BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:Probing phase transitions of metal-organic frameworks by THz/Far-I R DTSTART;VALUE=DATE-TIME:20201119T044000Z DTEND;VALUE=DATE-TIME:20201119T050000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4064@events01.synchrotron.org.au DESCRIPTION:Speakers: JINGWEI HOU (Uni of Queensland)\nCurrent research on metal–organic frameworks (MOFs) has concentrated predominantly on the p roperties of ordered crystalline phases. However\, there is growing recogn ition of the importance of the physical properties of MOFs. In particular\ , the role of disorder\, defects\, and structural flexibility in installin g beneficial physical behaviour is now widely studied. We synthesised four novel crystalline zeolitic imidazolate framework (ZIF) structures using a mixed-ligand approach. The inclusion of both imidazolate and halogenated benzimidazolate-derived linkers leads to glass-forming behaviour by all fo ur structures. Melting temperatures are observed to depend on both electro nic and steric effects. In situ THz/far-IR spectroscopic techniques reveal the dynamic structural properties of crystal\, glass\, and liquid phases of the halogenated ZIFs\, linking the melting behaviour of ZIFs to the pro pensity of the ZnN4 tetrahedra to undergo thermally induced deformation.\n \nhttps://events01.synchrotron.org.au/event/122/contributions/4064/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/4064/ END:VEVENT BEGIN:VEVENT SUMMARY:Opening and Organisational Update DTSTART;VALUE=DATE-TIME:20201118T220000Z DTEND;VALUE=DATE-TIME:20201118T223000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4061@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Peele (Australian Synchrotron)\, Michael Jame s (Australian Synchrotron)\nhttps://events01.synchrotron.org.au/event/122/ contributions/4061/ LOCATION:Zoom Webinar Room URL:https://events01.synchrotron.org.au/event/122/contributions/4061/ END:VEVENT BEGIN:VEVENT SUMMARY:Jumping molecular crystals: the role of molecular vibrations DTSTART;VALUE=DATE-TIME:20201120T040500Z DTEND;VALUE=DATE-TIME:20201120T043500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4055@events01.synchrotron.org.au DESCRIPTION:Speakers: Annette Dowd ()\nAuthors: A. Dowd\, C. Ellis\, A. An geloski.\nAffiliations: Faculty of Science\, University of Technology Sydn ey\; Department of Chemistry\, University of Otago.\nWhile we are familiar with the concept of the conversion of thermal energy to mechanical work\, there is a little known class of materials known as thermosalient or jump ing crystals which can spectacularly turn a small temperature change into a high speed leap\, many times their own length.\nThese materials might le ad to some exciting new options for the creation of microscopic machines. The jumping and other movement is usually associated with a rapid single c rystal-single crystal phase transition. Unfortunately the confusing mix of explanations in the literature shows that this phenomenon is poorly under stood\, which hinders the crystal engineering required to explore technica l applications.\nThe classic approach in studying such materials is to use diffraction to determine the crystal structure\, however vibrational spec troscopy can be used to complement this information particularly from a dy namical aspect\, revealing more about the nature of the phase transition.\ nIn this presentation I will present a case study on the newly discovered jumping crystal\, nickel dithiocarbamate (Ni:DTC). I will briefly outline the current thinking on SCSC phase transitions in molecular crystals. Meas urements of phonon and intramolecular vibrational modes from the THz – F ar Infrared beamline using the variable temperature cryostat will be prese nted. Interpretation was guided with Crystal17 modelling using periodic de nsity functional theory so lattice modes could be calculated. Calculations were based on structures determined by single crystal diffraction.\n\nhtt ps://events01.synchrotron.org.au/event/122/contributions/4055/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/4055/ END:VEVENT BEGIN:VEVENT SUMMARY:The Evolution of Electronic Complexity in Biology: 2p3d and 1s3p R IXS of Iron-Sulfur Clusters DTSTART;VALUE=DATE-TIME:20201119T050000Z DTEND;VALUE=DATE-TIME:20201119T060000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4057@events01.synchrotron.org.au DESCRIPTION:Speakers: Serena DeBeer ()\nThe Evolution of Electronic Comple xity in Biology: 2p3d and 1s3p RIXS of Iron-Sulfur Clusters \nSerena DeBee r*1\n1 Max Planck Institute for Chemical Energy Conversion\, Stiftstr. 34- 36\, Mülheim an der Ruhr\, D-45470\, Germany\n\n*e-mail: serena.debeer@ce c.mpg.de\n\n\n \n\nIron sulfur proteins are ubiquitous in nature\, perform ing essential roles in electron transfer processes\, redox chemistry\, reg ulatory sensing and catalysis. The metal active sites of these proteins ra nge from simple single iron sites to complex eight iron clusters. Perhaps the most complex iron sulfur cluster that has been identified to date is t he iron molybdenum cofactor (or FeMoco) of nitrogenase\, which is capable of cleaving the strong triple bond of dinitrogen. The fundamental question that arises is how does nature evolve complexity in order to enable chall enging transformations? In our view\, a deeper understanding of the comple x geometric and electronic structure of iron sulfur clusters requires the pursuit of novel experimental approaches for integrating their electronic structure in a detailed and quantitative fashion. To this end\, we are app lying both 2p3d and 1s3p resonant inelastic X-ray scattering (2p3d RIXS)\, in order to obtain deeper insights into the electronic structure of these important clusters. These data provide an experimental measure of the d-d transitions and allow for more detailed insights into the nature of the m ultiplet structure. The utility of these methods for understanding the ele ctronic structure of nitrogenase will be highlighted. The challenges that RIXS spectroscopy presents for theoretical modeling will also be discussed .\n\nhttps://events01.synchrotron.org.au/event/122/contributions/4057/ LOCATION:Zoom Webinar Room URL:https://events01.synchrotron.org.au/event/122/contributions/4057/ END:VEVENT BEGIN:VEVENT SUMMARY:Non-invasive imaging of hydraulic function in leaves\, stems and r oots DTSTART;VALUE=DATE-TIME:20201119T230000Z DTEND;VALUE=DATE-TIME:20201119T233000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4052@events01.synchrotron.org.au DESCRIPTION:Speakers: Brendan Choat ()\nPlants have evolved a water transp ort system that relies on water sustaining a tensile force. Counter intuit ively\, this means water moves through the plant as a liquid under negativ e absolute pressures. This mechanism is made possible by the intricate plu mbing system that constitutes the xylem tissue of plants. However\, water under tension is prone to cavitation\, which results in the formation of a gas bubble (embolism). Embolism reduces the capacity of the xylem tissue to deliver water to the canopy\, eventually causing dieback and whole plan t mortality. Xylem embolism is exacerbated by environmental stresses and i s now considered one of the leading causes of plant mortality resulting fr om drought stress. Non-invasive imaging techniques offer the potential to make direct observations on intact plants at high resolution and in real t ime. In this presentation\, I discuss recent exciting developments in the application of non-invasive imaging technologies such as X-ray Micro Compu ted Tomography (microCT) and optical imaging to studies of plant vascular function. This includes visualisation of xylem networks during drought str ess and recovery in leaves\, stems and roots. MicroCT imaging of stems and roots indicated that significant embolism formation occurs at similar tim e points and levels of water stress in dehydrating plants. This result was observed in herbaceous and woody species\, and is surprising given previo us hydraulic measurements indicating that\, within a plant\, roots were mo re vulnerable to drought-induced embolism than stems. A newly developed op tical technique indicates that leaf vasculature is also similar in vulnera bility to stems and roots. The overlap in vulnerability suggests that indu ction of embolism occurs at the same time in different organs or is propag ated rapidly through the plant. In examining recovery from drought stress\ , we saw little evidence of embolism refilling in the xylem of woody plant s\, except in cases where substantial root pressure is produced. These res ults suggest that embolism refilling is less widespread than previously th ought.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/4052 / LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/4052/ END:VEVENT BEGIN:VEVENT SUMMARY:Metal Nanoparticle Radiosensitization for Improving Radiotherapy DTSTART;VALUE=DATE-TIME:20201119T035000Z DTEND;VALUE=DATE-TIME:20201119T042000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4050@events01.synchrotron.org.au DESCRIPTION:Speakers: Ivan Kempson ()\nIvan Kempson1\, Douglass Howard1\, Tyron Turnbull1\n1 Future Industries Institute\, University of South Austr alia\, SA\, 5095\nCorresponding Author: Ivan.Kempson@unisa.edu.au\nMetal nanoparticles have gained market approval for enhancing the effects of ion izing radiation in radiotherapy treatment of cancer. However the mechanism of action of metal nanoparticles exerting their effect remain controversi al and poorly elucidated. We have developed a methodology inspired by Qual ity-by-Design principals to investigate the structure-function relationshi p of nanoparticle parameters with radiobiological effect. \nA cross-correl ative methodology was developed to measure biological parameters such as t he number of DNA breaks in single cells after irradiation with clinical X- ray sources coupled with quantitative analysis of the number nanoparticles in the same individual cells with XRF. A major challenge in identifying m echanisms is the massive degree of heterogeneity between cells.1\nSub-cell ular populations were identified and radiobiological response was determin ed for individual cells as a function of the number of nanoparticles in th e same cells. The data is continuing to reveal many insightful aspects of nanoparticle-cell interactions and the consequence these have on radiobiol ogical response of cancer cells. Importantly\, a number of biological mech anisms exist that not only sensitize cells but can actually de-sensitize c ells. These mechanisms contravene the physical concepts of radiosensitizat ion. Nanoparticle uptake is highly heterogeneous and the observations made in our research cannot be deduced by conventional bulk assays. Biological mechanisms\, such as down regulating proteins involved in DNA damage repa ir\, lead to preferential sensitization of the most radio-resistant S-phas e cells which act as a negative prognostic factor for many indications.2 D espite metal nanoparticles entering clinical use\, we highlight many quest ions that remain in how they exert their function. Our research is reveali ng these mechanisms and will enable optimization of radiosensitizer formul ations. \nReferences\n1 – T Turnbull\, B Thierry\, I Kempson. A Quantita tive Study of Intercellular Heterogeneity in Gold Nanoparticle Uptake acro ss Multiple Cell Lines\, Analytical Bioanalytical Chemistry\, 411(28)\, 75 29-7538\, 2019.\n2 - T Turnbull\, M Douglass\, N Williamson\, D Howard\, R Bhardwaj\, M Lawrence\, D Paterson\, E Bezak\, B Thierry\, I Kempson\, Cr oss-Correlative Single-Cell Analysis Reveals Biological Mechanisms of Nano particle Radiosensitization\, ACS Nano\, 13(5)\, 5077-5090\, 2019.\n\nhttp s://events01.synchrotron.org.au/event/122/contributions/4050/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/4050/ END:VEVENT BEGIN:VEVENT SUMMARY:Separating Macro- and Nano-structural Effects in Intensity Correla tion Measurements of Self-assembled Lipid Materials DTSTART;VALUE=DATE-TIME:20201120T003000Z DTEND;VALUE=DATE-TIME:20201120T005000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-4027@events01.synchrotron.org.au DESCRIPTION:Speakers: Jack Binns (RMIT University)\nBy correlating large e nsembles of X-ray scattering data\, fluctuation X-ray scattering can extra ct atomic and nanoscale structural information from a range of systems inc luding colloidal glasses and crystals\, liquid-crystal membranes\, nanopar ticles\, and magnetic domains [1-4]. Real-space pair-angle distribution fu nctions are higher order analogues of the basic pair-distribution function s and are rich in information about orientation and bond angles. This meth od maps fluctuations of scattered intensity into three- and four-atom corr elation functions which encode two pairwise distances and one relative ang le [5-7]. \n\nHere we present results of fluctuation scattering experimen ts on the inverted hexagonal phase of a model self-assembled lipid system (cetyltrimethylammonium bromide-water). Using newly developed semiautomate d algorithms for big datasets (>1000 patterns) we uncover a macroscopic pr eferred orientation effect which masks the nano-structural signal due to i ntensity fluctuations. Texture phenomena such as a preferred orientation\, strain and peak broadening are commonly encountered throughout materials science. By simulating distorted datasets\, we explore how correlation plo ts are altered by macroscale effects and present methods for disentangling structural information at these two length scales\, broadening the range of materials and phase transitions amenable to fluctuation scattering anal ysis. \n\n[1] P. Wochner\, C. Gutt\, T. Autenrieth\, T. Demmer\, V. Bugaev \, A. D. Ortiz\, A. Duri\, F. Zontone\, G. Grübel\, and H. Dosch\, Procee dings of the National Academy of Sciences of the United States of America 106\, 11511–11514 (2009). \n\n[2] I. A. Zaluzhnyy\, R. P. Kurta\, N. Muk haramova\, Y. Y. Kim\, R. M. Khubbutdinov\, D. Dzhigaev\, V. V. Lebedev\, E. S. Pikina\, E. I. Kats\, N. A. Clark\, M. Sprung\, B. I. Ostrovskii\, a nd I. A. Vartanyants\, Physical Review E 98\, 1–8 (2018). \n\n[3] R. P. Kurta\, L. Wiegart\, A. Fluerasu\, and A. Madsen\, IUCrJ 6\, 635–648 (20 19). \n\n[4] R. Su\, K. A. Seu\, D. Parks\, J. J. Kan\, E. E. Fullerton\, S. Roy\, and S. D. Kevan\, Physical Review Letters 107\, 16–19 (2011). \ n\n[5] A. V. Martin\, IUCrJ 4\, 24–36 (2017) \n\n[6] Martin\, A. V\, et al.\, Communications Materials\, 1(40)\, 1–8 (2020) \n\n[7] Martin\, A. V.\, Bøjesen\, E. D.\, Petersen\, T. C.\, Hu\, C.\, Biggs\, M. J.\, Weyla nd\, M.\, & Liu\, A. C. Y.\, Small\, 2000828\, 1–6. (2020)\n\nhttps://ev ents01.synchrotron.org.au/event/122/contributions/4027/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/4027/ END:VEVENT BEGIN:VEVENT SUMMARY:Spectroscopic Studies of Brain Zinc Homeostasis and Its Role Durin g Cognitive Decline and Ageing DTSTART;VALUE=DATE-TIME:20201119T000000Z DTEND;VALUE=DATE-TIME:20201119T002000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3997@events01.synchrotron.org.au DESCRIPTION:Speakers: Ashley Hollings (Curtin University\, Bentley Western Australia 6845\, Australia)\nThe greatest risk factor for dementia is age ing. With no cure or effective therapies to slow progression\, and with an ageing population\, dementia has reached crisis levels in Australia. The content and distribution of metals such as Fe\, Cu\, Zn is known to change in the ageing brain (metal dis-homeostasis)(1\, 2)\, and thus\, increased understanding of the mechanistic role of metal dis-homeostasis may illumi nate new therapeutic strategies. Specifically\, Zn homeostasis and dis-hom eostasis appears to be a potent modulator of memory function (3-5)\, yet\, the exact chemical form(s) of Zn that are vital to memory function are un known (6\,7). Development of new spectroscopic methods to image different chemical forms of Zn may help increase understanding of Zn-modulated memor y function and dysfunction. There are currently no available imaging proto cols to differentiate between different chemical forms of Zn\, however\, s ubstantive evidence supports that X-ray absorption techniques could provid e such capability (8-10). Recently\, our group has utilised X-ray absorpti on spectroscopy (XAS) to build a spectroscopic library of Zn compounds tha t reflects the chemical forms of Zn likely to be present in the brain. Pre liminary analysis has revealed that XAS is able to differentiate between m ultiple Zn compounds across anatomically separate brain regions (Figure 1) . Future experiments hope to reveal which Zn compounds change\, in which b rain regions\, during ageing or neuorodegenerative disease. Such insights into whether specific types of zinc are affected with ageing may reveal me chanisms contributing to cognitive decline\, in turn presenting potential pathways for targeted therapeutic interventions.\n\n1. Zecca L\, Zucca FA\ , Toscani M\, Adorni F\, Giaveri G\, Rizzio E\, et al. Iron\, copper and t heir proteins in substantia nigra of human brain during aging. Journal of Radioanalytical and Nuclear Chemistry. 2005\; 263(3):733-737. \n2. Ramos P\, Santos A\, Pinto NR\, Mendes R\, Magalhães T\, Almeida A. Anatomical Region Differences and Age-Related Changes in Copper\, Zinc\, and Manganes e Levels in the Human Brain. Biological Trace Element Research. 2014\; 161 (2):190-201. \n3. Takeda A. Significance of Zn2+ signaling in cognition: Insight from synaptic Zn2+ dyshomeostasis. Journal of Trace Elements in Me dicine and Biology. 2014\; 28(4):393-396. \n4. Huang EP. Metal ions and s ynaptic transmission: Think zinc. Proceedings of the National Academy of Sciences [10.1073/pnas.94.25.13386]. 1997\; 94(25):13386. Available from: http://www.pnas.org/content/94/25/13386.abstract.\n5. Nakashima AS\, Dyck RH. Enhanced Plasticity in Zincergic\, Cortical Circuits after Exposure t o Enriched Environments. The Journal of Neuroscience [10.1523/JNEUROSCI.46 45-08.2008]. 2008\; 28(51):13995. Available from: http://www.jneurosci.org /content/28/51/13995.abstract.\n6. Sato S\, Frazier J\, Goldberg A. The di stribution and binding of zinc in the hippocampus. Journal of Neuroscience . 1984\; 4(6):1662-1670.\n7. Frederickson C\, Suh S\, Silva D\, Thompson R . Importance of Zinc in the Central Nervous System: The Zinc-Containing Ne uron. Journal of Nutrition. 2000\; 130(5):1471S-1483S. \n8. Hackett M\, P aterson P\, Pickering I\, George G. Imaging Taurine in the Central Nervous System Using Chemically Specific X-ray Fluorescence Imaging at the Sulfur K-Edge. Analytical Chemistry 18(22):10916-10924. \n9. James SA\, Roberts BR\, Hare DJ\, de Jonge MD\, Birchall IE\, Jenkins NL\, et al. Direct in vivo imaging of ferrous iron dyshomeostasis in ageing Caenorhabditis elega ns. Chemical Science [10.1039/C5SC00233H]. 2015\; 6(5):2952-2962. \n10. S alt DE\, Prince RC\, Baker AJM\, Raskin I\, Pickering IJ. Zinc Ligands in the Metal Hyperaccumulator Thlaspi caerulescens As Determined Using X-ray Absorption Spectroscopy. Environmental Science & Technology. 1999\; 33(5): 713-717.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/39 97/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3997/ END:VEVENT BEGIN:VEVENT SUMMARY:Adventures in Biomedical Research Through Synchrotron Science DTSTART;VALUE=DATE-TIME:20201119T220000Z DTEND;VALUE=DATE-TIME:20201119T230000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3996@events01.synchrotron.org.au DESCRIPTION:Speakers: Peter Lay (The University of Sydney)\nPeter A. Lay\n School of Chemistry and Sydney Analytical\, the University of Sydney\n\nWi th each decade of my research in synchrotron science that began in the mid 1990’s came multiple new developments in beamline technologies that mad e experiments in biomedical research possible that could only be dreamed a bout a short time beforehand. This\, in turn\, opened up many new possibi lities in groundbreaking biomedical research that have placed synchrotron science at the forefront of providing previously inaccessible information on mechanisms of both disease processes and drug treatments.\nIn this lect ure\, I will discuss key developments and applications of synchrotron scie nce in areas such as: (i) the use of multiple scattering analysis of EXAFS for 3D structural information on unstable proteins and species related to understanding protein structure\, and mechanisms of disease processes\; ( ii) XANES for probing metallodrug speciation under biologically relevant c onditions\; (iii) XFM and micro-XANES for understanding the biodistributio ns and speciation of elements in cells and tissues related to the roles of metals in diseases and the development of new metallodrugs\; and (iv) the use of infrared microscopy to understand changes in the biochemistry of c ells and tissues to provide information on the mechanisms of disease proce sses (brain\, cardiovascular\, etc.) and their treatments.\n\nhttps://even ts01.synchrotron.org.au/event/122/contributions/3996/ LOCATION: Zoom Webinar Room URL:https://events01.synchrotron.org.au/event/122/contributions/3996/ END:VEVENT BEGIN:VEVENT SUMMARY:Synchrotron-based X-ray diffraction and spectroscopy for metal-ion battery material studies DTSTART;VALUE=DATE-TIME:20201120T015000Z DTEND;VALUE=DATE-TIME:20201120T023500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3995@events01.synchrotron.org.au DESCRIPTION:Speakers: Wei Kong Pang ()\nInstitute for Superconducting and Electronic Materials\, University of Wollongong\, NSW 2500\, Australia.\nE mail: wkpang@uow.edu.au\n\nThe commercialisation of lithium-ion batteries (LIBs) has gained huge success and LIBs are taking an important part of ou r daily modern life\, as confirmed by the prestigious award of the 2019 No bel Prize in Chemistry. Owing to the limited abundance of lithium\, other metal-ion batteries (MIBs)\, such as zinc-\, sodium-\, and potassium-ion b atteries\, with similar working mechanism\, have also been studied and dev eloped as alternatives. Compared with other energy storages\, MIBs are rel atively less predictable due to the complex reactions occurred on the bulk and surface of electrodes\, as well as other battery components\, such as electrolyte\, during electrochemical processes. During charge and dischar ge\, the intercalation and de-intercalation processes of metal ions (i.e. lithium ions) happening in the electrodes are very complex\, involving the evolutions of phase\, structure\, composition\, as well as morphology\, w ith these processes underpinning electrochemical function and performance of the battery. Therefore\, a mechanistic understanding of the reaction pa thways\, i.e. the atomistic and molecular-scale origin of battery performa nce\, will enable the rational improvement of electrode materials and pave the way for entirely new battery systems\, and in-situ in-operando synchr otron-based X-ray powder diffraction (XRPD) with high brightness and tunea ble wavelength is an extremely powerful tool to obtain this crucial unders tanding. \nOn the other hand\, X-ray absorption spectroscopy (XAS) could b e used to detect the electronic structure of certain ions within the activ e materials in the battery\, especially helpful to investigate the element s with electrochemical activities. Transmission X-ray microscopy (TXM) can be employed to probe the electrode morphological changes during charge an d discharge\, linking to the electrochemical performance of the materials. Infra-red microscopy (IRM) is also found to be a powerful analytical meth od\, allowing the characterisation of the chemical information and their d istribution of solid-electrolyte interphase formed on the electrode surfac e. By correlating the chemical information with data obtained from other t echniques\, additional insights into their mechanism\, which is critical f or further development\, can be gained.\nIn this presentation\, I will int roduce the research work in our team and showcase some examples of these m echanistic and crystallographic research\, demonstrating the important rol e of synchrotron-based X-ray scattering in battery research.\n\nhttps://ev ents01.synchrotron.org.au/event/122/contributions/3995/ LOCATION: Zoom Webinar Room URL:https://events01.synchrotron.org.au/event/122/contributions/3995/ END:VEVENT BEGIN:VEVENT SUMMARY:Further insights into the effect of pH on the fluorescence and str ucture of green fluorescent protein (GFP) DTSTART;VALUE=DATE-TIME:20201120T055500Z DTEND;VALUE=DATE-TIME:20201120T061500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3993@events01.synchrotron.org.au DESCRIPTION:Speakers: Nathalia V. dos Santos (São Paulo State University\ , Brazil / RMIT University\, Australia)\nThe Enhanced Green Fluorescent Pr otein (EGFP) has intense and natural fluorescence\, and is biocompatible w ith a diversity of biological systems\, which makes it promising for use i n the development of biosensors. However\, this commercial application is limited\, mainly due to the high cost and lack of knowledge about EGFP sta bility under stress conditions. Although studies have been done into EGFP stability at different pH\, they mostly only show the presence or lack of fluorescence\, with no in-depth structural evaluations or analysis of the reversibility of the process. Bridging this knowledge gap can allow the de velopment of novel biocompatible pH-biosensors for medical use\, which can help in monitoring different diseases that are known for altering the pH of the affected areas\, such as certain tumors and synovial diseases. Henc e\, the objective of this work was to evaluate the effect of pH on the flu orescence activity and structure of EGFP to assist in the development of b iosensors. \nIn this study\, EGFP was exposed to different pH for 30 min a nd evaluated by circular dichroism\, fluorescence spectroscopy (2D and 3D) \, intrinsic fluorescence\, small-angle X-ray scattering (SAXS) in well-pl ates\, and with size-exclusion chromatography (SEC-SAXS). Then\, the pH of each sample was adjusted until the solution reached neutrality (pH 7.4)\, and after 60 min\, EGFP was again evaluated by the same techniques. It wa s determined that EGFP is highly stable at neutral-alkaline pH (7.4 to 13. 0)\, has a small fluorescence quenching at slightly acidic pH (6.0 and 5.0 ) and total quenching at pH ≤ 4.0. At pH 6.0\, the fluorescence was almo st completely recovered with the return of the pH to neutral\, however\, f rom pH values of 5.0 to 2.0\, the fluorescence was only partially recovere d. In addition\, at pH 6.0 there was no change in the secondary and tertia ry structure of EGFP (as observed by CD\, SAXS\, and SEC-SAXS) because the fluorescence quenching was only the result of reversible changes caused b y protonation\, considering the isoelectric point of the protein is 6.2. B etween pH 5.0 to 2.0\, the results indicate that there were structural cha nges at tertiary and secondary levels\, hence EGFP recovery was only parti al. Therefore\, it is possible to conclude EGFP fluorescence is highly dep endent on pH\, exhibiting reversible changes in conformation between pH 6. 0 and 7.0\, and irreversible structural changes at pH ≤ 5.0. These prope rties make EGFP a very promising biomolecule for the development of novel acidic-to-basic pH-biosensors.\n**Keywords:** Green Fluorescent Protein\, pH Stability\, Biosensors\, Circular Dichroism\, SAXS.\n**Financial suppor t:** FAPESP (2014/16424-7\; 2014/19793-3\; 2018/50009-8\; 2018/01858-2\; 2 016/07529-5\; 2018/20833-0)\, CAPES 001\, CNPq and RMIT University.\n\nhtt ps://events01.synchrotron.org.au/event/122/contributions/3993/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3993/ END:VEVENT BEGIN:VEVENT SUMMARY:Full-field tomography with scattered X-rays DTSTART;VALUE=DATE-TIME:20201120T053500Z DTEND;VALUE=DATE-TIME:20201120T055500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3992@events01.synchrotron.org.au DESCRIPTION:Speakers: Gary Ruben (Monash University)\nX-ray absorption ima ging relies on transmitted photons being absorbed by the subject. As a nat ural consequence\, X-rays are also scattered in significant quantities in all directions. This makes it potentially feasible to do tomography and ob tain 3D volumetric information by capturing photons using detectors placed around the subject. Scatter tomography has previously been attempted with pencil and sheet beam illumination\, in order to limit the multiple-scatt ering of photons\, which generates an unwanted background signal. At energ ies suitable for preclinical imaging\, multiple-scattering is less problem atic\, making it possible to imagine doing tomography even with full-field X-ray illumination. With the aim of augmenting our existing full-field 2D imaging experiments with additional scatter detectors\, we pursued this p ossibility. Here we present what we believe are the first successful X-ray Scatter Tomography experiments using full-field illumination\, performed in 2019 at the Imaging & Medical Beamline\, of the chest of a juvenile rat \, achieving sufficient resolution for segmentation of the lung and major airways.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/39 92/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3992/ END:VEVENT BEGIN:VEVENT SUMMARY:Macrocyclic peptides as the novel chemical probes for modulating t he function of the Retromer endosomal trafficking complex DTSTART;VALUE=DATE-TIME:20201120T051500Z DTEND;VALUE=DATE-TIME:20201120T053500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3994@events01.synchrotron.org.au DESCRIPTION:Speakers: Kai-En Chen (The University of Queensland\, Institut e for Molecular Bioscience)\nMaintenance of appropriate levels of endocyti c trafficking and subsequent sorting in endosomes is essential for every a spect of cellular life. The evolutionarily conserved Retromer complex (com posed of VPS35-VPS26-VPS29) is a central hub responsible for this process in endosomal compartments in all eukaryotes. It is known that mutations in Retromer complex can cause late-onset Parkinson’s disease\, and can als o be hijacked by viral and bacterial pathogens during cellular infection. Seeking tools to modulate Retromer function would provide new avenues in u nderstanding Retromer function and the associated diseases. Here we employ ed the random nonstandard peptides integrated discovery (RaPID) approach t o identify a group of macrocyclic peptides capable of binding to Retromer with high affinity and specificity. Our crystal structures show that five of the macrocyclic peptides bind to Vps29 via a di-peptide Pro-Leu sequenc e. Interestingly\, these peptides structurally mimic known interacting pro teins including TBC1D5\, VARP\, and the bacterial effector RidL\, and pote ntly inhibit their interaction with Retromer in vitro and in cells. Furthe r analysis using cryo-electron microscopy (CryoEM) and mutagenesis showed that a unique macrocyclic peptide binds Retromer at the interface between Vps35 and Vps26 subunits and can act as a molecular chaperone to stabilise the complex with minimal disruptive effects on Retromer’s ability to in teract with its accessory proteins. Finally\, using reversible cell permea bilization approach\, we demonstrate that both the Retromer inhibiting and stabilizing macrocyclic peptides can specifically co-label Vps35-positive endosomal structures\, and can be used as baits for purifying Retromer fr om cells and subsequent proteomic analyses. We believe these macrocyclic p eptides can be used as a novel toolbox for the study of Retromer-mediated endosomal trafficking\, and sheds light on developing novel therapeutic mo difiers of Retromer function.\n\nhttps://events01.synchrotron.org.au/event /122/contributions/3994/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3994/ END:VEVENT BEGIN:VEVENT SUMMARY:Synchrotron macro ATR-FTIR: where we are and what's next for live- cell measurement DTSTART;VALUE=DATE-TIME:20201120T045500Z DTEND;VALUE=DATE-TIME:20201120T051500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3990@events01.synchrotron.org.au DESCRIPTION:Speakers: Jitraporn (Pimm) Vongsvivut (ANSTO - Australian Sync hrotron)\n**Abstract** \nThis presentation aims to provide a summary on th e recent applications of our synchrotron macro ATR-FTIR microspectroscopy\ , unique to the Australian Synchrotron’s Infrared Microspectroscopy (IRM ) beamline. The technique provides molecular information with sub-cellular resolution down to 1-2 μm beyond the resolution limit allowed for standa rd synchrotron-FTIR setups and further simplifies otherwise complicated sa mple preparation [1]. Since the technique was made available for users in 2016\, this high-resolution chemical mapping capability has facilitated di verse experiments on the beamline expanding its applications into many new areas. Some of the recent examples include novel environmental sustainabl e geopolymer concretes [2\,3]\, archaeological bones [4] and spider silk c ross-sections [5].\nThe second part of the presentation will highlight fur ther development of the macro ATR-FTIR technique specifically for *live-ce ll* measurement in an aqueous environment. Through the collaboration with the SMIS beamline at SOLEIL (France)\, we undertook a beamtime experiment using their inverted ATR-FTIR accessory to acquire spectra from *live* red blood cells. The experience and knowledge gained from this international beamtime experiment\, together with the effort from our mechanical enginee ring team\, have resulted in an optical design to be developed into the fi rst prototype of ATR-FTIR setup for *live-cell* measurement.\n\n**Acknowle dgement** \nWe would like to acknowledge the financial support from Intern ational Synchrotron Access Program (ISAP No. AS/IA182/14167) to perform th e live-cell ATR-FTIR experiment at SOLEIL’s SMIS beamline (Proposal ID. 20180157).\n\n**References** \n[1] J. Vongsvivut\, D. Pérez-Guaita\, B. R . Wood\, P. Heraud\, K. Khambatta\, D. Hartnell\, M. J. Hackett\, and M. J . Tobin\, “Synchrotron Macro ATR-FTIR Microspectroscopy for High-Resolut ion Chemical Mapping of Single Cells\,” *Analyst* **144**\, 10\, 3226-32 38 (2019).\n[2] A. Hajimohammadi\, T. Ngo\, J. L. Provis\, T. Kim\, and J. Vongsvivut\, “High Strength/Density Ratio in a Syntactic Foam Made from One-Part Mix Geopolymer and Cenospheres\,” *Composites Part B*\, **173* *\, 106908 (2019).\n[3] A. Hajimohammadi\, T. Ngo\, and J. Vongsvivut\, “Interfacial Chemistry of a Fly Ash Geopolymer and Aggregates\,” *Jour nal of Cleaner Production*\, **231**\, 980-989 (2019).\n[4] J. J. Miszkiew icz\, C. Rider\, S. Kealy\, C. Vrahnas\, N. A. Sims\, J. Vongsvivut\, M. J . Tobin\, M. J. L. A. Bolunia\, A. S. De Leon\, A. L. Peñalosa\, P. S. Pa gulayan\, A. V. Soriano\, R. Page\, and M. F. Oxenham\, “Asymmetric Mids haft Femur Remodelling in an Adult Male with Left Sided Hip Joint Ankylosi s\, Metal Period Nagsabaran\, Philippines\,” *International Journal of P alaeopathology*\, **31**\, 14 (2020).\n[5] C. Haynl\, J. Vongsvivut\, K. R . H. Mayer\, H. Bargel\, V. J. Neubauer\, M. J. Tobin\, M. A. Elgar\, and T. Scheibel\, “Dimensional Stability of a Remarkable Spider Foraging Web Achieved by Synergistic Arrangement of Silk Fibers\,” accepted for publ ication in *Scientific Reports* (2020).\n\nhttps://events01.synchrotron.or g.au/event/122/contributions/3990/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3990/ END:VEVENT BEGIN:VEVENT SUMMARY:Using Synchrotron Sourced Microscopy to Explore Fingermark Chemist ry DTSTART;VALUE=DATE-TIME:20201120T043500Z DTEND;VALUE=DATE-TIME:20201120T045500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3989@events01.synchrotron.org.au DESCRIPTION:Speakers: Rhiannon Boseley (Curtin University)\nThe successful detection of latent fingermarks is crucial to forensic investigations\, h owever detection methods can be hindered by variation in response or lack of robustness. Despite ongoing research into fingermark development\, many remain undetected(1). A fundamental understanding of fingermark chemistry can provide explanations for the effectiveness or lack thereof for curren t detection methods and drive development of improved techniques. \nWe hav e combined synchrotron sourced Fourier Transform Infrared (FTIR) and X-ray Fluorescence Microscopy (XFM) to reveal the spatial distribution of the m olecular and elemental components within latent fingermarks. FTIR showed t hat fingermarks have a complex heterogeneous distribution of organic mater ial\, our research focussing primarily on visualising the lipid and amino acid distribution at the sub-micron scale (2). Recent time-course studies have imaged the rate which freshly deposited fingermarks dry\, with the re sults reinforcing the chemical heterogeneity of latent fingermarks and dem onstrate how differences in composition appear to influence drying rates a nd redistribution of lipid material during drying. \nWe used XFM to explor e the inorganic components within fingermark residue. The distribution of trace metals including endogenous trace metals (Fe\, Cu\, Zn)\, diffusibl e ions (Cl−\, K+\, Ca2+)\, and exogeneous metals (Ni\, Ti) have been ima ged across multiple donors (see Figure 1) (3). Further experiments have ex plored the effects of the external environment on these metals post deposi tion\, and the transfer of exogenous metals prior to deposition. \nWith th ese techniques\, we have begun to have a better understanding of the chemi cal complexity and transfer processes associated with latent fingermarks\, thus providing the essential fundamental underpinning for the development of improved detection methods. \n\n\n1. S. Chadwick\, S. Moret\, N. Jayas hanka\, C. Lennard\, X. Spindler and C. Roux\, Forensic Science Internatio nal\, 2018\, 289\, 381-389.\n2. B. N. Dorakumbura\, R. E. Boseley\, T. Bec ker\, D. E. Martin\, A. Richter\, M. J. Tobin\, W. van Bronswjik\, J. Vong svivut\, M. J. Hackett and S. W. Lewis\, Analyst\, 2018\, 143\, 4027-4039. \n3. R. E. Boseley\, B. N. Dorakumbura\, D. L. Howard\, M. D. de Jonge\, M . J. Tobin\, J. Vongsvivut\, T. T. M. Ho\, W. van Bronswijk\, M. J. Hacket t and S. W. Lewis\, Analytical Chemistry\, 2019\, 91\, 10622-10630.\n\nhtt ps://events01.synchrotron.org.au/event/122/contributions/3989/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3989/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural plasticity between homo and heterodimeric IRF4-DNA Inte ractions DTSTART;VALUE=DATE-TIME:20201120T045500Z DTEND;VALUE=DATE-TIME:20201120T051500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3984@events01.synchrotron.org.au DESCRIPTION:Speakers: Srinivasan Sundararaj (Australian National Universit y)\nInterferon regulatory factor 4 (IRF4) is a transcription factor (TF) t hat regulates the gene expression of immune cells including T cells and B cells. Due to its critical role in B and T cell development\, IRF4 is link ed directly to numerous immune-related disease conditions including B cell -related chronic lymphocytic leukemia (CLL) and adult T cell leukemia (ATL ) (1). Structurally\, IRF4 consists of two conserved domains\; an N-termin al DNA binding domain and the C-terminal IRF-association domain and binds the target DNA as either homo or heterodimer. Notably\, it binds the canon ical interferon-stimulated response elements (ISRE) DNA motif as a homodim er and regulates the expression of genes involved in interferon stimulatio n. Despite the significance of this association\, the mechanistic basis un derpinning this pivotal molecular interaction remains unknown. Through X-r ay crystallography and surface plasmon resonance\, we now provide the stru ctural basis of this interaction. Our study has identified a head to tail orientation in IRF4-ISRE interaction\, with each monomer docking the oppos ite face of the DNA. We also found a substantial bending in DNA to accommo date α3 recognition helix directly on the major groove with no observed i ntermolecular interaction between the bound monomers. This markedly contra sts heterodimeric form where DNA bound IRF4 is shown to physically interac t with other TFs to regulate the target gene expression (2). Notably\, we also identified that the disease-causing mutations (3\,4) could bind direc tly to DNA as evidenced by their tighter binding affinities. Together\, ou r study provides a structural snapshot of IRF4 homo and heterodimers and i ts role in regulating the target gene expression thereby providing insight s into the basis of IRF4 mediated CLL and ATL pathogenesis.\nReferences\n1 . Hagman\, J. (2017) Critical Functions of IRF4 in B and T Lymphocytes. J Immunol 199\, 3715-3716\n2. Escalante\, C. R.\, Brass\, A. L.\, Pongubala\ , J. M.\, Shatova\, E.\, Shen\, L.\, Singh\, H.\, and Aggarwal\, A. K. (20 02) Crystal structure of PU.1/IRF-4/DNA ternary complex. Mol Cell 10\, 109 7-1105\n3. Havelange\, V.\, Pekarsky\, Y.\, Nakamura\, T.\, Palamarchuk\, A.\, Alder\, H.\, Rassenti\, L.\, Kipps\, T.\, and Croce\, C. M. (2011) IR F4 mutations in chronic lymphocytic leukemia. Blood 118\, 2827-2829\n4. Ch erian\, M. A.\, Olson\, S.\, Sundaramoorthi\, H.\, Cates\, K.\, Cheng\, X. \, Harding\, J.\, Martens\, A.\, Challen\, G. A.\, Tyagi\, M.\, Ratner\, L .\, and Rauch\, D. (2018) An activating mutation of interferon regulatory factor 4 (IRF4) in adult T-cell leukemia. J Biol Chem 293\, 6844-6858\n\nh ttps://events01.synchrotron.org.au/event/122/contributions/3984/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3984/ END:VEVENT BEGIN:VEVENT SUMMARY:COVID-19 Research at the MX Beamlines DTSTART;VALUE=DATE-TIME:20201120T055500Z DTEND;VALUE=DATE-TIME:20201120T061500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3987@events01.synchrotron.org.au DESCRIPTION:Speakers: Eleanor Campbell (ANSTO)\nFrom March 2020\, the Aust ralian Synchrotron joined the rest of Victoria in COVID-19 lockdown\, seve rely limiting the access to beamlines by staff and users. The MX beamlines stayed operational under a COVID-19 Rapid Access scheme\, developed to fa cilitate research into the SARS-Cov-2 virus. A number of user groups pivot ed their research interests to include SARS-Cov-2 proteins\, and human pro teins involved in the virus's progression and transmission. In this talk\, we present a general overview of the COVID-19 Rapid Access program\, some examples of research carried out using this beamtime\, and the plans for supporting COVID-19 research in an ongoing capacity.\n\nhttps://events01.s ynchrotron.org.au/event/122/contributions/3987/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3987/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural characterisation of mitochondrial complex IV assembly f actors DTSTART;VALUE=DATE-TIME:20201120T053500Z DTEND;VALUE=DATE-TIME:20201120T055500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3986@events01.synchrotron.org.au DESCRIPTION:Speakers: Shadi Maghool (School of Chemistry and The Bio21 Mol ecular Science and Biotechnology Institute\, The University of Melbourne\, Parkville\, Australia)\nCytochrome c oxidase or mitochondrial respiratory chain complex IV catalyses the transfer of electrons from cytochrome c in the intermembrane space\, to molecular oxygen in the matrix and therefore contributes to the proton gradient that drives mitochondrial ATP synthesi s. Complex IV dysfunction is a significant cause of human mitochondrial di sease. Complex IV requires the incorporation of three copper ions\, heme a and heme a3 cofactors for the assembly and activity of the complex. Compl ex IV assembly factors are required for subunit maturation\, co-factor inc orporation and stabilization of intermediate assemblies of complex IV in h umans. Loss-of-function mutations in several genes encoding complex IV ass embly factors have been shown to result in diminished complex IV activity and severe pathologic conditions in affected infants [1].\n\nOur study foc uses on two mitochondrial complex IV assembly factors\, Coa6 and Coa7\, th at are located in the intermembrane space of mitochondria and contain intr amolecular disulfide bonds. Coa6 binds copper with femtomolar affinity and has been proposed to play a role in the biogenesis of the CuA site of com plex IV [2\,3]. The W59C pathogenic mutation in Coa6 does not affect coppe r binding or import of the protein into mitochondria but affects the matur ation and stability of the protein [3\,4]. The precise role of Coa7 in the biogenesis of complex IV is not completely understood. However\, patients with Coa7 pathogenic mutations suffer from mitochondrial diseases owing t o complex IV deficiency. This presentation will describe the crystal struc tures of the Coa7 and Coa6 (wild-type and the W59C mutant) proteins and im plications for their roles in complex IV assembly and function. To elucida te the atomic structure of the WTCoa6\, W59CCoa6 and WTCoa7 proteins\, we crystallised and determined their structures to 1.65\, 2.18 and 2.40 Å re solution\, respectively by X-ray crystallography. Diffraction data were re corded at the Australian Synchrotron on beamline MX2. The crystal structur e of WTCoa6 was determined by sulfur single- wavelength anomalous dispersi on and the crystal structure of WTCoa7 and W59CCoa6 were solved by molecul ar replacement.\n\nReferences:\n\n[1] Timon-Gomez\, A.\, Nyvltova\, E.\, A briata\, L. A.\, Vila\, A. J.\, Hosler\, J.\, and Barrientos\, A. (2018) M itochondrial cytochrome c oxidase biogenesis: Recent developments\, Semina rs in cell & developmental biology 76\, 163-178.\n[2] Stroud\, D. A.\, Mah er\, M. J.\, Lindau\, C.\, Vögtle\, F. N.\, Frazier\, A. E.\, Surgenor\, E.\, … Ryan\, M. T. (2015). COA6 is a mitochondrial complex IV assembly factor critical for biogenesis of mtDNA-encoded COX2. Human molecular gene tics\, 24(19)\, 5404–5415. doi:10.1093/hmg/ddv265\n[3] Maghool\, S.\, Co oray\, N.\, Stroud\, D. A.\, Aragão\, D.\, Ryan\, M. T.\, & Maher\, M. J. (2019). Structural and functional characterization of the mitochondrial c omplex IV assembly factor Coa6. Life science alliance\, 2(5)\, e201900458. doi:10.26508/lsa.2019004583.\n[4] Maghool\, S.\, Ryan\, M. T.\, & Maher\, M. J. (2020). What Role Does COA6 Play in Cytochrome C Oxidase Biogenesis : A Metallochaperone or Thiol Oxidoreductase\, or Both?. International jou rnal of molecular sciences\, 21(19)\, E6983.\n\nhttps://events01.synchrotr on.org.au/event/122/contributions/3986/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3986/ END:VEVENT BEGIN:VEVENT SUMMARY:Molecular Interplay between SARS-CoV-2 and Human proteins for vira l activation and entry\, potential drugs and scope of new therapeutics DTSTART;VALUE=DATE-TIME:20201120T051500Z DTEND;VALUE=DATE-TIME:20201120T053500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3985@events01.synchrotron.org.au DESCRIPTION:Speakers: Naveen Vankadari (Monash University)\nThe pandemic C oronavirus Disease 2019 (COVID19) caused by SARS-CoV-2 is a serious public health concern with global mortality reaching 1 million. Whilst the searc h for a vaccine is underway\, there a several antiviral and antibody treat ments being clinically evaluated to fill the “therapeutic gap”. The de velopment of potential drugs requires an understanding of SARS-CoV-2 patho genicity and mechanism of action. Thus\, it is essential to understand the full repertoire of viral proteins and their interplay with host factors. Here\, we show how the SARS-CoV-2 spike protein undergoes 3 stages of proc essing to allow virion activation and host cell infection. We also conduct pre-clinical and cohort studies and found effective viral clearance by Ar borol drug treatment inpatients. Our comprehensive structural studies reve al why COVID19 is hypervirulent and the reason for the failure of several antibody treatments to date. We demonstrate via molecular dynamics and fun ctional studies how the host proteins CD26\, Furin and TMPRSS2 process the viral spike glycoprotein and assist in the viral entry in addition to ACE 2. These results cognize the detailed mechanism of spike glycoprotein and reveal new avenues for potential therapeutics to block different stages of viral entry and new pathways for vaccine development.\n\nhttps://events01 .synchrotron.org.au/event/122/contributions/3985/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3985/ END:VEVENT BEGIN:VEVENT SUMMARY:An investigation of the T cell response against viruses through a structural lens DTSTART;VALUE=DATE-TIME:20201120T043500Z DTEND;VALUE=DATE-TIME:20201120T045500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3983@events01.synchrotron.org.au DESCRIPTION:Speakers: Stephanie Gras (Monash University)\nT cells are a cr itical part of the immune response\, that would determine the fate of an i nfection and disease outcome. Our Lab is focused on understanding how T ce ll engage with viral particles\, called peptide antigens\, that are presen ted by highly polymorphic molecules called Human Leukocyte Antigens (HLA). T cells have receptors on their surface called T cell receptor (TCR) that allow them to recognise the composite surface of the peptide-HLA complex. \nUsing X-ray crystallography we are seeking to understand both peptide a ntigens presentation as well as TCR recognition\, both important to determ ine the quality of the subsequent immune response. This allow us to unders tand the response towards influenza and HIV viruses\, and more recently SA RS-cov-2 virus. The molecular and biophysical features of the peptide anti gens help us map the regions of the virus that are recognised by T cells\, as well as determining the most stable and potent antigens that represent attractive target for therapeutics.\n\nhttps://events01.synchrotron.org.a u/event/122/contributions/3983/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3983/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural studies of G protein-coupled receptors – implications for drug discovery DTSTART;VALUE=DATE-TIME:20201120T040500Z DTEND;VALUE=DATE-TIME:20201120T043500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3982@events01.synchrotron.org.au DESCRIPTION:Speakers: David Thal (Monash Institute of Pharmaceutical Scien ces)\nDavid Thal1 \n1 Monash University\n\nCorresponding Author(s): david. thal@monash.edu \nG protein-coupled receptors (GPCRs) are key cell-surface proteins that transduce external environmental cues into biochemical sign als across the cell membrane. They are the largest superfamily of cell-sur face receptors encoded by the human genome and are also the largest class of FDA approved drug targets. The overarching goal of our lab is to unders tand the molecular basis of how GPCRs function and how this knowledge can be used to design new drug candidates. In particular\, using lipidic cubic phase crystallography we have determined inactive state structures of the M4 and M5 muscarinic acetylcholine receptor (mAChR) subtypes\, the A1 ade nosine receptor (A1AR)\, and the neurokinin 1 receptor (NK1R). These GPCRs are important drug targets for neuropsychiatric diseases (mAChRs)\, cardi ovascular disease (A1AR)\, and pain and inflammation (NK1R). In addition\, using cryo-electron microscopy (cryo-EM) we have determined active state structures for several of these receptors. Collectively\, the result of th ese structures has provided insight into how different classes of ligands bind to and modulate the structure and function of these receptors that we anticipate will aid future drug discovery efforts at these receptors.\n\n https://events01.synchrotron.org.au/event/122/contributions/3982/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3982/ END:VEVENT BEGIN:VEVENT SUMMARY:The effect of surfactant type on the secondary crystallisation of milk fat at the oil-water interface DTSTART;VALUE=DATE-TIME:20201120T055500Z DTEND;VALUE=DATE-TIME:20201120T061500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3981@events01.synchrotron.org.au DESCRIPTION:Speakers: Damien Sebben (University of South Australia)\nThe c rystallisation of lipids within a dispersed oil phase has the potential to stabilise or destabilise the system\, depending on the size and position of the crystals. Interfacial crystallisation within dairy emulsions is of particular interest owing to the role of lipid crystals in partial coalesc ence\, an essential process in the stabilisation of products such as whipp ed creams. Despite the critical importance of lipid crystallisation at dro plet interfaces\, little is known about this phenomenon. Our work utilises two complementary techniques to analyse the effect of thermal cycling on interfacial crystallisation within a simulated milk system. Profile analys is tensiometry (PAT) allows us to monitor the kinetics of interfacial lipi d crystallisation by tracking the interfacial tension of a single droplet as a function of time and temperature. PAT analysis enabled determination of the temperature at which interfacially-active crystals affect the inter facial properties and highlighted the differences in behaviour of these li pid crystals due to the presence of an emulsifier. Additionally\, the effe ct of emulsifier type was studied using both a protein and non-ionic emuls ifier. We found that the presence of emulsifiers delays the effect of inte rfacial crystals on the interfacial tension\, as well as altering the rate s of change in interfacial tension. Synchrotron small angle X-ray scatteri ng (SAXS) was conducted on emulsion systems (for the same composition as i n PAT experiments) to study the formation\, growth and structure of lipid crystals\, following a similar temperature cycling regime to that of the P AT experiments. The SAXS results also indicated a suppression of interfaci al crystallisation in the presence of emulsifiers\, and a difference in th e degree of suppression due to the type of emulsifier used.\n\nhttps://eve nts01.synchrotron.org.au/event/122/contributions/3981/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3981/ END:VEVENT BEGIN:VEVENT SUMMARY:Effect of Emulsifier Type on Interfacial Crystallisation DTSTART;VALUE=DATE-TIME:20201120T053500Z DTEND;VALUE=DATE-TIME:20201120T055500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3980@events01.synchrotron.org.au DESCRIPTION:Speakers: Stephanie Macwilliams (University of South Australia )\nThe study of interfacial crystallisation with SAXS/WAXS is commonly con ducted using both water-in-oil and oil-in-water and emulsions. The former case can be compared to that of a continuous lipid system\, where impuriti es in the bulk lipid catalyse the formation of a lipid crystal network. In the latter case\, the dispersion of the lipid phase into emulsion droplet s means the division of crystal-promoting impurities amongst these droplet s\, with the number of droplets likely to exceed the number of impurities\ , hence lowering the temperature required to form crystals. The inability to distinguish bulk lipid crystals from those at an interface is also made challenging in an emulsion system due to the size of the droplets relativ e to the size of the x-ray beam. We have used a different approach to stud y interfacial crystallisation\, whereby a model lipid layer (medium-chain triglyceride\, MCT) containing a mono-diglyceride mixture was added on top of a water layer inside a capillary. Synchrotron SAXS/WAXS was then used to study crystallisation occurring at the oil-water interface. Surfactant molecules are present in emulsions as stabilising agents and they may also influence crystallisation and the lipid crystal structure. The effect of stabilising agents on the structure and properties of lipid crystals was a lso investigated. The interfacial activity of fat crystals was also assess ed in a complementary series of experiments using Profile Analysis Tensiom etry by monitoring the kinetics of interfacial tension in response to temp erature changes. Both the addition of stabiliser and the stabiliser type a lter the interfacial tension profiles for heating and cooling cycles compa red to the lipid-water system in the absence of stabiliser.\n\nhttps://eve nts01.synchrotron.org.au/event/122/contributions/3980/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3980/ END:VEVENT BEGIN:VEVENT SUMMARY:New insights into the self-assembly of amphiphilic poly(ethylene g lycol-b-caprolactone) diblock copolymers in aqueous solution DTSTART;VALUE=DATE-TIME:20201120T051500Z DTEND;VALUE=DATE-TIME:20201120T053500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3979@events01.synchrotron.org.au DESCRIPTION:Speakers: Khandokar Sadique Faisal (University of South Austra lia\, Applied Chemistry and Translational Biomaterials Group)\nThe ability to self-assemble into nanostructures is a fundamental phenomenon is many living and non-living system. The design of polymeric systems that assembl e into hierarchically structured nanomaterials requires careful considerat ion of the microstructure and molecular interactions. For many application s\, such as micellar drug delivery systems\, precise control over the self -assembly process are required. However\, the relationship between molecul ar structural characteristics of block polymers and their micellar self-as sembly mechanisms vary with different block types. In this study\, the eff ect of polymer molecular weight and copolymer block ratio on the micelliza tion of poly(ethylene glycol-*b*-caprolactone) (PEG-*b*-PCL) block copolym ers was investigated. The stealth properties of PEG and biodegradable natu re of PEG-*b*-PCL makes it a suitable choice for biomedical applications\, including tissue engineering and drug delivery. Nuclear magnetic resonanc e (NMR) and dynamic light scattering (DLS) were used to measure the diffus ion of block copolymers in water\, from which the hydrodynamic diameters a nd dispersity of the polymer aggregates were determined\; three aggregatio n scenarios were inferred from the data\, including unimers (no self-assem bly)\, large metastable aggregates\, and monodisperse micelles. Small-angl e x-ray scattering (SAXS) from polymer solutions provided morphological in formation on the shape of the micelles and their relationship to the polym ers microstructure. The PEG molecular weight and PCL:PEG ratio was the pri mary factor affecting micelle shape. A clear transition from unimers to la rge aggregates to cylindrical and ellipsoid micelles was observed as the P EG molecular weight and PCL:PEG ratio increased\, with an increase in the micelle hydrodynamic radii. We therefore propose a self-assembly phase dia gram for the PEG-*b*-PCL system in aqueous media by combining NMR\, DLS an d SAXS data. Block copolymer composition with larger PEG molecular weights and larger PEG-*b*-PCL block ratios formed more monodisperse micelles\, w hereas copolymer compositions with smaller PEG molecular weights and small er PEG-*b*-PCL block ratios formed large metastable aggregates.\n\nhttps:/ /events01.synchrotron.org.au/event/122/contributions/3979/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3979/ END:VEVENT BEGIN:VEVENT SUMMARY:Internal liquid crystal structures in nanocarriers containing drug hydrophobic ion pairs dictate drug release DTSTART;VALUE=DATE-TIME:20201120T045500Z DTEND;VALUE=DATE-TIME:20201120T051500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3978@events01.synchrotron.org.au DESCRIPTION:Speakers: Kurt Ristroph ()\nHypothesis: Hydrophobic ion pairin g (HIP)\, a solubility engineering technique in which ionic hydrophilic mo lecules are paired with a hydrophobic counterion\, is an attractive strate gy for encapsulating ionic water-soluble species into nanocarriers (NC). D rug release from NCs containing HIP complexes is sensitive to ionic streng th\, pH\, and drug:counterion charge ratio\, but the exact mechanism for t his was unknown\, as was the underlying microstructure inside the NC. We h ypothesize that HIP complexes arrange into liquid crystalline structures i n NC cores and that these structures are responsible for salt- and pH-depe ndent release.\n\nExperiment: A model hydrophobic ion pair from the cation ic antimicrobial peptide polymyxin B sulfate and the anionic counterion so dium oleate is encapsulated into ~100nm NCs formed using Flash NanoPrecipi tation (FNP) and stabilized with an amphiphilic diblock copolymer\, poly(c aprolactone)-b-poly(ethylene glycol). Internal structures are observed by synchrotron small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) following NC formulation and are found to vary with polym yxin:oleate charge ratio. In vitro drug release is also measured at two pH s and two charge ratios.\n\nFindings: For a formulation containing a four- fold charge excess of oleate relative to polymyxin\, internal structures r earranged from a lamellar phase into an inverse hexagonal phase. The hexag onal phase formation corresponds to a greatly reduced rate of polymyxin re lease\, suggesting that the polymyxin was incorporated into the center of hexagonally-packed rods. When release tests are repeated using phosphate-b uffered saline (PBS) at pH 2.0 to ensure protonation of the oleic acid\, a ll internal structures are eliminated and release occurs much faster than at neutral pH\, regardless of charge ratio. These findings shed light on t he mechanism behind stimulus-responsive drug release from systems containi ng hydrophobic ion pairs and enable the rational design of controlled-rele ase formulations by manipulating the formation and dynamics of liquid crys talline phases inside NCs.\n\nhttps://events01.synchrotron.org.au/event/12 2/contributions/3978/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3978/ END:VEVENT BEGIN:VEVENT SUMMARY:Experiments on the high-flux BioSAXS beamline: opportunities for d ynamic studies of soft matter systems and advanced materials DTSTART;VALUE=DATE-TIME:20201120T043500Z DTEND;VALUE=DATE-TIME:20201120T045500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3977@events01.synchrotron.org.au DESCRIPTION:Speakers: Lester Barnsley (ANSTO)\nThe BioSAXS beamline is one of the new beamlines to be constructed at the Australian Synchrotron with in the BRIGHT program. BioSAXS will be dedicated to perform solution small -angle X-ray scattering (SAXS) experiments\, offering access to a variety of researchers from Australia and New Zealand. Solution SAXS experiments c ontinue to be a growing area of the current Australian Synchrotron SAXS/WA XS operations\, particularly in regard to protein and DNA/RNA structure\, polymer solutions\, nanoparticles and liquid crystal phases. Highly radiat ion-sensitive samples will be studied on the BioSAXS beamline with unprece dented levels of flux\, using the CoFlow sample environment\, a pioneering development of the Australian Synchrotron. A highly-automated end-station combined with a versatile detector system will allow the BioSAXS beamline to accommodate most solution SAXS experiments\, covering a q-range of ~ 0 .001 – 3 Å-1\, with low instrument background. The optical design is op timized for high flux (>5×1014 ph/s) x-rays and a focused beam size of 0 .3 mm (H) × 0.03 mm (V). \n\nAlong with the CoFlow\, a wide range of aut omated\, in-situ sample environments are planned for users studying soft m atter and nanoparticulate systems\, with a focus on high throughput measur ements and real-time dynamics to take advantage of the high flux beam and fast detector response time. These will include a stopped-flow and rheomet er for dispersed polymer solutions\, along with a novel\, versatile magnet ic-array system\, optimized for small-angle scattering experiments on magn etic nanoparticles used in biomedical applications. The BioSAXS beamline w ill be developed as a highly-automated and versatile beamline that can acc ommodate a wide-range of solution scattering experiments\, complementing t he existing SAXS/WAXS beamline to ensure the world-leading capabilities of the SAXS offering at the Australian Synchrotron.\n\nhttps://events01.sync hrotron.org.au/event/122/contributions/3977/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3977/ END:VEVENT BEGIN:VEVENT SUMMARY:Complex fluids and simple experiments - What could we do? DTSTART;VALUE=DATE-TIME:20201120T040500Z DTEND;VALUE=DATE-TIME:20201120T043500Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3976@events01.synchrotron.org.au DESCRIPTION:Speakers: Patrick Spicer ()\nStructural studies often aim to o vercome the shortcomings of a sample without compromising on signal or acc uracy. One critical aspect of studying rheologically complex liquids is fl ow\, and a sample's deformation history and characteristic time scales can complicate interpretation. In this talk I will discuss some simple (and c heap) methods of avoiding unwanted flow\, but also adjusting fluid time sc ales when flow is desirable. We will also examine new (cheap and easy) met hods of imposing flow on unsuspecting samples to benefit structural insigh ts and enhance understanding of commercially relevant processes and materi als.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/3976/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3976/ END:VEVENT BEGIN:VEVENT SUMMARY:“Wax On – Wax Off” Using Infrared Reflectance for minimally invasive in vivo monitoring of changes in leaf epicuticular waxes DTSTART;VALUE=DATE-TIME:20201120T003000Z DTEND;VALUE=DATE-TIME:20201120T005000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3975@events01.synchrotron.org.au DESCRIPTION:Speakers: Karina Khambatta (2School of Molecular and Life Scie nces\, Curtin University\, Bentley\, Western Australia 6102\, Australia)\n With increasing global populations and rising temperatures associated with climate change it is important to monitor and mitigate the effects of env ironmental stress on both native flora and agricultural crops. Epicuticula r waxes on the surface of plant leaves play essential roles in sustaining plant health. Such roles include\; minimising water loss\, protection agai nst UV and diseases\, as well as acting as an antifeedent. Studying the co mposition and distribution of epicuticular waxes on the surface of plant l eaves can therefore\, provide a valuable window-of-insight into plant fitn ess and the presence of environmental stressors.\n\nCurrent methods to stu dy plant waxes require extraction of the wax from the leaf surface. This a pproach reveals substantial insight into chemical composition of plant wax es but\, destroys valuable information relating to the spatial distributio n of waxes on the leaf surface. Few methods exist that are capable of imag ing the wax distribution in situ across anatomical components of the leaf surface\, and a gap exists for non-destructive macro-scale imaging in vivo . In this presentation I will describe the development of FTIR micro-spect roscopy to non-destructively image in vivo wax distribution across the lea f surface of native flora and an important agriculture crop (wheat). The m ethod is underpinned by apparent strong specular reflection that comes fro m the thin\, highly ordered wax layers on leaf surfaces. To the best of ou r knowledge\, this is the first report of in vivo monitoring of changes in leaf epicuticular waxes in response to environmental stressors. This new analytical capability could now enable in vivo studies of plants to provid e insights into physiological responses of plants to environmental stresse s such as disease\, soil contamination\, drought\, soil acidity and/or cli mate change.\n\nhttps://events01.synchrotron.org.au/event/122/contribution s/3975/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3975/ END:VEVENT BEGIN:VEVENT SUMMARY:Latest developments and capabilities at the Infrared Microspectros copy Beamline DTSTART;VALUE=DATE-TIME:20201120T001000Z DTEND;VALUE=DATE-TIME:20201120T003000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3974@events01.synchrotron.org.au DESCRIPTION:Speakers: Mark Tobin (Australian Synchrotron)\nThe Infrared Mi crospectroscopy (IRM) beamline has been in operation for user experiments since 2007 and continues to provide access to cutting edge Fourier transfo rm infrared (FTIR) microscope instrumentation with a bright\, diffraction limited infrared beam for the analysis of diverse materials form single ce lls to cultural artefacts\, and composite materials to food products. Thi s presentation will provide an update on the current status and capabiliti es of the IRM beamline\, illustrated with relevant case studies.\nOperatio n of the microscope in transmission mode provides a lateral resolution of between 4 μm and 10 μm\, depending on wavelength\, and is suitable for t he analysis of thin films\, single biological cells and microtomed thin se ctions of materials from biological tissues to polymer composites. The IR M beamline is equipped with a range of sample chambers for use in transmis sion mode\, including a diamond compression cell for the flattening of mat erials\, a Linkam heated stage for analysis at temperatures between -195° C and 600°C\, and a set of custom liquid chambers for the analysis of liv e biological samples.\nReflection and grazing incidence capabilities enabl e the analysis of certain materials that either have a polished surface\, or are presented as a thin film coating on the surface of a reflective met al substrate. \nEnhanced lateral resolution\, and the ability to map mate rials that are otherwise not suited to transmission IR microanalysis\, are achieved by the Attenuated Total Reflection (ATR) method. The ATR approa ch has been developed as a key capability of the IRM beamline\, and a sepa rate presentation on this will be given at this meeting.\nThe standard ope rating spectral range for the IRM microscope is from 4000 cm-1 to 750 cm-1 \, using a high sensitivity narrow band detector. This range can be exten ded on request using a wide band detector with a lower limit of around 500 cm-1\, but with an overall loss of sensitivity across the full mid-IR ran ge. A further extension of the range is possible through the use of a far -IR Si:B photodetector\, or a Bolometer detector\, with a lower limit of 2 50 cm-1 set by the IRM beamline infrared window. A focal plane array dete ctor can be made available for certain experiments requiring snapshot imag es of small regions of around 30 × 30 μm. \nRapid scan IR measurements a t a microscopic scale are possible on the IRM beamline\, with the ability to collect 65 spectra per second at 16 cm-1 spectral resolution.\nFuture d evelopments at the IRM beamline include the use of higher numerical apertu re optics for improved beam collection in the reflection analysis of mater ials\, a liquid ATR flow cell for the study of live biological samples at high spatial resolution\, full piezo control of all adjustable mirrors and pinholes within the IR microscope\, and improved capabilities for mail-in experiments.\n\nhttps://events01.synchrotron.org.au/event/122/contributio ns/3974/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3974/ END:VEVENT BEGIN:VEVENT SUMMARY:Soil carbon research from past\, present and future using synchrot ron-based techniques DTSTART;VALUE=DATE-TIME:20201119T235000Z DTEND;VALUE=DATE-TIME:20201120T001000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3973@events01.synchrotron.org.au DESCRIPTION:Speakers: Han Weng (The University of Queensland)\nBuilding an d protecting soil carbon is critical to agricultural productivity\, soil h ealth and climate change mitigation. This study aims to answer new questio ns of the molecular scale mechanisms at the organo-mineral interfaces for building soil carbon in the past:*Terra Preta Australis* (ancient indigeno us dark earth\, dated back to 1600 years BP)\; present: the longest\, cont inuous biochar field experiment in the world\, located at Wollongbar\, New Souths Wales (building new carbon over 14 years)\; future: the Australian Soil Free Air CO2 Enrichment (SoilFACE) field facility at Horsham\, Victo ria (mimicking elevated CO2 conditions in the field over 8.5 years in the Southern Hemisphere). Based upon synchrotron-based *in situ* spectromicros copy\, we reveal the functional complexity and spatial resolution of soil organic carbon under contrasting management practices\, cropping histories and soil types over millennium. It will provide critical information to a dvance knowledge of building soil carbon for productive\, sustainable and resilient cropping systems.\n\nhttps://events01.synchrotron.org.au/event/1 22/contributions/3973/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3973/ END:VEVENT BEGIN:VEVENT SUMMARY:Micro-Computed Tomography (MCT): A BRIGHT new beamline at ANSTO/Au stralian Synchrotron DTSTART;VALUE=DATE-TIME:20201119T233000Z DTEND;VALUE=DATE-TIME:20201119T235000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3972@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Stevenson (Australian Synchrotron)\nMicro-Com puted Tomography (MCT) has been announced as one of the first new beamline s to be constructed at the Australian Synchrotron as part of the BRIGHT pr ogram. MCT will complement the existing X-ray imaging/tomography capabili ty provided by the Imaging and Medical Beamline (IMBL)\, and will target a pplications requiring higher (sub-micron) spatial resolution and involving smaller samples. MCT will be a bending-magnet beamline\, operating in th e 8 to 40 keV range\, based on a double-multilayer monochromator. This mo nochromator will be able to be removed from the X-ray beam path\, enabling studies with a filtered white beam when required. The photon-delivery sy stem will also house a single-(vertical)bounce mirror\, capable of suppres sing harmonic contamination in low-energy monochromatic beams and providin g the means to shape the spectrum of filtered white beams on the high-ener gy side. MCT will benefit from X-ray phase-contrast modalities (such as p ropagation-based\, grating-based and speckle) in addition to conventional absorption contrast\, and be equipped with a robotic stage for rapid sampl e exchange. A higher-resolution CT configuration based on the use of a Fr esnel zone plate system will also be available. A number of sample enviro nmental stages\, such as for high temperature and the application of loads \, are planned in collaboration with certain groups in the user community. \n\nAnticipated application areas for non-destructive 3D sample characteri zation include biomedical/ health science\, food\, materials science\, and palaeontology. This presentation will provide an update on the progress of the MCT project\, detailing the current design\, planning and procureme nt effort.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/ 3972/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3972/ END:VEVENT BEGIN:VEVENT SUMMARY:Data evaluation on the fly: Auto-Rickshaw at the MX beamlines of t he Australian Synchrotron DTSTART;VALUE=DATE-TIME:20201120T003000Z DTEND;VALUE=DATE-TIME:20201120T005000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3970@events01.synchrotron.org.au DESCRIPTION:Speakers: Santosh Panjikar (Australian Synchrotron)\n**Auto-Ri ckshaw** [1\,2] is a system for automated crystal structure determination. It provides computer coded decision-makers for successive and automated e xecution of a number of existing macromolecular crystallographic computer programs thus forming a software pipeline for automated and efficient crys tal structure determination. \n\nAuto-Rickshaw (AR) is freely available to the crystallography community through the EMBL-Hamburg AR Server (http:// www.embl-hamburg.de/Auto-Rickshaw). \n\nRecently\, it has been installed a t the ASCI cluster at the Australian Synchrotron. The AS-AR server is acce ssible from the MX beamline computers during the X-ray data collection. \n \nAR at the MX beamlines can be invoked through command line or a web-base d graphical user interface (GUI) for data and parameter input and for moni toring the progress of structure determination. It can be also invoked via automatic data processing if the parameter inputs have been pre set at th e GUI during X-ray diffraction experiment. \n\nA large number of possib le structure solution paths are encoded in the system and the optimal path is selected by the decision-makers as the structure solution evolves. The platform can carry out experimental (SAD\, SIRAS\, RIP or various MAD) an d MR phasing or combination of experimental and MR phasing. The system can be used in evaluation of multiple datasets for any phasing protocols as w ell as for evaluation of ligand binding or fragment screening. \n\nThe ne w implementation and features will be discussed during the presentation. \ n\n**References**\n[1] Panjikar\, S.\, Parthasarathy\, V.\, Lamzin\, V. S. \, Weiss\, M. S. & Tucker\, P. A. (2005). Auto-Rickshaw - An automated cr ystal structure determination platform as an efficient tool for the valida tion of an X-ray diffraction experiment. Acta Cryst. D61\, 449-457.\n[2] P anjikar\, S.\, Parthasarathy\, V.\, Lamzin\, V. S.\, Weiss\, M. S. & Tuck er\, P. A. (2009). On the combination of molecular replacement and single- wavelength anomalous diffraction phasing for automated structure determina tion Acta Cryst. D65\,1089-1097.\n\nhttps://events01.synchrotron.org.au/ev ent/122/contributions/3970/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3970/ END:VEVENT BEGIN:VEVENT SUMMARY:Using the Pair Angle Distribution Function for Analysing Protein S tructure. DTSTART;VALUE=DATE-TIME:20201120T001000Z DTEND;VALUE=DATE-TIME:20201120T003000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3969@events01.synchrotron.org.au DESCRIPTION:Speakers: Patrick Adams (RMIT University)\nX-Ray Free Electron Lasers provide a means of conducting crystallography experiments with rem arkable time and spatial resolution. These methods can directly recover th e electron density of the materials analysed\, however\, stringent require ments such as crystal size\, number density per exposure\, and the crystal order can compromise data quality. Membrane proteins\, which do not readi ly crystallise or meet these requirements [1]\, are particularly interesti ng to study as they comprise up to 50% of drug targets [2]\, but less than 10% of the protein structures in the Protein Data Bank [3]. The Pair Ang le Distribution Function (PADF) describes the three and four body correlat ions of the electron density in a sample\, and can be recovered from X-ray angular cross-correlation analysis [4]. Although it does not recover the electron density directly\, it still contains significant information abou t the local three dimensional structure of the material. PADF analysis als o has the potential to relax the stringent crystal requirements imposed by current XFEL experiments. We discuss the sensitivity of the PADF to diffe rent protein structures [5]\, and the correlations generated at different length scales\; from atomic bonding to tertiary structure. Our aim is to d evelop PADF analysis to be used complementarily with conventional crystall ography analysis\, and to use changing angular correlations to measure con formational changes in proteins.\n\n\n----------\n\n\n [1] Johansson\, L.C . et al. Lipidic phase membrane protein serial femtosecond crystallography . Nat. Methods 2012\, 9\, 263–265.\n\n [2] Cournia\, Z. et al. Membrane protein structure\, function\, and dynamics: A perspective from experiment s and theory. J. Membr. Biol. 2015\, 248\, 611–640.\n\n[3] Berman\, H.M. et al. The Protein Data Bank. Acta Crystallogr. Sect. D Biol. Crystallogr . 2002\, 58\, 899–907.\n\n[4] Martin\, A.V. Orientational order of liqui ds and glasses via fluctuation diffraction. IUCrJ 2017\, 4\, 24–36.\n\n[ 5] Adams\, Patrick\, et al. "The Sensitivity of the Pair-Angle Distributio n Function to Protein Structure." Crystals 10.9 (2020): 724.\n\nhttps:// events01.synchrotron.org.au/event/122/contributions/3969/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3969/ END:VEVENT BEGIN:VEVENT SUMMARY:Visualisation of the rapid Cu6Sn5 lithium-ion battery anode fabric ation process via real-time X-ray imaging DTSTART;VALUE=DATE-TIME:20201119T235000Z DTEND;VALUE=DATE-TIME:20201120T001000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3968@events01.synchrotron.org.au DESCRIPTION:Speakers: Xin Fu Tan (University of Queensland)\nUnder the spo nsorship of the Australian Synchrotron International Synchrotron Access Pr ogram (ISAP)\, real-time X-ray imaging was conducted at the SPring-8 synch rotron BL20XU beamline to visualise the rapid formation of Cu6Sn5 for lith ium-ion battery anode applications. This presentation describes the experi mental setup employed at the BL20XU beamline\, and shares the results obta ined. Lithium-ion batteries have found numerous applications in modern tec hnologies\, especially in portable devices\, and increasingly in electric vehicles and renewable energy storage applications. Sn-based lithium-ion b attery anodes have a higher theoretical storage capacity of 993 mAh g-1 vs . 372 mAh g-1 compared to commercial carbon-based anodes. Their better saf ety profile due to a lower risk of lithium dendrite formation compared to the carbon-based anodes is also desirable. However\, Sn-based anodes suffe r from inferior cycling performance due to the enormous stresses during th e lithiation and delithiation process. Alloying Sn with Cu can reduce the reaction stresses in the anode\, as Cu does not react with Li\, and acts a s a stress buffer. Cu6Sn5 is therefore a promising candidate material to r eplace carbon-based anodes. Traditionally\, anode fabrication is a multi-s tep process where the active materials are first fabricated\, and then mix ed with binders and conductive materials\, followed by slip casting the re sultant slurry on to a current collector and dried. To simplify this fabri cation process\, a simple method involving direct growth of Cu6Sn5 on a Cu current collector is proposed. Yet\, the growth rate of Cu6Sn5 is limited by the inter-diffusion of Cu and Sn\, restricting the potential of this m ethod for large scale production. This study proposes a method to accelera te the growth rate of Cu6Sn5 by alloying Ni to the Cu current collector. A maximum growth rate is found when 6 wt% of Ni is present in the Cu curren t collector\, where a growth rate of up to 50x faster compared to the grow th rate on a pure Cu current collector is observed. Visualisation of the f abrication process via real-time synchrotron X-ray imaging allowed the kin etics and mechanisms of the rapid Cu6Sn5 growth to be characterised.\n\nht tps://events01.synchrotron.org.au/event/122/contributions/3968/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3968/ END:VEVENT BEGIN:VEVENT SUMMARY:Materials And Interfacial Design For Advanced Potassium Ion Storag e DTSTART;VALUE=DATE-TIME:20201119T233000Z DTEND;VALUE=DATE-TIME:20201119T235000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3967@events01.synchrotron.org.au DESCRIPTION:Speakers: Wenchao Zhang (University of Wollongong)\nDeveloping new renewable energy storage devices is vital for regulating the energy o utput of intermittent solar and wind energy\, which have been expected to occupy increasing proportions of energy sources in light of the environmen tal issues caused by fossil fuel energy. Amid staggering advances on grid- scale devices and electric vehicles\, there has been great interest in exp loring potassium ion batteries (PIBs). The motivations triggering the stud y of PIBs relate to the benefits of their relatively high energy density r esulting from the low standard redox potential of potassium (-2.93 V vs. E 0)\, which is close to that of lithium (-3.04 V vs. E0)\, their low cost\, which is ascribed to the abundance of potassium (1.5 wt. %) in the Earth ’s crust )\, and also their fast ion transport kinetics in electrolyte. In terms of electrode materials\, alloy-based materials have been consider ed as good candidates for high-energy-density devices due to their relativ ely high theoretical capacity. However\, the huge volume variations and sl uggish ionic diffusion hinder their cycle life and fast charge/discharge c apability. Through the optimization of materials processing\, the introduc tion of carbon matrix and the selection of electrolytes\, the high-energy- density and long cycle life alloy-based anodes have been obtained. In addi tion\, to further increase the energy density\, we successfully fabricate the K-CO2 batteries by employing three-dimensional carbon-based metal-free electrocatalysts. We hope the relevant work will promote the developments of K ion chemistry in energy storage fields.\n\nhttps://events01.synchrot ron.org.au/event/122/contributions/3967/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3967/ END:VEVENT BEGIN:VEVENT SUMMARY:Energy Dispersive X-ray Diffraction for In-Situ and Operando Chara cterization of Electrochemical Energy Storage Systems DTSTART;VALUE=DATE-TIME:20201119T230000Z DTEND;VALUE=DATE-TIME:20201119T233000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3966@events01.synchrotron.org.au DESCRIPTION:Speakers: Amy Marschilok ()\nElectrochemical energy storage sy stems can be challenging to characterize as they function far from equilib rium\, dominated by kinetics. Heterogeniety of the ion distribution and p hase transformations within the electrode can have a significant impact on the electrochemistry of the system\, but is not discernable by convention al methods. The benefits of energy dispersive x-ray diffraction diffracti on as a tool for for in-situ and operando characterization of electrochemi cal energy storage systems will be highlighted in this presentation\, incl uding examples from both conversion and insertion based electrodes.\n\nhtt ps://events01.synchrotron.org.au/event/122/contributions/3966/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3966/ END:VEVENT BEGIN:VEVENT SUMMARY:Fluctuation x-ray scattering of self-assembled lipids\, colloidal particles and liquids DTSTART;VALUE=DATE-TIME:20201120T001000Z DTEND;VALUE=DATE-TIME:20201120T003000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3965@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Martin (RMIT University)\nFluctuation x-ray s cattering studies how the x-ray diffraction pattern changes as a small x-r ay beam is scanned relative to the sample. The ensemble of diffraction pat terns from different sample positions can reveal information about the loc al 3D structure in disordered materials. We have developed a fluctuation s cattering technique called the pair-angle distribution function (PADF) met hod that recovers three- and four-body correlations in the sample\, includ ing local angular structure[1\,2]. This is a natural generalisation of the pair-distribution function obtained from small-angle x-ray scattering (SA XS). Here we present recent applications of the PADF technique to self-ass embled lipids[3] to reveal distortions of the water channel shape with lip id composition. We discuss the potential application to disordered\, dense packings of colloidal particles to distinguish dominant icosahedral\, fac e-centred cubic\, body-centred cubic or hexagaonal packings[4]. Looking fu rther into future\, we discuss the potential applications to liquid struct ure with x-ray free-electron lasers.\n\n\n[1] A.V. Martin\, IUCrJ\, 2017\, 4\, 24-36.\n[2] A.V. Martin\, E.D. Bøjesen\, T.C. Petersen\, C. Hu\, M.J . Biggs\, M. Weyland\, A.C.Y. Liu\, Small 2020\, 16\, 2000828.\n[3] A.V. M artin\, \, A. Kozlov\, P. Berntsen\, F.G. Roque\, L. Flueckiger\, S. Saha\ , T.L. Greaves\, C.E. Conn\, A.M. Hawley\, T.M. Ryan\, B. Abbey\, C. Darma nin\, Commun. Mater. 2020\, 1\, 40.\n[4] E. Bojesen\, T.C. Petersen\, A. V. Martin\, M. Weyland\, A. Liu\, Journal of Physics: Materials\, 2020\, 3 044002.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/39 65/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3965/ END:VEVENT BEGIN:VEVENT SUMMARY:Pulling Milk Lipids Apart and Putting Them Back Together Again – A Self-assembly Approach DTSTART;VALUE=DATE-TIME:20201119T235000Z DTEND;VALUE=DATE-TIME:20201120T001000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3963@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Clulow (Monash University)\n*Introduction*: D igestion of the milk lipids in our intestines yields monoglycerides and fa tty acids that self-assemble into a variety of liquid crystalline structur es. This self-assembly process is species dependent\,[1\,2] suggesting an important role for these structures in infant nutrition. Our recent work o n the SAXS/WAXS beamline has focussed on studying how the lipid compositio ns of different milks generates different self-assembled structures both b y digesting milk and analysing the by-products and assembling lipid mixtur es that replicate the milk of different species from readily available fat s and oils.\n*Methods*: Small angle X-ray scattering (SAXS) with in situ l ipolysis was used to measure the lipid self-assembly in various types of m ilk and infant formulae during digestion.[3] The structures observed were correlated with the resulting digestion products using a combination of li quid chromatography coupled to mass spectrometry (LCMS) and principle comp onent analysis (PCA).[4] Lipid mixtures were prepared in the lab by mixing either homotriglycerides or natural fats and oils. These lipid mixtures w ere dispersed to form milk-like emulsions and their lipid self-assembly du ring digestion was compared with the milks and infant formulae.\n*Results & Discussion*: This presentation will discuss the lipid liquid crystalline structures formed in a variety of milks and milk-like emulsions during di gestion and how they can be mimicked. The lipid self-assembly in cow and h uman milk was shown to be replicated when the right balance of emulsified lipids was prepared by mixing homotriglycerides or blending milk fat with natural oils.[5] These emulsions provide representative digestive colloid structures through which to analyse the impact of lipid composition on sel f-assembly and bioactive delivery.\n\n*References*\n\n[1] Clulow\, A. J.\; Salim\, M.\; Hawley\, A.\; Boyd\, B. J. A closer look at the behaviour of milk lipids during digestion. *Chem. Phys. Lipids* **2018**\, 211\, 107-1 16.\n[2] S. Salentinig\, S. Phan\, A. Hawley\, B. J. Boyd\, *Angew. Chem. Int. Ed.* **2015**\, 54\, 1600-1603.\n[3] Warren\, D. B.\; Anby\, M. U.\; Hawley\, A.\; Boyd\, B. J. Real Time Evolution of Liquid Crystalline Nanos tructure during the Digestion of Formulation Lipids Using Synchrotron Smal l-Angle X-ray Scattering. *Langmuir* **2011**\, 27 (15)\, 9528-9534.\n[4] Pham\, A. C.\; Peng\, K.-Y.\; Salim\, M.\; Ramirez\, G.\; Hawley\, A.\; Cl ulow\, A. J.\; Boyd\, B. J. Correlating Digestion-Driven Self-Assembly in Milk and Infant Formulas with Changes in Lipid Composition. *ACS Appl. Bio Mater.* **2020**\, 3 (5)\, 3087-3098.\n[5] Clulow\, A. J.\; Salim\, M.\; Hawley\, A.\; Boyd\, B. J. Milk mimicry – Triglyceride mixtures that mim ic lipid structuring during the digestion of bovine and human milk. *Food Hydrocolloids* **2021**\, 110\, 106126.\n\nhttps://events01.synchrotron.or g.au/event/122/contributions/3963/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3963/ END:VEVENT BEGIN:VEVENT SUMMARY:Cubosomes for the Delivery of Biopharmaceuticals DTSTART;VALUE=DATE-TIME:20201119T233000Z DTEND;VALUE=DATE-TIME:20201119T235000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3962@events01.synchrotron.org.au DESCRIPTION:Speakers: Charlotte Conn (RMIT)\nBiopharmaceuticals\, includin g therapeutic proteins and peptides\, represent the fastest growing class of new pharmaceuticals with application as treatments for auto-immune diso rders\, cancer and cardiovascular disease. Significant efforts have conve rged towards the design and development of more sophisticated delivery sys tems for protein-based pharmaceuticals\, able to ensure controlled release of these bioactive compounds as well as protect the encapsulated therapeu tic from denaturing processes such as enzymatic or acidic hydrolysis. Lip id-based nanomaterials are particularly useful for the encapsulation of am phiphilic proteins and peptides\, as their bilayer structure mimics the na tive cell membrane environment and may assist in retaining the protein in a functionally active form.1 The research presented aims to elucidate the fundamental physicochemical interactions between lipidic nanomaterials\, encapsulated proteins and peptides\, and cells. In order to screen the la rge compositional space associated with the design of such materials\, we focus on high-throughput methodologies\, and the use of large national and international synchrotron facilities such as the Australian Synchrotron\, the Bragg Institute and ASTRID2 synchrotron\, Denmark. Uptake of cubosome s into eukaryotic cells was shown to be driven by a process of membrane fu sion between the lipid bilayer that makes up the nanoparticle and the exte rnal cell membrane.2 Synchrotron CD experiments demonstrated that the lip idic cubic phase was able to protect encapsulated insulin against enzymati c degradation by chymotrypsin\, which is typically found in the small inte stine\, over a period of several hours. Finally\, the use of lipid nanopa rticles as effective delivery vehicles for anti-microbial compounds will b e discussed.3 \n1. Conn\, C. E.\; Drummond\, C. J.\, Nanostructured Bicont inuous Cubic Lipid Self-Assembly Materials as Matrices for Protein Encapsu lation. Soft Matter 2013\, 9 (13)\, 3449-3464.\n2. Dyett\, B. P.\; Yu\, H .\; Strachan\, J.\; Drummond\, C. J.\; Conn\, C. E.\, Fusion dynamics of cubosome nanocarriers with model cell membranes. Nat Commun 2019\, 10 (1) \, 4492.\n3. Meikle\, T.G.\; Dyett\, B.\; Strachan\, J.B.\; White\, J.\ ; Drummond\, C.J. and Conn\, C.E. Preparation\, Characterization\, and ant imicrobial activity of cubosome encapsulated metal nanocrystals. ACS Appl ied Materials & Interfaces 2020\, 12 (6)\, 6944-6954\n\nhttps://events01.s ynchrotron.org.au/event/122/contributions/3962/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3962/ END:VEVENT BEGIN:VEVENT SUMMARY:Protein-Lipid interactions and protein structures in multi-compone nt systems DTSTART;VALUE=DATE-TIME:20201119T230000Z DTEND;VALUE=DATE-TIME:20201119T233000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3961@events01.synchrotron.org.au DESCRIPTION:Speakers: Leonie van 't Hag (Monash University)\nUnderstanding protein-lipid interactions and the resulting protein structures is crucia l for evolving food technology\, biological and biomedical applications of nanomaterials. Knowledge regarding the effect of the multiple components in the system on the nanostructure\, within the context of the application \, is needed. Lyotropic liquid crystal design rules1 were developed and th e effect of protein encapsulation on lipid self-assembly materials was ext ensively studied by us in recent years. We used this to obtain a protein-e ye view of the in meso crystallisation method of integral membrane protein s from the bicontinuous cubic phase over time.2 Recently there has been a shift towards using biomimetic cubic phases\,1\,3\,4 and SAXS studies at t he Australian Synchrotron were used to investigate encapsulation of biolog ically relevant proteins and peptides.\n\nhttps://events01.synchrotron.org .au/event/122/contributions/3961/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3961/ END:VEVENT BEGIN:VEVENT SUMMARY:Peering into Batteries: Electrochemical Insight through Operando Methods DTSTART;VALUE=DATE-TIME:20201118T223000Z DTEND;VALUE=DATE-TIME:20201118T233000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3960@events01.synchrotron.org.au DESCRIPTION:Speakers: Esther Takeuchi ()\nEsther S. Takeuchi\nWilliam and Jane Knapp Chair of Energy and the Environment\nStony Brook University\nCh ief Scientist and Chair\nBrookhaven National Laboratory\n\n\nAbstract\n\nE merging new applications such as electric vehicles and integration of rene wable energy demand expanded function of batteries. However\, complex pha se transitions of electroactive materials\, kinetics of ion transport\, an d electrode-electrolyte interfacial reactions\, still limit the full under standing of functional and degradation mechanisms. To date\, many interr ogation approaches of batteries are static\, unable to track mechanisms ar ising from dynamic battery (dis)charge behavior. Emerging in situ and ope rando characterization methodologies focused on multiple size domains and time scales are becoming a powerful approach to resolve existing limitatio ns of material and battery design and provide insights for future directio ns. A series of illustrative examples of in situ and operando characteriza tion over atomic\, crystallite/particle\, electrode\, and battery system l ength scales will be provided for lithium based batteries as well as those beyond lithium ion. The use of multiple synergistic methods to gain furth er insight will also be highlighted.\n\nhttps://events01.synchrotron.org.a u/event/122/contributions/3960/ LOCATION:Zoom Webinar Room URL:https://events01.synchrotron.org.au/event/122/contributions/3960/ END:VEVENT BEGIN:VEVENT SUMMARY:Trace element distributions in Al-Zn based coating alloys on steel substrates investigated by synchrotron XFM DTSTART;VALUE=DATE-TIME:20201119T044000Z DTEND;VALUE=DATE-TIME:20201119T050000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3958@events01.synchrotron.org.au DESCRIPTION:Speakers: Dongdong Qu (The University of Queensland)\nThe 55Al -Zn-1.6Si alloy is widely used in hot-dip galvanizing to coat steel and di splays a multilayered microstructure (steel substrate/intermetallic compou nd (IMC) layer/coating overlay) that offers protection from corrosion. Tra ce level (less than a few tens of ppm) V and Cr are hypothesized to influe nce the corrosion performance of the coated steel via localized segregatio n. This work investigates the distribution of trace V and Cr using synchro tron X-ray fluorescence microscopy (XFM) and scanning transmission electro n microscopy (STEM)\, and discusses the mechanism of trace V and Cr distri bution during coating formation.\n\nhttps://events01.synchrotron.org.au/ev ent/122/contributions/3958/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3958/ END:VEVENT BEGIN:VEVENT SUMMARY:Fast-scanning X-ray Diffraction Microscopy (SXDM) at the XFM beaml ine DTSTART;VALUE=DATE-TIME:20201119T042000Z DTEND;VALUE=DATE-TIME:20201119T044000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3957@events01.synchrotron.org.au DESCRIPTION:Speakers: Michael Jones (QUT)\nScanning X-ray Diffraction Micr oscopy (SXDM\, aka ptychography) produces phase and absorption contrast im ages at high spatial resolution\, well below the incident beam size(1). Th e experimental conditions for SXDM are close enough to X-ray Fluorescence Microscopy (XFM) that they are readily combined into a single simultaneous measurement(2-5). However\, SXDM has additional coherence and positioning precision requirements compared to XFM and therefore has tended to slow d own the whole data collection process(3). Here we present recent advances in fast “flyscan” SXDM data collection\, and processing strategies imp lemented at the XFM beamline that reduce the time taken to collect the dat a\, and produce artefact-free images. These advances provide a pathway to nanoscale imaging of millimetre-sized samples\, in the gigapixels per hour regime.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/39 57/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3957/ END:VEVENT BEGIN:VEVENT SUMMARY:Dual sample analysis on the XFM beamline: a new approach to increa se the throughput of analysis of large samples DTSTART;VALUE=DATE-TIME:20201119T035000Z DTEND;VALUE=DATE-TIME:20201119T042000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3956@events01.synchrotron.org.au DESCRIPTION:Speakers: Casey Doolette (University of South Australia)\nCase y L. Doolette1\, Daryl L. Howard2\, David\, J. Paterson2\, Cameron M. Kewi sh2\, Nader Afshar2\, Peter M. Kopittke3\, Enzo Lombi1 \n1University of So uth Australia\, Future Industries Institute\, Mawson Lakes\, South Austral ia 5095\, Australia\n2Australian Synchrotron\, ANSTO Clayton\, Victoria\, 3168\, Australia\n3The University of Queensland\, School of Agriculture an d Food Sciences\, St. Lucia\,\nQueensland 4072\, Australia\n\n\nX-ray fluo rescence microscopy (XFM) is a powerful mapping technique that can be used to determine the distribution of elements and chemical species at a range of spatial resolutions. Synchrotron radiation is commonly used as the X-r ay source over conventional benchtop XFM as the photon flux is orders of m agnitude greater\, meaning that speed of analysis is also orders of magnit ude faster.1 However\, there is extremely high demand for synchrotron-base d X-ray fluorescence mapping due to its wide range of applications includi ng biomedical\, geological\, environmental\, agricultural and cultural her itage fields of reserach.2 Therefore\, user access to the Australian Synch rotron XFM beamline is very competitive and the beamline is oversubscribed . In this study\, we developed a dual scanning approach that allows for si multaneous data collection from two samples. More specifically\, we perfor med milliprobe analysis of an upstream sample concurrently with microprobe analysis of a downstream sample. The motivation behind this work was driv en by the need to map large samples (>100 cm2) without sacrificing the thr oughput of the XFM beamline. For this study\, our upstream samples were la rge (10 cm x 17 cm) diffusive gradient in thin-film devices (DGT)\; a DGT is a hydrogel embedded with a binding agent that acts as a sink for labile soil nutrients. After deployment on the soil surface\, the DGT can then b e mapped to visualise the distribution of available soil nutrients. We inv estigated the effect of DGT composition on the quality of analysis of two contrasting highly heterogeneous downstream samples (mineral and wheat thi n-sections). Overall\, gel composition did not affect the quality of analy sis of highly heterogeneous downstream. For the first time\, we demonstrat ed that data collection from large DGT devices can be performed in the bac kground of other experiments on the Kirkpatrick Baez mirror (KB) end-stati on. This dual-scanning approach has the potential to translate to an incre ased throughput of analysis for XFM\, as large DGTs (or other gels e.g. th ose used for metalloprotein separation) can be scanned at virtually no bea mtime cost. \n\n \n \n \n\n(1) Kopittke\, P. M.\; Punshon\, T.\; Paterso n\, D. J.\; Tappero\, R. V.\; Wang\, P.\; Blamey\, F. P. C.\; van der Ent\ , A.\; Lombi\, E. Plant physiology 2018\, 178\, 507-523.\n(2) Paterson\, D .\; Jonge\, M. D. d.\; Howard\, D. L.\; Lewis\, W.\; McKinlay\, J.\; Starr itt\, A.\; Kusel\, M.\; Ryan\, C. G.\; Kirkham\, R.\; Moorhead\, G.\; Sidd ons\, D. P. AIP Conference Proceedings 2011\, 1365\, 219-222.\n\nhttps://e vents01.synchrotron.org.au/event/122/contributions/3956/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3956/ END:VEVENT BEGIN:VEVENT SUMMARY:Highly Active Gas Phase Organometallic Catalysis Supported Within Metal-organic Framework Pores DTSTART;VALUE=DATE-TIME:20201119T042000Z DTEND;VALUE=DATE-TIME:20201119T044000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3954@events01.synchrotron.org.au DESCRIPTION:Speakers: Ricardo Peralta (University of Adelaide)\nMetal-orga nic Frameworks (MOFs) possess a set of unique attributes including permane nt porosity\, large internal surface areas and robust crystallinity which has motivated extensive interest in the field of gas-phase catalysis. In particular\, MOFs can act as a platform for the heterogenization of molecu lar catalysts\, allowing easy catalyst recovery and a route towards struct ural elucidation of the active centres immobilised in a crystalline host. We have developed a unique MOF\, MnMOF-1 which features vacant N\,N-chela tion sites which are accessible via the porous channels that penetrate the structure1\,2. In the present work\, cationic Rhodium(I) norbornadiene (N BD)\, cyclooctadiene (COD) and bis(ethylene) complexes have been incorpora ted into the vacant N\,N-chelation sites of MnMOF-1 via post-synthetic met alation and facile anion exchange. Exploiting the crystallinity of the hos t framework\, the immobilised Rh(I) centres were structurally characterise d using X-ray crystallography. \nThe activity of the Rh(I) bisethylene co mplexes MnMOF-1·[Rh(C2H4)2]BF4 and MnMOF-1·[Rh(C2H4)2]Cl in gas phase bu tene isomerisation was studied using gas-phase NMR spectroscopy. Under one atmosphere of butene at 46˚C\, MnMOF-1·[Rh(C2H4)2]BF4 rapidly catalyses the conversion of 1-butene to 2-butene with a TOF of ca. 2000hr-1. Notabl y\, the chloride derivative\, MnMOF-1 [Rh(C2H4)2]Cl displays negligible ac tivity in comparison\, suggesting that interactions between the chloride a nion and the Rh centre impact the catalytic activity.\n\nReferences \n1. P eralta\, R.A.\; Huxley\, M.\; Young\, R.\; Linder-Patton\, O. M.\; Evans\, J. D.\; Doonan\, C. J.\; Sumby\, C. J. Faraday Discussions 2020.\n2. Pera lta R. A.\; Huxley\, M. T\; Evans\, J. D.\; Fallon\, T.\; Cao\, H.\; He\, M.\; Zhao\, X. S.\; Agnoli\, S.\; Sumby\, C. J.\; Doonan\, C. J. J. Am. Ch em. Soc.\, 2020.\n\nhttps://events01.synchrotron.org.au/event/122/contribu tions/3954/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3954/ END:VEVENT BEGIN:VEVENT SUMMARY:Mechanistic insights into functional Electrocatalysis from XAS: th e story from Experimental Design to Insights into Electron Transfer Timesc ales important for Selectivity. DTSTART;VALUE=DATE-TIME:20201119T035000Z DTEND;VALUE=DATE-TIME:20201119T042000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3953@events01.synchrotron.org.au DESCRIPTION:Speakers: Rosalie Hocking (Swinburne University of Technology) \n1Department of Chemistry and Biotechnology and Centre for Translational Atomaterials\, Faculty of Science\, Engineering and Technology\, Swinburne University of Technology\n\n\nOne of the greatest challenges of the 21st century will be securing cheap and renewable sources of energy. One of th e most promising approaches to this challenge is to design catalysts from earth abundant materials capable of implementing key chemical reactions in cluding splitting water into hydrogen and oxygen (H2O → 2H+ + O2)\; and both the oxidation (H2→ 2H+) and reduction (2H+→ H2) of hydrogen among many others. Structural type and disorder have become important questions in catalyst design- it is often noted in studies of functional materials that the most active catalysts are “disordered” or “amorphous” in nature. But the impact of this “disorder” on catalysis and other mate rial properties has been hard to quantify- in part because of the challeng es of characterising disordered materials. X-ray Absorption Spectroscopy offers an important solution to this problem enabling us to study material s in their “functional active state” even when highly disordered and a morphous. In this talk I will examine some of the things we have learnt a bout functional electro-catalysts from X-ray Absorption Spectroscopy- from catalyst identification to understanding timescale effects in electron tr ansfer important for catalyst design.§\n\nhttps://events01.synchrotron.or g.au/event/122/contributions/3953/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3953/ END:VEVENT BEGIN:VEVENT SUMMARY:Characterization of SARS-CoV-2 peptides presented by Human Leukocy te Antigen molecules DTSTART;VALUE=DATE-TIME:20201119T044000Z DTEND;VALUE=DATE-TIME:20201119T050000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3952@events01.synchrotron.org.au DESCRIPTION:Speakers: Christopher Szeto (Department of Biochemistry and Mo lecular Biology\, Biomedicine Discovery Institute\, Monash University\, Cl ayton\, VIC\, Australia)\nTo date\, the COVID-19 pandemic has claimed 970\ ,000 lives and afflicted more than 31 million individuals. Although a glob al effort has been enacted for vaccines and drug discovery\, our rudimenta ry understanding of SARS-CoV-2 infection and our own immune defense agains t this infection remains unclear. Our immune system can naturally overcome viral infection through the presentation of viral protein fragments or pe ptides (p) via human leukocyte antigen (HLA) molecules. These peptide-HLA complexes (pHLAs) are recognized by cytotoxic T cells that can activate\, proliferate\, and kill infected cells. T cells also retain memory of thei r encounter with the virus\, and will respond faster during re-infection. How peptides are presented on the cell surface by HLA molecules impact T c ell recognition and influence the outcome of viral clearance\, and therefo re\, outcome of the disease. Although SARS and SARS-CoV2 cause severe acut e respiratory syndrome\, other coronavirus strains (229E\, OCE43\, HKU1\, and NL63) only cause the common cold. These coronaviruses share similar pe ptide sequences that can be presented by HLAs\, meaning that prior exposur e to a less severe strain of coronavirus may infer immunity via memory T c ells if similar peptides are presented in the same structural fashion. Usi ng protein crystallography and X-ray diffraction at the Australian Synchro tron\, we have characterized the presentation of SARS-CoV-2 peptides\, whi ch could influence vaccine strategies and provide a basis for research in T cell therapy.\n\nhttps://events01.synchrotron.org.au/event/122/contribut ions/3952/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3952/ END:VEVENT BEGIN:VEVENT SUMMARY:Molecular insights into the specificity and potency of metabolite- mediated T-cell immunity DTSTART;VALUE=DATE-TIME:20201119T042000Z DTEND;VALUE=DATE-TIME:20201119T044000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3951@events01.synchrotron.org.au DESCRIPTION:Speakers: Wael Awad (Monash University)\nMucosal associated in variant T (MAIT) cells are an abundant human T cells subset that are varia bly activated by small-molecule metabolites presented by the MHC class 1 r elated molecule\, MR1. During infection with riboflavin-producing microorg anisms\, the microbial metabolite 5-amino-6-D-ribitylaminouracil (5-A-RU) reacts with glycolysis byproducts of glyoxal/methylglyoxal forming highly potent ribityl pyrimidine ligands. These pyrimidine intermediates are trap ped by MR1 and presented on the surface of the antigen-presenting cells en countering the MAIT T cell receptor (TCR) leading to the activation of the MAIT cells. These riboflavin-based MAIT cell agonists are unique for a wi de range of microbes and accordingly represent a molecular signature of mi crobial infection. The most potent MAIT agonist is 5-(2-oxopropylideneamin o)-6-D-ribitylaminouracil (5-OP-RU)\, but the mechanism that underpins thi s potency remains unclear.\n\nTo explore the molecular basis for the high potency of 5-OP-RU as a MAIT agonist\, we chemically synthesized and chara cterized a large panel of 5-OP-RU analogues\, termed ‘’altered metabol ite ligands’’ (AMLs)\, and investigated functionally and structurally their impact on MAIT TCR recognition. Here\, modification of the 5-OP-RU r ibityl moiety impacted differentially on MAIT TCR binding affinity\, consi stent with the ability of AMLs to stimulate MAIT cells. Through an analysi s of 13 high-resolution (~ 1.9 Å) MAIT TCR-MR1-AML crystal structures\, w e show that the propensity of MR1 upregulation on the cell surface was rel ated to the nature of MR1-AML interactions. Further\, MR1-AML adaptability and a dynamic compensatory interplay at the MAIT TCR-AML-MR1 interface im pacted on the affinity of the MAIT TCR-MR1-AML interaction\, which ultimat ely underscored the ability of the AMLs to activate MAIT cells. Therefore\ , we determined the molecular basis underlying MR1 antigen capture\, MAIT TCR recognition and thereby provide insights into MAIT cell antigen specif icity and potency.\n\n 1.**Awad\, W**.#\, Ler\, G.J.M.# et al. (2020). Th e molecular basis underpinning the potency and specificity of MAIT cell an tigens. *Nature Immunology* 21\, 400-411.\n 2.Salio\, M.#\, **Awad\, W**.# et al. (2020). Ligand-dependent downregulation of MR1 cell surface expres sion. *PNAS*\, 202003136.\n 3.**Awad W.**\, et al. (2020). Atypical TRAV1- 2- T cell receptor recognition of the antigen-presenting molecule MR1. *J. Biol. Chem.*\, in press.\n\nhttps://events01.synchrotron.org.au/event/122 /contributions/3951/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3951/ END:VEVENT BEGIN:VEVENT SUMMARY:Solvent properties of protic ionic liquid-water mixtures\, and the ir application to biological molecules DTSTART;VALUE=DATE-TIME:20201119T031000Z DTEND;VALUE=DATE-TIME:20201119T033000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3949@events01.synchrotron.org.au DESCRIPTION:Speakers: Tamar Greaves (RMIT University)\nProtic ionic liquid s (PILs) are cost efficient “designer” solvents which can be tailored to have properties suitable for a broad range of applications. PILs are al so being combined with molecular solvents to enable more control over the solvent environment\, driven by a need to reduce their cost and viscosity. However\, there are relatively few structure-property studies which look at these more complex mixtures. We have explored the solvation properties of common PIL-molecular solvents using various techniques\,[1] and have id entified many interesting solvent properties of these solutions\, and thei r interactions with solutes. \nIn this presentation I will discuss how we are using our understanding of PIL-water solvent properties to design and characterise solvents for biological molecules. In particular\, we are tar geting being able to control protein solubility and stability\, which are critical for applications in bioprocessing\, biocatalysis\, protein crysta llography and cryopreservation. We have explored lysozyme as a model prote in in various PIL-water systems\, predominantly using spectroscopic techni ques and small angle x-ray scattering (SAXS).[2-3] From this we have been able to identify which PILs are more biocompatible\, and to identify speci fic conformational changes of lysozyme due to the presence of PILs.[4] Mor e recently\, we have used protein crystallography to identify specific bin ding sites of the PIL ions and water to lysozyme.[4] \n\nReferences\n1. Ya lcin\, D.\; Drummond\, C. J.\; Greaves\, T. L.\, High throughput approach to investigating ternary solvents of aqueous non-stoichiometric protic ion ic liquids. Phys. Chem. Chem. Phys. 2019\, 21\, 6810-6827.\n2. Wijaya\, E. C.\; Separovic\, F.\; Drummond\, C. J.\; Greaves\, T. L.\, Activity and c onformation of lysozyme in molecular solvents\, protic ionic liquids (PILs ) and salt-water systems. Phys. Chem. Chem. Phys. 2016\, 18\, 25926-25936. \n3. Arunkumar\, R.\; Drummond\, C. J.\; Greaves\, T. L.\, FTIR Spectrosco pic Study of the Secondary Structure of Globular Proteins in Aqueous Proti c Ionic Liquids. Frontiers in Chemistry 2019\, 7\, Article 74.\n4. Qi\, H. \; Smith\, K. M.\; Darmanin\, C.\; Ryan\, T. M.\; Drummond\, C. J.\; Greav es\, T. L.\, Lysozyme conformational changes with ionic liquids: spectrosc opic\, small angle x-ray scattering and crystallographic study. Journal of Colloid and Interface Science\, Accepted 8th October 2020.\n\nhttps://eve nts01.synchrotron.org.au/event/122/contributions/3949/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3949/ END:VEVENT BEGIN:VEVENT SUMMARY:Quantitative Determination of Protein Solubility in Ionic Liquids DTSTART;VALUE=DATE-TIME:20201119T025000Z DTEND;VALUE=DATE-TIME:20201119T031000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3948@events01.synchrotron.org.au DESCRIPTION:Speakers: Stuart Brown (RMIT)\nProteins are often utilised for a range of applications in the pharmaceutical\, biological\, chemical and food industries[1-2]. The ideal solvent for hydrophilic proteins is usual ly buffered water due to its minimal cost\, and ability to mimic the nativ e environment of proteins\, however many proteins are hydrophobic and have poor solubility in water. Because of this\, organic solvents have been in vestigated as an alternative solvent for biocatalysis[3] and protein extra ction[4]\, but often have detrimental effects on the protein stability and structure. We propose to use ionic liquids (ILs) as an alternative solven t\, or as an additive in aqueous solutions\, to quantify the solubility an d stability of proteins. Initially the model protein lysozyme will be test ed in ILs from highly dilute to neat. A novel\, high throughput method ha s been developed to quantitatively determine the solubility of lysozyme. The aim is to explore specific-ion effects and how these differ for concen trated IL solutions compared to conventional dilute salts. A variety of te chniques including UV/vis spectroscopy\, Fourier-transformation infrared s pectroscopy\, circular dichroism and small angle x-ray scattering will be used to describe the stability and structure of the protein\, and to gain insight into its interactions with ILs. It is hoped that any solubility tr ends present for lysozyme or specific ions can then be extrapolated to oth er proteins. Further studies will be done to compare any variations in the specific ion effects on different proteins and to begin building a databa se of quantified protein solubility and stability in ILs. \n\n1. Egorova \, K. S.\; Gordeev\, E. G.\; Ananikov\, V. P.\, Biological Activity of Ion ic Liquids and Their Application in Pharmaceutics and Medicine. Chemical R eviews 2017\, 117 (10)\, 7132-7189.\n2. van Rantwijk\, F.\; Sheldon\, R. A .\, Biocatalysis in Ionic Liquids. Chemical Reviews 2007\, 107 (6)\, 2757- 2785.\n3. Klibanov\, A. M.\, Improving enzymes by using them in organic so lvents. Nature 2001\, 409 (6817)\, 241-246.\n4. Hyde\, A. M.\; Zultanski\, S. L.\; Waldman\, J. H.\; Zhong\, Y.-L.\; Shevlin\, M.\; Peng\, F.\, Gene ral Principles and Strategies for Salting-Out Informed by the Hofmeister S eries. Organic Process Research & Development 2017\, 21 (9)\, 1355-1370.\n \nhttps://events01.synchrotron.org.au/event/122/contributions/3948/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3948/ END:VEVENT BEGIN:VEVENT SUMMARY:Effect of surfactant ionicity on critical micelle concentration in aqueous ionic liquid mixtures DTSTART;VALUE=DATE-TIME:20201119T023000Z DTEND;VALUE=DATE-TIME:20201119T025000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3947@events01.synchrotron.org.au DESCRIPTION:Speakers: Sachini Kadaoluwa Pathirannahalage (RMIT University) \nProtic ionic liquids are the largest known solvent class capable of prom oting surfactant self-assembly. However\, ILs are increasingly used as mix tures with molecular solvents\, such as water\, to reduce their cost\, vis cosity and melting point\, and the self-assembly promoting properties of t hese mixtures are largely unknown. Here we investigated the critical micel le concentration (CMC) of ionic and non-ionic amphiphiles in ethylammonium nitrate (EAN)-water mixtures to gain insight into the role of solvent spe cies\, and effect of solvent ionicity on the self-assembly process. The am phiphiles used were the cationic cetyltrimethylammonium bromide (CTAB)\, a nionic sodium octanoate sulfate (SOS)\, and the non-ionic surfactant tetra ethylene glycol monododecyl ether (C12E4). Surface tensiometry was used to obtain the CMCs and free energy parameters of micelle formation\, and Sma ll angle x-ray scattering (SAXS) was used to characterise the micelle shap e and size.\n\nThe EAN-water solvents displayed self-assembly results cons istent with a salt in water for EAN proportions below 5 mol% across all th ree surfactants\, leading to CMC values lower than the CMC observed in wat er. A steep incline in the CMC was observed for concentrations between 5 m ol% to 50 mol% of EAN for SOS and C12E4. However\, CTAB displayed more com plex behaviour where the CMC remained below the CMC of water until 33 mol% EAN. Across all surfactants\, a plateau in CMC values were observed at ve ry high EAN concentrations\, which could indicate that there is a shift in the dominant solvent beyond EAN concentrations of 50 mol%. This study fur thers our understanding of PIL solvent behaviour in ternary mixtures with amphiphiles.\n\nhttps://events01.synchrotron.org.au/event/122/contribution s/3947/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3947/ END:VEVENT BEGIN:VEVENT SUMMARY:Tracks\, Pores\, Cylinders and Cones: SAXS as a tool to study high -energy ion modified materials DTSTART;VALUE=DATE-TIME:20201119T020000Z DTEND;VALUE=DATE-TIME:20201119T023000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3946@events01.synchrotron.org.au DESCRIPTION:Speakers: Patrick Kluth (Australian National University)\nHeav y ions with MeV to GeV energies (also termed ‘swift heavy ions’) inter act predominately through inelastic interactions with the target electrons when penetrating a material. The resulting intense electronic excitation can produce narrow trails of permanent damage along the ion paths\, so cal led ‘ion tracks’. Ion tracks are generally between 5-20 nm in diameter \, tens of micrometers long and have been observed in many materials. They have numerous applications across a variety of scientific areas such as m aterials science and engineering\, nanotechnology\, geology\, archaeology\ , nuclear physics\, and interplanetary science. For example\, nanopores in polymer membranes are commercially produced using ion tracks by preferent ial chemical etching of the damaged material in the tracks. Tracks also na turally occur in minerals such as apatite and are widely used to determine the age and thermal history of geological sites.\n\nSmall angle x-ray sca ttering (SAXS) provides a powerful tool for characterizing both ion tracks and track etched nano-pores and enables *in situ* measurements in high-te mperature\, high-pressure and corrosive environments. Over the last decade we have developed a number of SAXS experiments and analytical methods to characterize ion tracks and track etched nano-pores with unprecedented pre cision. The presentation will give an overview over some of the developmen ts including *in situ* nanopore etching in polymers\, temperature induced track recovery in minerals under high-pressure and the temperature depende nt elastic response of cylindrical tracks in silica.\n\nhttps://events01.s ynchrotron.org.au/event/122/contributions/3946/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3946/ END:VEVENT BEGIN:VEVENT SUMMARY:Investigation of a 3D-crosslinked nonconjugated Radical Polymer to Tune Electrical Conductivity DTSTART;VALUE=DATE-TIME:20201119T031000Z DTEND;VALUE=DATE-TIME:20201119T033000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3945@events01.synchrotron.org.au DESCRIPTION:Speakers: Ahmed Al-Qatatsheh (Swinburne University of Technolo gy)\nOrganic-based high-performance semiconductor research has attracted s ignificant attention not long ago because of their promising performance. Since the morphology of the solution-processed conductive polymers\, used in organic semiconductors\, affects the intrinsic charge transport charact eristics and mechanical properties\, several strategies have been searched to control molecular ordering and alignment enhancing performance. Also\, improving performance requires using a measurement technique for molecula r orientation and a molecular dynamics simulation approach to predict elec trical and mechanical properties.\nOur work presents a protocol that adopt s the four angles technique to provide an accurate measurement of molecula r orientation and a Hamiltonian Monte Carlo simulation to investigate char ge transport characteristics. The four angle technique offers precise info rmation on the molecular orientation of selected molecules utilizing the a lignment of the electric vector of the Polarised Infrared probing beam wit h the dipole oscillation corresponding to the absorbing frequency of a spe cific functional group. In contrast\, the Monte Carlo simulation algorithm can generate polymeric molecular chains following a standard random walk controlled by Hamiltonian parametrized utilizing Ab Initio calculations. T his simulation will depend on radical concentration\, the distance between radicals\, and radical orientation to the polymer backbone\, allowing to investigate the effect of radical and defect densities on the formation of the percolation network\, which supports designing conductive polymers wi th high conductivity. \nKey Words:\nFour Angle Approach\, Organic-based high-performance semiconductor\, Nonconjugated radical polymer\, Monte Car lo Simulation\, Hamiltonian parametrized utilizing Ab Initio calculations. \n\nhttps://events01.synchrotron.org.au/event/122/contributions/3945/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3945/ END:VEVENT BEGIN:VEVENT SUMMARY:Chemical Crystallography at the Australian Synchrotron Macromolecu lar Beamlines DTSTART;VALUE=DATE-TIME:20201119T025000Z DTEND;VALUE=DATE-TIME:20201119T031000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3944@events01.synchrotron.org.au DESCRIPTION:Speakers: Jason Price ()\nThe macromolecular (MX) beamlines at the Australian Synchrotron are mixed use between the structural biology ( PX) and chemical crystallography (CX) communities. Since commissioning the high throughput MX1 bending magnet and the MX2 microfocus undulator beaml ines have proven very successful for both communities. \n\nWith the deploy ment of upgrades to the optics\, endstation and detectors\, the beamlines are able to produce data at an astounding rate with high throughput crysta llography the norm. For the calendar year of 2019\, 51 million Eiger 16M f rames were collected on MX2 equating to ~5 Petabytes of uncompressed data. \n\nThis increase in throughput necessitates the development of tools to g ive rapid feedback on data quality. There has also been the opportunity to develop automated collection of multiple CX datasets. An overview of thes e new tools will be presented.\n\nhttps://events01.synchrotron.org.au/even t/122/contributions/3944/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3944/ END:VEVENT BEGIN:VEVENT SUMMARY:Developing High Pressure Single Crystal Crystallography at MX DTSTART;VALUE=DATE-TIME:20201119T023000Z DTEND;VALUE=DATE-TIME:20201119T025000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3943@events01.synchrotron.org.au DESCRIPTION:Speakers: Stephanie Boer (Australian Synchrotron)\nPressure is an important thermodynamic variable\, but its effects on chemical systems have been explored to a much smaller extent than that of temperature. Hig h pressure has been shown to induce significant geometrical\, configuratio nal and conformation changes within chemical systems. \n\nThe development of diamond anvil cells (DACs) in recent years has allowed the study of che mical systems under high pressure by single crystal X-ray crystallography. This has enabled the analysis of the molecular structure of materials at high pressure\, which is invaluable for an increased understanding of thei r properties. Pressure has been shown to be an important tool in the chara cterisation of structure-property relationships in porous materials\, such as metal organic frameworks (MOFs). High pressure has been used as a usef ul tool for investigating the stability of MOFs\, as well as their mechani cal properties such as elasticity\, stiffness\, and hardness.\n \nA diamon d anvil cell contains two opposing diamonds which between them create a sa mple chamber which can reach pressures of up to 10 GPa. The macromolecular crystallography (MX) beamlines at the Synchrotron are a pair of dual-purp ose beamlines serving the needs of the Australasian structural biology and chemical crystallography community. The development of small DACs which c an be easily mounted on a goniometer has opened the possibility to conduct high pressure crystallography on the MX beamlines\, without major changes to the beamline setup. This development of beamline capability will enabl e users to study chemical systems at high pressure in order to better unde rstand their properties and study the geometric changes which occur at hig h pressure.\n\nhttps://events01.synchrotron.org.au/event/122/contributions /3943/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3943/ END:VEVENT BEGIN:VEVENT SUMMARY:Understanding the Mechanisms Bending in Flexible Crystals DTSTART;VALUE=DATE-TIME:20201119T020000Z DTEND;VALUE=DATE-TIME:20201119T023000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3941@events01.synchrotron.org.au DESCRIPTION:Speakers: Jack Clegg (The University of Queensland)\nAmy J. Th ompson\, a Anna Worthy\, b Arnaud Grosjeana Jason R. Price\,c John C. McMu rtrie\, b and Jack K. Clegg*a\naSchool of Chemistry and Molecular Bioscie nces\, The University of Queensland\, Brisbane St Lucia\, QLD\, Australia\ , 4072\nbSchool of Chemistry\, Physics and Mechanical Engineering\, Queens land University of Technology\, Brisbane 4001\, Australia\ncANSTO Melbourn e\, The Australian Synchrotron\, 800 Blackburn Rd\, Clayton\, Vic 3168\, A ustralia.\n\nE-mail: j.clegg@uq.edu.au\nA crystal is normally thought of a s a homogenous solid formed by a periodically repeating\, three-dimensiona l pattern of atoms\, ions\, or molecules. Indeed\, the regular arrangement of molecules\, in a single crystal lead to many useful characteristics (i n addition to diffraction!) including unique optical and electrical proper ties\, however\, molecular crystals are not typically mechanically robust\ , particularly compared to crystals of network solids like diamond. Upon t he application of stress or strain\, these crystals generally irreversibly deform\, crack or break resulting in the loss of single crystallinity. \n We have recently discovered a class of crystalline compounds that display the intriguing property of elastic flexibility – that is they are capabl e of reversibly bending without deforming\, cracking or losing crystallini ty. A number of these crystals are flexible enough to be tied into a knot! (See Figure 1). We have developed a unique approach to determine the atom ic-scale mechanism that allows the bending to occur which employs mapping changes in crystal structure using micro-focused synchrotron radiation. We have applied this technique to understand the deformation in both elastic ally1 and plastically2 flexible crystals. Most recently we have used it t o show that previous theories regarding the requirement of “interlocked ” crystal packing for flexibility is incorrect.\n \nFigure 1: A crystal of [Cu(acac)2] showing elastic flexibility.\n\n A. Worthy\, A. Grosjean\, M. Pfrunder\, Y. Xu\, C. Yan\, G. Edwards\, J. K. Clegg and J. C. McMurtr ie\, “Atomic Resolution of Structural Changes in Elastic Crystals of Cop per(II) acetylacetonate”\, Nature Chemistry\, 2018\, 65-69.\n2 S. Bhanda ry\, A. J. Thompson\, J. C. McMurtrie\, J. K. Clegg\, P. Ghosh\, S. R. N. K. Mangalampalli\, S. Takamizawa\, and D. Chopra\, “The mechanism of be nding in a plastically flexible crystal.” Chem. Commun.\, 2020\, 12841-1 2844.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/3941/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3941/ END:VEVENT BEGIN:VEVENT SUMMARY:A structural and functional investigation of the periplasmic arsen ate-binding protein\, ArrX from Chrysiogenes arsenatis DTSTART;VALUE=DATE-TIME:20201119T004000Z DTEND;VALUE=DATE-TIME:20201119T010000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3942@events01.synchrotron.org.au DESCRIPTION:Speakers: Nilakhi Poddar ()\nArsenic is a toxic metalloid foun d both naturally in the environment and as a harmful pollutant generated f rom industrial waste waters and gold mines. Arsenic can exist in both orga nic and inorganic forms and in four oxidation states: arsines and methyl a rsines (As3-)\, elemental arsenic (As0)\, arsenite (AsO33-) and arsenate ( AsO43-). Although arsenic is toxic and hazardous to human health\, some pr okaryotes have developed unique mechanisms that utilise inorganic forms of arsenic\, such as arsenite (AsO33-) and arsenate (AsO43-) for respiration [2].\nSuch prokaryotes include Rhizobium NT-26 and Chrysiogenes arsenatis which utilise the arsenite oxidase enzyme (Aio) and the arsenate reductas e enzyme (Arr)\, respectively for their crucial respiratory activities. In these bacteria\, the periplasmic binding proteins (PBPs) AioX and ArrX bi nd to arsenite (AsO33-) and arsenate (AsO43-)\, respectively and trigger\, through sensor histidine kinase signalling\, the expression of their resp ective respiratory enzymes [3]. The structure of the AioX protein has been previously reported in the presence and absence of arsenite (AsO33-) [4]. In order to investigate the structural basis of arsenate (AsO43-) binding to the ArrX protein\, we determined its crystal structure in the presence and absence of substrate. This presentation will describe the structure o f ArrX and a structural comparison between it and that of the AioX protein \, in order to determine the molecular mechanisms by which these proteins discriminate between the chemically similar substrates arsenate (AsO43-) a nd arsenite (AsO33-).\nKeywords: arsenate\, Chrysiogenes arsenatis\, perip lasmic binding protein (PBP)\, X-ray crystallography.\n\nReferences:\n[1] Brinkel\, K.K. et al. (2009). Int. Journal of Environmental Research and P ublic Health 6: 1609-1619.\n[2] Gadd et al. (2000). Current opinion in bio technology 11: 271-279.\n[3] Stolz JF\, Basu P\, Oremland RS (2002) Microb ial transformation of elements: the case of arsenic and selenium. Int Micr obiol 5: 201-7\n[4] Badilla et al. (2018). Scientific reports 8: 6282.\n\n https://events01.synchrotron.org.au/event/122/contributions/3942/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3942/ END:VEVENT BEGIN:VEVENT SUMMARY:A Vδ3+ subset of MR1 reactive γδ T cells recognise the side of the MR1 molecule DTSTART;VALUE=DATE-TIME:20201119T031000Z DTEND;VALUE=DATE-TIME:20201119T033000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3939@events01.synchrotron.org.au DESCRIPTION:Speakers: Michael Rice (Monash University)\nT cells are broadl y categorised by their expression of either an αβ or γδ T cell recepto r (TCR). Whilst αβ T cells are comprehensively understood γδ T cells a re ill-defined but are increasingly realised to be an important T cell sub set that display both innate- and adaptive-like immune functions. The MHC class 1 related protein (MR1)\, presents bacterial vitamin B metabolites t o αβ mucosal associated invariant T cells (MAIT). MAIT cell TCR’ bind atop MR1 in a conventional fashion\, contacting the α1 and α2 helices wh ich comprise the MR1 antigen presenting pocket\, as well as contacting the ligand directly. Recently\, published in Science we identified that γδ T cells recognised MR1 but did so irrespective of the ligand being present ed. Analysis of a Vδ1+ γδ TCR in complex with MR1 revealed\, an unusual docking mode binding underneath the MR1 antigen presenting groove. This w as in stark contrast to the conventional MAIT TCR-MR1 interactions and all other TCR complex structures to date. Here\, we present biochemical and s tructural analysis of a Vδ3+ MR1 restricted TCR which bound along the sid e of MR1\, adopting another novel TCR docking topology and making no conta cts with the presented antigen. Ultimately\, our results expand the knowle dge of MR1 restricted γδ TCR’s shedding further light on the unusual d ocking modes that γδ TCR’s likely employ more broadly.\n\nhttps://even ts01.synchrotron.org.au/event/122/contributions/3939/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3939/ END:VEVENT BEGIN:VEVENT SUMMARY:Assessment of bone microarchitecture and mineralisation changes in an animal model of inflammatory bowel disease using high-resolution synch rotron-based microCT DTSTART;VALUE=DATE-TIME:20201119T025000Z DTEND;VALUE=DATE-TIME:20201119T031000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3938@events01.synchrotron.org.au DESCRIPTION:Speakers: Damian Myers (The University of Melbourne and the Au stralian Institute for Musculoskeletal Science (AIMSS))\n**Background:** T he Winnie-*muc2* mouse (C57BL/6 background) exhibits pathophysiology of in flammatory bowel disease and other organ system changes\, providing an opp ortunity to study bone loss related to malabsorption and other factors. We hypothesised that both bone microstructure and mineralisation may differ in Winnie-*muc2* mice so performed temporal studies using high-resolution synchrotron-based microCT (HR-S-uCT).\n \n**Aim:** To characterise cortica l and trabecular metrics in Winnie-*muc2* vs C57BL/6 mice including bone v olume\, bone mineral density (BMD) and other ultrastructural parameters.\n \n**Methods:** Male and female animals (4-7/group) were euthanised after c ardiac perfusion (4% PFA) at 6\, 14 and 24 wks and femurs harvested then s tored in 10% formol saline. MicroCT images were acquired at the Australian Synchrotron (25keV beam\, 1800 projections\, 6.82 u3 isotropic volumes\, at 2-3 mm below condyls). Volumes were reconstructed using X-TRACT (CSIRO) \, trimmed using Image-J and processed using the BMA module in Analyze14.0 (Mayo Clinic). \n\n**Results:** \n 1. In Winnie-*muc2* males (vs C57BL/6) \, whole Bone Volume (Ctx+Tb) was 26% lower at 24 wks (0.99 mm3\, IQR 0.82 -1.155 vs 1.34 mm3\, IQR 1.28-1.39 p=0.021) and in Winnie-*muc2* females ( vs C57BL/6 females)\, whole BV was less at 14 and 24wks (21% p=0.011\, and 9% p=0.021\, respectively) with both female groups decreasing over time.\ n 2. Tb vBMD was sustained over time for all groups but Tb Tissue vBMD (Tb +IntraTb) was lower at 14 and 24wks in Winnie-*muc2* males (vs C57BL/6 mal es p=0.047 and 0.021) and at 14 wks in females (vs C57BL/6 females\; p=0.0 33).\n 3. Tb Tissue BMD in Winnie-*muc2* males (vs C57BL/6 males) was 21% less at 14 wks (155 mg/cc\, IQR 131-173 vs 203 mg/cc\, IQR 175-215 p=0.043 ) and 32% less at 24wks (116 mg/cc\, IQR 105-128 vs 174 mg/cc\, IQR 168-17 5\, p=0.021). In females\, both C57BL/6 and Winnie-*muc2* showed similar t emporal decreases over 6 to 24wks (both p=0.021). \n 4. Whilst Tb BMD was sustained in Winnie-*muc2* and C57BL/6 males\, C57BL/6 females showed an i ncrease from 6 to 24wks (p=0.021)\, however\, the Winnie-*muc2* group did not change over time (p>0.05)\, indicating compromised mineralisation of t rabeculae in female Winnie-*muc2*.\n\n**Conclusion:** HR-S-uCT analysis re veals microarchitectural and BMD changes in the Winnie-*muc2* that highlig ht the value of this model to study bone microarchitecture. This model exh ibits severe bone loss and altered mineralisation and\, through the capabi lities of the Australian Synchrotron\, will enable the study of mechanisms and potential treatments for diverse bone lytic diseases.\n\nhttps://even ts01.synchrotron.org.au/event/122/contributions/3938/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3938/ END:VEVENT BEGIN:VEVENT SUMMARY:Capturing lung health in animal models of ventilator-induced lung injury and cystic fibrosis using 4D X-ray imaging DTSTART;VALUE=DATE-TIME:20201119T023000Z DTEND;VALUE=DATE-TIME:20201119T025000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3940@events01.synchrotron.org.au DESCRIPTION:Speakers: Melissa Preissner (Monash University)\n**Introductio n:**\nLung disease\, including chronic respiratory conditions and thoracic cancers\, is Australia’s second leading cause of death [1]. Furthermore \, the current COVID-19 pandemic has acutely highlighted the importance of understanding acute respiratory distress syndrome and mechanical ventilat ion. Lung health is typically measured in the clinic by functional measure s such as spirometry and structural measures from CT images\, but neither can identify regional changes in lung function. The regional manifestation of lung disease and the dynamic nature of the lung means that experimenta l *in vivo* 4D X-ray imaging is ideal for detailed analysis of the lung in health and disease. The imaging and medical beamline (IMBL) at the Austra lian Synchrotron provides a wide\, monochromatic X-ray beam\, with suitabl e flux for high-speed *in vivo* imaging of small animals such as mice and rats. Here\, we demonstrate the methods and preliminary results from two s tudies of dynamic lung imaging and X-ray velocimetry (4DXV) [2] analysis o f mouse models of ventilator-induced lung injury and rat models of cystic fibrosis-like lung disease.\n\n**Methods:**\nThe X-ray beam was set to an energy of 25 - 30 keV\, with exposure lengths of between 0.02 - 0.04 secon ds\, suitable for the imaging of lung tissue in either mice or rats (respe ctively). The sample-to-detector distance was 3 metres\, for capturing pro pagation-based phase contrast images of the lungs. Animals were anaestheti sed\, surgically intubated (according to University of Tasmania and Univer sity of Adelaide animal ethics committee approvals)\, and attached to a sm all animal ventilator (4DMedical) to acquire breath-cycle gated images. \n \nA four-dimensional computed tomography image acquisition was conducted w ith 12133 projection images of the lungs captured over a 182 degree rotati on for one 4DCT scan. This resulted in 15 phases (CT images) in the 4DCT s equence and took 3.5 - 11 minutes\, depending on the mechanical ventilatio n rate. The Ruby X-ray detector was used with a pixel size of between 19 - 24 μm. The X-ray beam width (field-of-view) was set to either 2.4 cm (fo r mouse lungs) or 4 cm (for rat lungs).\n\nProjection images were captured as hierarchical data format version 5 (hdf5) and binned into the phases o f the breath cycle on the Australian Synchrotron’s computing infrastruct ure environment (ASCI). Customised code provided integration of the projec tion images with the CSIRO X-TRACT CT reconstruction software [3]\, whereb y images were reconstructed using the transport-of-intensity equation (TIE ) phase retrieval algorithm [4]. The reconstructed CTs from both studies w ere transferred to MASSIVE\, a dedicated computing cluster environment for image processing and visualisation [5]\, and the 4DXV analysis [2] was ap plied to the data. \n\n**Results:**\nAn example of a resulting CT of a mou se lung is shown as a slice image in panel (c) of the figure. 4DXV results are shown in the figure from a normal rat (a) before\, and (b) after deli very of sterile agar beads into a single lobe of the lung. The colour bar represents the lung tissue expansion (in voxels)\, whereby the dark blue r egion indicates a region of low expansion\, due to the agar beads blocking the airways\, in a similar manner to the mucus obstructions that are a ha llmark of cystic fibrosis disease. Panel (c) shows the lung detail from a CT slice of mouse lungs from the ventilator-induced lung injury study\, ta ken at the beginning of mechanical ventilation\, with a peak inspiratory p ressure of 12 cmH2O and zero positive end-expiratory pressure. The scale b ar represents 2 mm. The anatomical detail of the lung can be seen as airwa ys (1)\, blood vessels (2)\, lobe fissures (3) and fat and muscle layers ( 4).\n\n**Conclusions:**\nWe have successfully performed dynamic *in vivo* CT imaging and 4DXV analysis of lungs on the Australian Synchrotron IMBL. We have investigated two pre-clinical models: a rat model of cystic fibros is-like disease\, and a mouse model of ventilator-induced lung injury. In addition to the on-going studies of ventilator-induced lung injury\, new p re-clinical studies are planned for testing the efficacy of novel drugs fo r the treatment of antibiotic-resistant bacterial lung infections.\n\n**Ac knowledgements:** MASSIVE HPC facility (www.massive.org.au)\, ARC DECRA (S D)\, ARC Future Fellowship (KM)\, NHMRC APP1160774 (GZ\, KM\, SD)\, NHMRC APP1160011 (DP\, MD\, KM)\, Australian Synchrotron beamtime grants (14690\ , 11727\, 12061\, 12926).\n\n**Keywords:** 4DCT\, X-ray velocimetry\, smal l animal imaging\, lung imaging\, mechanical ventilation\, ventilator-indu ced lung injury\, cystic fibrosis.\n\n**References:**\n\n[1] Australian Bu reau of Statistics – Australia’s leading causes of death\, 2016. \n\n[ 2] Dubsky S\, Hooper S\, Siu KKW\, and Fouras A\, “Synchrotron-based dyn amic computed tomography of tissue motion for regional lung function measu rement”. J. R. Soc. Interface 9\, 2213-2224\, 2012.\n\n[3] Gureyev TE\, Nesterets Y\, Ternovski D\, Thompson D\, Wilkins SW\, Stevenson AW\, Tayl or JA\, “Toolbox for advanced X-ray image processing. Advances in Comput ational Methods for X-Ray Optics II”\, 8141\, 1-14\, 2011.\n\n[4] Pagani n\, D\, Mayo SC\, Gureyev TE\, Miller PR\, and Wilkins SW. "Simultaneous p hase and amplitude extraction from a single defocused image of a homogeneo us object." Journal of microscopy 206\, no. 1: 33-40\, 2002.\n\n[5] Goscin ski\, WJ\, Hines C\, McIntosh P\, Bambery K\, Felzmann U\, Hall C\, Maksim enko A\, Panjikar S\, Paterson D\, and Tobin M. "MASSIVE: An HPC Collabora tion To Underpin Synchrotron Science." 15th International Conference on Ac celerator and Large Experimental Control Systems (ICALEPCS 2015)\, Melbour ne\, 2015.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/ 3940/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3940/ END:VEVENT BEGIN:VEVENT SUMMARY:Phase-contrast tomography for breast cancer imaging at Imaging and Medical Beamline of the Australian Synchrotron DTSTART;VALUE=DATE-TIME:20201119T020000Z DTEND;VALUE=DATE-TIME:20201119T023000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3937@events01.synchrotron.org.au DESCRIPTION:Speakers: Timur Gureyev (the University of Melbourne)\nT. E. G ureyev1\,2\,3\,4\, B. Arhatari5\,6\, A. Aminzadeh1\, Ya. I. Nesterets7\,4\ , S. T. Taba2\, E. Vafa2\, S. C. Mayo7\, D. Thompson7\,4\, D. Lockie8\, J. Fox3\, B. Kumar3\, Z. Prodanovic3\, D. Hausermann5\, A. Maksimenko5\, C. Hall5\, A. G. Peele5\,6\, M. Dimmock3\, K. M. Pavlov9\,3\,4\, S. Lewis2\, G. Tromba10\, H. M. Quiney1 and P. C. Brennan2\n1 The University of Melbou rne\, Parkville 3010\, Australia\n2 The University of Sydney\, Lidcombe 21 41\, Australia\n3 Monash University\, Clayton 3800\, Australia\n4 Universi ty of New England\, Armidale 2351\, Australia\n5 Australian Synchrotron\, ANSTO\, Clayton 3168\, Australia\n6 La Trobe University\, Bundoora 3086\, Australia\n7 Commonwealth Scientific and Industrial Research Organisation\ , Clayton 3168\, Australia\n8 Maroondah BreastScreen\, Ringwood East 3135\ , Australia\n9 University of Canterbury\, Christchurch 8041\, New Zealand\ n10 Elettra Sincrotrone\, 34149 Basovizza\, Trieste\, Italy\nElectronic ma il: timur.gureyev@unimelb.edu.au\n\nAbstract\nBreast cancer is one of the two leading causes of cancer fatalities among women in most industrialized countries. This type of cancer is very aggressive\, with success of the t reatment depending heavily on early detection. Health authorities in most countries recommend regular screening of women over a particular age\, wit h 2D X-ray mammography being the main screening and diagnostic technique. Unfortunately\, mammography produces a relatively high percentage of both false-positive and false-negative results. In this research\, we aim at de fining and developing a practical imaging setup for whole breast imaging u sing propagation-based phase-contrast computed tomography (PB-CT) in such a way that\, compared to the best presently utilised medical X-ray imaging techniques: (a) the quality and the diagnostic value of the obtained 3D i mages are higher\, (b) the delivered radiation dose is lower and (c) the n eed for painful breast compression is removed. To date\, we have imaged 95 unfixed complete mastectomy samples with and without breast cancer lesion s using absorption-only CT and PB-CT techniques at the Imaging and Medical Beamline (IMBL) of the Australian Synchrotron. The radiation doses delive red to the mastectomy samples during the scans were comparable to those ap proved for mammographic screening. Physical characteristics of the reconst ructed images\, such as spatial resolution and signal-to-noise ratio\, and radiologic quality were assessed and compared to conventional absorption- based CT. Our results demonstrate that PB-CT holds a high potential for im proving on the quality and diagnostic value of images obtained using exist ing medical X-ray technologies\, such as mammography and digital breast to mosynthesis. When implemented at IMBL in 2021\, PB-CT will be used to comp lement existing medical breast imaging modalities\, leading to more accura te breast cancer diagnosis [1\, 2].\n[1] S.T. Taba et al.\, Am.J.Roentgen. \, 211\, 133-145 (2018).\n[2] T.E. Gureyev et al.\, Med.Phys.\, 46\, 5478- 5487 (2019).\n\nhttps://events01.synchrotron.org.au/event/122/contribution s/3937/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3937/ END:VEVENT BEGIN:VEVENT SUMMARY:Probing the cell wall response of Sphagnum moss to a changing aque ous chemical environment. A synchrotron infrared microscopy study. DTSTART;VALUE=DATE-TIME:20201119T004000Z DTEND;VALUE=DATE-TIME:20201119T010000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3936@events01.synchrotron.org.au DESCRIPTION:Speakers: Annaleise Klein (ANSTO)\n*Sphagnum* is an important species of moss in peatland ecosystems and subsequently plays a vital role in carbon sequestration. Understanding its physiology is essential for pr edicting the possible impacts of a changing climate. In particular\, the c ell wall tissue of *Sphagnum* is composed of a high proportion of carboxyl ated polysaccharides\, acting as ion exchangers\, and is therefore sensiti ve to changes such as pH and metal ion concentrations in the surrounding e nvironment. Using synchrotron infrared microscopy coupled with a flow-thro ugh liquid cell\, the influence of pH and metal ions (Na+ and Ca2+) on the cell wall chemistry of freshly sectioned *Sphagnum cristatum* stems was i nvestigated. The carboxylate functional groups in the cell wall were shown to behave as a monoprotic aliphatic acid with an acid dissociation consta nt (pKa) of 4.97–6.04. Furthermore\, the cell wall material showed a hig h affinity for calcium\, with the binding constant (K) determined to be 10 3.9–104.7 for a 1:1 complex. These results allow for the prediction of e nvironmental chemical conditions for which calcium uptake in *Sphagnum* ca n occur\, and improves our ability to understand the patterns of distribut ion of *Sphagnum* in the environment.1\n\n1Silvester et al. (2018) Environ . Chem. 15\, 513.\n\nhttps://events01.synchrotron.org.au/event/122/contrib utions/3936/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3936/ END:VEVENT BEGIN:VEVENT SUMMARY:XFM analysis of marsupial teeth - insights into life\, growth and reproduction DTSTART;VALUE=DATE-TIME:20201119T002000Z DTEND;VALUE=DATE-TIME:20201119T004000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3935@events01.synchrotron.org.au DESCRIPTION:Speakers: William Parker (School Of Biological Sciences\, Mona sh University\, Melbourne\, Victoria\, Australia)\nMammal species vary in how much time and energy they invest in growth\, reproduction and developm ent throughout their lifetime\, summarised collectively as their ‘life h istory’. Knowledge of such differences among species helps us understand how they trade off these factors of their life history\, yet\, due to var iability between populations\, the logistical challenge of multi-year obse rvational studies and extinction these data can be very difficult or impos sible to collect. Elemental indicators of life history\, environment and d iet are mineralised into an animal’s hard tissues as they develop increm entally. Our research\, using the X-Ray Fluorescence Microscopy (XFM) beam line of the Australian Synchrotron\, focuses on unlocking biological infor mation from the teeth of Australian marsupials. We have analysed the secti oned teeth of a range of living (e.g. *Macropus giganteus*\, *Notamacropus eugenii* & *Vombatus ursinus*) and extinct (e.g. *Macropus giganteus tita n* & *Diprotodon optatum*) marsupials. Our novel results indicate that str ontium is a particularly powerful indicator of life history in marsupials. A gradual rise in strontium concentration tracks the progression of weani ng\, with subsequent oscillations following a likely seasonal dietary sign al. Furthermore\, calcium reflects the varying degree of mineralisation of tooth enamel and dentine\, while zinc is preferentially deposited in the outer enamel layers. These results\, applicable to both living and extinct marsupials\, indicate that trace element mapping can provide unique insig hts into the life history of Australia’s living marsupials and extinct m arsupial megafauna.\n\nhttps://events01.synchrotron.org.au/event/122/contr ibutions/3935/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3935/ END:VEVENT BEGIN:VEVENT SUMMARY:The use of synchrotron X-ray fluorescence microscopy to study the “battle for nutrients” between plant and pathogen DTSTART;VALUE=DATE-TIME:20201119T000000Z DTEND;VALUE=DATE-TIME:20201119T002000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3934@events01.synchrotron.org.au DESCRIPTION:Speakers: Fatima Naim (Centre for Crop and Disease Management\ , School of Molecular and Life Sciences\, Curtin University\, Bentley\, We stern Australia 6102\, Australia)\nMetal homeostasis is essential to norma l plant growth and development. The balance is potentially impacted during plant-pathogen interactions as the host and pathogen compete for the same nutrients. Our knowledge of outcome of the interaction in terms of metal homeostasis is still limited. Here\, we visualise and analyse the fate of nutrients in wheat leaves infected with a devastating pathogen\, by high-r esolution X-ray fluorescence microscopy (XFM). We employed XFM\, at the AN STO Australian synchrotron\, for a detailed time-course of nutrient re-dis tribution in wheat leaves infected with Pyrenophora tritici-repentis (Ptr) to (i) evaluate the utility of XFM for spatially mapping the essential mi neral nutrients in wheat leaves at sub-micron level\, and (ii) examine the spatiotemporal impact of a necrotrophic fungus on nutrient re-distributio n in wheat leaves. The XFM maps of K\, Ca\, Fe\, Cu\, Mn\, and Zn revealed substantial hyperaccumulation and depletion within and around the infecte d region relative to uninfected control leaf tissue. We were able to visua lise fungal mycelia as threadlike structures in the Cu and Zn maps. The hy peraccumulation of Mn in the lesion and localised depletion in asymptomati c tissue surrounding the lesion was particularly striking. Interestingly\, Ca accumulated within and closer to the periphery of symptomatic region\, often observed as micro-accumulations aligning with fungal mycelia. These disruptions may reflect secondary strategies used by the fungus to induce cell death\, localised defence mechanisms used by the plant or wound resp onses. Collectively\, our results highlight that synchrotron-based XFM ima ging provides capability for high resolution mapping of elements for probi ng nutrient distribution in hydrated diseased leaves in situ.\n\nhttps://e vents01.synchrotron.org.au/event/122/contributions/3934/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3934/ END:VEVENT BEGIN:VEVENT SUMMARY:Light on the details: exploring the nano-silver behaviour at the p lant-soil interface DTSTART;VALUE=DATE-TIME:20201118T233000Z DTEND;VALUE=DATE-TIME:20201119T000000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3933@events01.synchrotron.org.au DESCRIPTION:Speakers: Ryo Sekine (USC)\nOver the past decade\, significant advances have been made towards understanding the fate and impact of engi neered nanomaterials (ENMs) in the environment\, driven by concerns over t heir unique nanoscale properties and their increasing abundance in the mar ket [1]. Synchrotron-based X-ray Absorption Spectroscopy (XAS) has played a key role in these advances\, giving insights to the chemical speciation of common ENMs in environmental matrices\, a key determinant of the potent ial fate and effects in the environment. The speciation of commonly studie d metal-based ENMs (Zn\, Cu and Ag) determined by XAS in the environmental matrices to which they are likely to released\, often resemble their non- nano (ionic) counterparts (for example [2-4]). In these cases\, understand ing the transformation from nanomaterial to dissolved form helped to predi ct impacts. However\, this is not always the case\, for example sulfidatio n of Ag in waste streams results in different speciation which have been s hown to alter environmental fate and toxicity. XAS has been vital in demon strating this and has consequently\, together with an array of analytical and predictive tools on their behaviour\, transport and fate\, have greatl y advanced our understanding of ENMs and their potential impact on the env ironment. \n\nHowever\, while our general understanding has greatly advanc ed\, the exponential rate at which nanotechnology is expanding precludes t he case-by-case experimental assessment of every nano-enabled product. The refore\, there is a need for predictive tools that enable stakeholders\, s uch as manufacturers\, regulators and consumers\, to assess the potential fate and impact of their ENM products in the environment. Furthermore\, an understanding of how ENMs interact with the environment to which they are released (e.g. varying soil characteristics\, interactions with biota) ne eds to be improved [5]. Recently\, as part of a purposely designed experim ent towards the development of such tools within the European NanoFASE pro ject [6]\, we examined the speciation\, kinetics and the distribution of s ilver nanomaterials (nano-Ag) in three different soils cropped with wheat. In particular\, there was a focus on resolving the nano-Ag behaviour at the soil-plant interface via operationally defined regions of proximity an d interplay with the plant roots. We will present the key results from th ese experiments\, demonstrate how XAS was used at two different facilities to provide complementary insights\, and finally give some consideration t o how the results improve our understanding towards future exposure assess ment tools.\n\nReferences: [1] The Nanodatabase. 2011-2019\, https://nanod b.dk/. [2] Sekine\, R. et al. 2014. Environ. Sci. Tech. 49: 897-905. [3] W ang P\, et al. 2016. Environ. Sci. Tech. 50: 8274-8281. [4] R. Sekine et a l. J. Environ. Qual. 46: 1198-1205 (2017). [5] Pradas del Real\, A.E. et a l. 2017. Environ Sci. Tech. 51: 5774-5782. [6] NanoFASE: Nanomaterial Fate and Speciation in the Environment\, 2015-2019\, http://nanofase.eu.\n\nht tps://events01.synchrotron.org.au/event/122/contributions/3933/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3933/ END:VEVENT BEGIN:VEVENT SUMMARY:The Structure and Air Stability of Calcium and Magnesium Intercala ted Graphene on 6H-SiC(0001) DTSTART;VALUE=DATE-TIME:20201119T004000Z DTEND;VALUE=DATE-TIME:20201119T010000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3932@events01.synchrotron.org.au DESCRIPTION:Speakers: Jimmy Kotsakidis (Monash University)\nCalcium interc alated graphene has been shown to exhibit superconductivity below 2 K\, ye t its structure has remained elusive in the literature to date. Furthermor e\, the intercalation of Mg underneath epitaxial graphene on SiC(0001) has not been reported. In this talk\, epitaxial monolayer graphene samples sy nthesised on 6H-SiC(0001) are utilised to investigate calcium and magnesiu m intercalated graphene. By making use of low energy electron diffraction\ , X-ray photoelectron spectroscopy and secondary electron cut-off photoemi ssion techniques available at the Australian Synchrotron Soft X-ray Beamli ne\, and the scanning tunnelling microscope at Monash University\, we are able to elucidate the structure of these intercalated systems.\n\nWe find that Ca intercalates underneath the buffer layer and bonds to the Si-termi nated SiC surface\,breaking the C−Si bonds of the buffer layer\, i.e.\, “freestanding” the buffer layer to form Ca-intercalated quasi-freestan ding bilayer graphene (Ca-QFSBLG). The situation is similar for the Mg-int ercalation of epitaxial graphene on SiC(0001)\, where an ordered Mg-termin ated reconstruction at the SiC surface is formed and Mg bonds to the Si-te rminated SiC surface are found\, resulting in Mg-intercalated quasi-freest anding bilayer graphene (Mg-QFSBLG). Ca-intercalation underneath the buffe r layer has not been considered in previous studies of Ca-intercalated epi taxial graphene. Furthermore\, we find no evidence that either Ca or Mg in tercalates between graphene layers. However\, we do find that both Ca-QFSB LG and Mg-QFSBLG exhibit very low work functions of 3.68 and 3.78 eV\, res pectively\, indicating high n-type doping. Upon exposure to ambient condit ions\, we find Ca-QFSBLG degrades rapidly\, whereas Mg-QFSBLG remains rema rkably stable.\n\nhttps://events01.synchrotron.org.au/event/122/contributi ons/3932/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3932/ END:VEVENT BEGIN:VEVENT SUMMARY:USING SYNCHROTRON RADIATION TO MAP THE METALLO-MAZE TO MEMORY LOSS DTSTART;VALUE=DATE-TIME:20201118T233000Z DTEND;VALUE=DATE-TIME:20201119T000000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3929@events01.synchrotron.org.au DESCRIPTION:Speakers: Mark J. Hackett (School of Molecular and Life Scienc es\, Curtin University)\nTransition metals such as Fe\, Cu\, Zn are essent ial for brain function\, because they enable energy production\, metabolis m\, and neurotransmitter synthesis. Disturbed brain metal homeostasis has been observed in the ageing and degenerating brain (e.g.\, Alzheimer’s d isease). Elevated levels of Fe\, Cu\, Zn are frequently observed in to spa tially associate with markers of brain pathology (e.g. elevated metal cont ent within amyloid plaques). Due to the redox active nature of Fe and Cu ( e.g.\, classic Fenton Chemistry pathways) there is much interest in the ro le metal ion catalyzed free radical production and oxidative stress may ho ld in driving cognitive decline.\nThere is extensive literature studying p ossible roles for Fe and Cu overload during natural ageing and neurodegene ration\; yet in our studies at the XFM beamline of the Australian Synchrot ron we have not observed any direct increase in Fe or Cu concentration wit hin hippocampal neurons\, in rodent models of natural ageing or dementia. Indeed\, under certain conditions we have observed apparent decreases in n euronal metal ion concentration during ageing or neurodegeneration. This f inding has led our research group to investigate differences in the sensit ivity and specificity of direct elemental mapping techniques compared to h istochemical methods to detect metal ions in brain tissue (e.g.\, Perl’s Fe stain). We have also examined at length\, how multiple aspects of samp le preparation may affect the metal ion concentration\, distribution\, and chemical form in brain tissue.\nOur findings appear to indicate that ther e are unique differences in the handling of metal ions by different brain cells. Specifically\, brain cells of glial lineage (oligodendrocytes\, mac rophages\, astrocytes) appear to be capable of accumulating Fe and Cu meta l ions\, while concomitantly neurons may become metal ion deficient. On th e basis of our results\, we suggest that neuronal metal ion deficiency may occur in the ageing and degenerating brain\, possibly as a result of exce ssive metal ion accumulation in glia. If this is correct\, metal ion defic iency would result in impaired energy metabolism and reduced neurotransmit ter synthesis\, which could be a potent driver of cognitive decline and me mory loss. Our results suggest that future studies are needed to specifica lly investigate the mechanisms through which neuronal metal ion deficiency can occur\, which may identify new opportunities for therapeutic interven tion.\n\nhttps://events01.synchrotron.org.au/event/122/contributions/3929/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3929/ END:VEVENT BEGIN:VEVENT SUMMARY:Towards Personalized Microbeam Radiation Therapy for Brain Cancer Treatment DTSTART;VALUE=DATE-TIME:20201119T002000Z DTEND;VALUE=DATE-TIME:20201119T004000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3928@events01.synchrotron.org.au DESCRIPTION:Speakers: Elette Engels (University of Wollongong)\nBrain canc er is a detrimental disease with poor long term prognosis. The most common type of brain cancer\, glioblastoma\, has an associated 5 year survival o f only 5% in Australia [1]. New treatments are therefore highly sought aft er to overcome the glioblastoma resistance to radiation and chemotherapy. Microbeam Radiation Therapy (MRT) at the Imaging and Medical Beam Line (I MBL) of the Australian Synchrotron implements ultra-fast radiosurgical can cer treatment with 50 µm microbeams spaced 400 µm apart [2]. \nThis stud y reports the brain cancer treatment efficacy of individualized MRT at the IMBL delivered in a single fraction with results from the first long-term MRT pre-clinical trial in Australia. The personalized treatment approach used state of the art dosimetry\, new image alignment systems\, cell studi es and preclinical treatments performed at the IMBL. A 9L gliosarcoma brai n cancer model was investigated in vitro with MRT and synchrotron broad be am to understand the cell response to the ultra-fast X-ray treatment. Foll owing this\, juvenile (8-week old) male Fischer rats were injected with in tracerebral 9L gliosarcoma cells. Twelve days later\, the rats received MR T following individualized image alignment based on individual tumours ima ged on day 11 performed at Monash Biomedical Imaging. Treatment efficacy w as evaluated in terms of in vitro cell survival\, long term preclinical su rvival\, histological brain and tumour morphology\, and a pioneering asses sment of the individual MRT tumour dose-coverage (Figure 1). \nThe results of our study reveal the relationships between the in vitro cell response\ , tumour dose-volume coverage and survival post MRT irradiation of a radio resistant brain cancer in a rodent model. The synchrotron radiation therap y (both MRT and broad beam) showed improvements over the conventional (low dose rate) treatment of 9L cells\, providing evidence for an in vitro dos e rate dependence and FLASH effect. Preclinical studies showed that MRT in creased the mean lifespan of rats by 570% compared to unirradiated control s. Individuals responded to MRT based on their tumour dose coverage with d epth and tumour size (Figure 1). \nThis innovative and interdisciplinary a pproach provides an in-depth understanding of brain cancer treatment using MRT at the Australian Synchrotron. The developments made in this work ar e the first steps towards personalized clinical strategies using MRT. The extension of this work to larger animals is required\, but may ultimately improve the outcome for young patients with brain cancer.\n \n\nWe acknowl edge time and access to the Illawarra Health and Medical Research Institut e (IHMRI)\, Wollongong\, Australia\, the Australian Synchrotron\, and Mona sh Biomedical Imaging\, Melbourne\, Australia\, the Australian Nuclear Sci ence and Technology Organisation (ANSTO)\, and the University of Wollongon g (UOW) Animal House. We are grateful to all assisting personnel including IMBL staff\, Beamline Veterinary Scientist Mitzi Klein\, UOW animal resea rch staff\, and UOW Animal Welfare Officer Dr Sarah Toole. We acknowledge the support of the Monash\, Australian Synchrotron and UOW Animal Ethics C ommittees. We acknowledge the financial support of the Australian Governme nt Research Training Program Scholarship\, and Australian National Health & Medical Research Council (APP1084994 and APP1093256).\n\nReferences\n[1] Australian Institute of Health and Welfare 2017. Brain and other central nervous system cancers. Cat. no. CAN 106. Canberra: AIHW.\n[2] Engels\, E. \, Li\, N.\, Davis\, J. et al. Toward personalized synchrotron microbeam r adiation therapy. Sci Rep 10\, 8833 (2020).\n\nhttps://events01.synchrotro n.org.au/event/122/contributions/3928/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3928/ END:VEVENT BEGIN:VEVENT SUMMARY:Resonant Tender X-ray Diffraction for Disclosing the Molecular Pac king of Paracrystalline Conjugated Polymer Films DTSTART;VALUE=DATE-TIME:20201119T002000Z DTEND;VALUE=DATE-TIME:20201119T004000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3927@events01.synchrotron.org.au DESCRIPTION:Speakers: Chris McNeill (Monash University)\nThe performance o f optoelectronic devices based on conjugated polymers is critically depend ent upon molecular packing\; however the paracrystalline nature of these m aterials limits the amount of information that can be extracted from conve ntional X-ray diffraction. Resonant diffraction (also known as anomalous d iffraction) occurs when the X-ray energy used coincides with an X-ray abso rption edge in one of the constituent elements in the sample. The rapid ch anges in diffraction intensity that occur as the X-ray energy is varied ac ross an absorption edge provide additional information that is lost in a c onventional nonresonant experiment. Taking advantage of the fact that many conjugated polymers contain sulfur as heteroatoms\, this work reveals pro nounced resonant diffraction effects at the sulfur K-edge with a particula r focus on the well-studied electron transporting polymer poly([N\,N′-bi s(2-octyldodecyl)-naphthalene-1\,4\,5\,8-bis(dicarboximide)-2\,6-diyl]-alt -5\,5′-(2\,2′-bithiophene))\, P(NDI2ODT2. The observed behavior is fou nd to be consistent with the theory of resonant diffraction\, and by simul ating the energy-dependent peak intensity based on proposed crystal struct ures for P(NDI2OD-T2) it is shown that resonant diffraction can discrimina te between different crystalline packing structures. The utilization of re sonant diffraction opens up a new way to unlock important microstructural information about conjugated polymers for which only a handful of diffract ion peaks are typically available.\n\nhttps://events01.synchrotron.org.au/ event/122/contributions/3927/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3927/ END:VEVENT BEGIN:VEVENT SUMMARY:Quantification of Material Gradients in Nanocrystals DTSTART;VALUE=DATE-TIME:20201119T000000Z DTEND;VALUE=DATE-TIME:20201119T002000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3926@events01.synchrotron.org.au DESCRIPTION:Speakers: Boldt Klaus (University of Konstanz)\nCore/shell nan ocrystals in which the materials change gradually from core to shell are v ery very promising structures to optimise the opto-electronic properties a nd quantum efficiencies of nanoscale semiconductors. Gradients are able to minimise crystal defects\, lattice mismatch\, and can be used to engineer the envelope wave function of excitons in order to suppress non-radiative Auger processes. However\, due to the small size of the particles\, so fa r no reliable method exists to quantify the extent of such a gradient.\n\n In this work we have measured the material gradient of ZnSe/CdS core/shell nanocrystals\, which were synthesised at elevated temperatures (260 and 2 90 °C)\, which controls the rate of radial ion migration. We used EXAFS s pectroscopy to determine the average coordination of selenium ions\, which were fitted to a continuum model for the radial distribution of cations a nd anions [2].\n\nIt could be shown that for the 260 °C sample the data s hows strong cation migration\, which transports significant amounts (> 50% ) of cadmium into the core\, while the anion gradient is consistent with n egligible ion migration beyond the interfacial monolayer. This is signific ant\, because many shell growth protocols that are assumed to produce shar p interfaces are performed at similar temperatures. At higher temperatures of 290 °C the data deviates strongly from the model\, with effectively l ess cation migration. This is explained by the formation of an ordered Zn0 .5Cd0.5Se superlattice in the core in order to mitigate the lattice mismat ch die to the increasing CdSe content of the core [3]. Raman spectroscopy shows selective resonant enhancement of the core LO phonon overtones\, whi ch indicates that the exciton is primarily localized in the core and at in terfacial traps\, and that the electronic structure flips from a type-II t o a type-I system.\n\nHence\, the combination of X-ray and Raman spectrosc opy is able to identify both the chemical and electronic structure of core /shell particles and produces an accurate gradient model that can be emplo yed in more precise and predictive structural calculations. The high-tempe rature product sheds light on why some highly emissive nanocrystals still blink and struggle to reach unity quantum yield [4].\n\nReferences:\n[1] B oldt\, K.\; Bartlett\, S.\; Kirkwood\, N.\; Johannessen\, B. Quantificatio n of Material Gradients in Core/Shell Nanocrystals Using EXAFS Spectroscop y. Nano Lett. 2020\, 20\, 1009-1017.\n[2] Cragg\, G. E.\; Efros\, A. L. Su ppression of Auger Processes in Confined Structures. Nano Lett. 2010\, 10\ , 313-317.\n[3] Wei\, S. H.\; Ferreira\, L. G.\; Zunger\, A. First-Princip lescalculation of Temperature-Composition Phase of Semiconductor Alloys. P hys. Rev. B 1990\, 41\, 8240-8269.\n[4] Boldt\, K.\; Kirkwood\, N.\; Beane \, G. A.\; Mulvaney\, P. Synthesis of Highly Luminescent and Photo-Stable\ , Graded Shell CdSe/CdxZn1-xS Nanoparticles by In Situ Alloying. Chem. Mat er. 2013\, 25\, 4731-4738.\n\nhttps://events01.synchrotron.org.au/event/12 2/contributions/3926/ LOCATION: URL:https://events01.synchrotron.org.au/event/122/contributions/3926/ END:VEVENT BEGIN:VEVENT SUMMARY:Soft x-ray studies of molecular nanoarchitectures DTSTART;VALUE=DATE-TIME:20201118T233000Z DTEND;VALUE=DATE-TIME:20201119T000000Z DTSTAMP;VALUE=DATE-TIME:20260305T164055Z UID:indico-contribution-122-3925@events01.synchrotron.org.au DESCRIPTION:Speakers: Jennifer MacLeod (QUT)\nOne of the goals of nanoscie nce is achieving precise control over the structure and function of nanosc ale architectures at surfaces. Bottom-up approaches using molecular build ing blocks present a flexible and intuitive approach to this challenge. C ombining the Lego-like modularity of molecules with the epitaxial and reac tive influences of surfaces creates a range of opportunities to build exci ting new nanoarchitectures. \n\nOur recent work has focused on studying t he reactions of halogenated and carboxylated molecules at metal surfaces\, where we investigate their adsorption\, self-assembly\, coupling reaction s and the subsequent formation of oligomeric and polymeric structures. Un derstanding the on-surface behavior of the molecules is possible using a c ombination of scanning tunneling microscopy\, photoelectron spectroscopy a nd near-edge x-ray absorption fine structure. We are particularly interes ted in looking at how the structure of these molecular systems affects the ir electronic properties\, and I will discuss our progress in measuring bo th the filled and unfilled electronic states of these materials.\n\nhttps: //events01.synchrotron.org.au/event/122/contributions/3925/ LOCATION:Zoom Meeting Room URL:https://events01.synchrotron.org.au/event/122/contributions/3925/ END:VEVENT END:VCALENDAR