User Meeting 2016

Australia/Melbourne
National Centre for Synchrotron Science

National Centre for Synchrotron Science

Australian Synchrotron 800 Blackburn Road Clayton VIC 3168
Description

Australian Synchrotron User Meeting 2016

The Australian Synchrotron's annual User Meeting showcases some of the best research and investigations undertaken at the facility, and provides our user community with updates on the latest developments and technical advances in synchrotron science, both at home and at our sister light sources overseas. Organised by the Australian Synchrotron User Advisory Committee, the 2016 meeting will again be held at the award-winning National Centre for Synchrotron Science (NCSS).

Important Dates

 Registrations close Midnight 4 November 2016 (AEST) Poster abstracts close Midnight 4 November 2016 (AEST) Abstract submissions close Midnight 10 October 2016 (AEST) Abstract submissions open 15 September 2016 Registrations open 15 September 2016
Participants
• Alan Riboldi-Tunnicliffe
• Alastair Stacey
• Alistair Evans
• Andrea Gerson
• Andrew Chan
• Andrew Peele
• Andrew Stevenson
• Anita D'Angelo
• Anita Hill
• Anita Pax
• Anthony Chesman
• Anthony Duff
• Anton Maksimenko
• Antony van der Ent
• Anurag Parihar
• Begoña Heras
• Benedicta Arhatari
• Bernt Johannessen
• Bettina Richen
• Blake Mazzitelli
• Bostjan Kobe
• Bridget Ingham
• Bronwyn Fox
• Bruce Cowie
• Catherine Chen
• Cathy Harland
• chao wang
• Charlotte Conn
• Chris Garvey
• Chris Hall
• Chris McNeill
• Colin Jackson
• Courtney Ennis
• Cyril Curtain
• Damien Leong
• Daniel Devaprakash
• Daniel Eriksson
• Daniel Gray
• Daniel Hausermann
• Daniele Pelliccia
• Darren Thompson
• Daryl Howard
• David Aragao
• David Child
• David Jenkins
• David Paterson
• David Turner
• Dilek Yalcin
• Duncan Butler
• Elena Ivanova
• Emily Parker
• Emir Dyli
• Erin McGillick
• Espen Bojesen
• Eva Pereiro
• Francesca Di Lillo
• Frank Gagliardi
• Gary Blundell
• Gary Bryant
• Geoff Waterhouse
• Grant van Riessen
• Greg leblanc
• Hannah King
• Hannah Wells
• Henry Kirkwood
• Ian Gardner
• Jakub Gruszczyk
• James Boland
• Jamie Strachan
• Jason Paxman
• Jason Price
• Jayde Livingstone
• Jeffrey CROSBIE
• Jenine McCutcheon
• Jeremy Wykes
• Jessica Ventura
• Jing Song
• Jitraporn (Pimm) Vongsvivut
• Josie Nunn
• Jun Aishima
• Karagiannis Tom
• Karen Siu
• Katherine Ververis
• Kathryn Hill
• Kedar Deshmukh
• Keith Bambery
• Kelan Chen
• Kevin Jack
• Kira Rundel
• Lars Thomsen
• Lewis Chambers
• Liam Day
• Lloyd Smyth
• Louise Fisher
• Mahdi Disfani
• Mahmut Ruzi
• Malinda Salim
• Marcus Kitchen
• Mark Boland
• Mark John Hackett
• Mark Styles
• Martin de Jonge
• Martina Foglizzo
• Masrur Morshed Nahid
• Matthew Cameron
• Merrick Mahoney
• Micah Barnes
• Michael James
• Michael Kusel
• Michael Lerch
• Miles Apperley
• Ming Xie
• Mitzi Klein
• Nathan Webster
• Nav Dhaliwal
• Neale Heard
• Neha Malik
• Nigel Kirby
• Nurul Filzah Ghazali
• Oliver Heilmann
• Oliver Sterritt
• Owen Beaumont
• Paul Mcintosh
• Peter Berntsen
• Peter Czabotar
• Peter Harty
• Peter Kappen
• Peter Kopittke
• Peter Rogers
• Qinfen Gu
• Rachel Williamson
• Rebecca Auchettl
• REKHA RAJU
• Robert Acres
• Rodney Oldham
• Rohan Dowd
• Rosalie Hocking
• Ruth Plathe
• Santosh Panjikar
• Sarah Harmer
• Sherry Mayo
• Simon Royce
• Sofia Macedo
• Stephanie Boer
• Susan Cumberland
• Susyn Kelly
• Suzanne Neville
• Tamar Greaves
• Tessa Charles
• Tim Ryan
• Vesna Samardzic-Boban
• Vi Khanh Truong
• Vibhuti Chhabra
• Wan-Ting Chen
• Wasinee Phonsri
• Weihua Liu
• Wendy Mason
• Yakov Nesterets
• Yuqi Ren
• Zhaoming Zhang
• ZHIFANG GUO
• Zhonghua Sun
Support
• Thursday, 24 November
• 08:00 08:50
Registration 50m
• 08:50 09:20
Welcome Oliphant Auditorium

Oliphant Auditorium

Conveners: Prof. Andrew Peele (Australian Synchrotron) , Kevin Jack (University of Queensland) , Prof. Michael James (Australian Synchrotron)
• 09:20 10:10
Plenary 1: Cryo Soft X-ray Tomography of Cells, Eva Pereiro Oliphant Auditorium ()

Oliphant Auditorium

Convener: Rosalie Hocking (James Cook University)
• 09:20
Cryo Soft X-ray Tomography of Cells 50m
In Structural Cell Biology detailed structural and functional descriptions of the different cellular components must be correlated with a topological map of these components at the whole cellular level. Cryo soft X-ray nanotomography (cryo-SXT) is a new complementary approach in this field that can provide information at 50 nm (full-pitch) 3D resolution of the organelle organization in whole, unstained, un-sectioned cells [1, 2]. An overview of the technique as well as examples of applications in the field of pathogen-host interaction will be presented [3, 4, 5]. [1] Schneider G et al. Nature Methods 7, 985-987 (2010). [2] Carrascosa JL et al. J. Struct. Biol. 168, 234-239 (2009). [3] Chichón FJ et al. J. Struct. Biol. 177, 202-211 (2012). [4] Kapishnikov S et al. PNAS 109, no.28, 11188-11193 (2012). [5] Pérez-Berná AJ et al. ACS Nano 10, 6597-6611 (2016).
Speaker: Dr. Eva Pereiro (ALBA synchrotron light source)
• 10:10 10:30
Morning Tea 20m
• 10:30 12:30
Concurrent Session 1: Advanced Materials I Oliphant Auditorium

Oliphant Auditorium

Convener: Dr. David Turner (Monash University)
• 10:30
Engineering "Disorder" : From Designing New Catalysts to Reactivity in Natural Systems 30m
One of the greatest challenges of the 21st century will be securing cheap and renewable sources of energy. One of the most promising approaches to this challenge is to design catalysts from earth abundant materials capable of implementing key chemical reactions including the splitting water into hydrogen and oxygen (H2O → H2 + ½O2); the oxidation of hydrogen (H2→ 2H+) and reduction (2H+→ H2) of protons as well as the reduction of molecules like CO2 and N2. Some of the most promising catalyst materials for these reactions are metal oxides and metal sulfides which commonly exist in nature. Despite the ubiquity of these materials their structures and the relationship to reactivity is often poorly understood. This may be because materials that are most reactive are often “disordered” or nano-crystalline. In our work we have been able to engineer series of metal oxides that systematically differ in their degrees of disorder. By careful correlations between XAS, TEM and reactivity we can begin to understand the effects of crystalline “order” on “reactivity”. Our results point to important correlations between “sacrificial” and “catalytic chemistry” that have implications to both catalyst design and clues to a possible role these materials may have played in the evolution of metallo-protein type catalysis.
Speaker: Rosalie Hocking (James Cook University)
• 11:00
Investigation of microstructural variations in cold sprayed titanium after heat treatment 15m
Titanium alloys are widely used in aerospace applications due to their unique superiority of low density and high strength. In order to optimize the performance of Ti alloy, prior knowledge of the microstructure-property relationships and microstructural evolution as a result of processing should be studied. Synchrotron radiation-based X-ray micro-computed tomography (SR µ-CT) has been developed and become a powerful tool for investigating metallic materials, due to its unique capability of non-destructive 3D characterization over various techniques such as optical microscopy, SEM and TEM. However, it is difficult to quantitatively identify compositional distribution in some fine structures that are smaller than the pixel size. In this article, data-constrained modelling (DCM) [1] based on SR has been applied for the purpose of resolving the partial distribution of multiple compositions in single voxel more accurately of a cold sprayed Ti sample before and after heat treatment. SR µ-CT experiments were performed on imaging and medical beamline (IMBL) at Australian Synchrotron (AS). Projections with effective pixel size of 0.65μm were processed by X-Tract [2] for background correction, image normalization, phase retrieval, ring artefact correction and CT reconstruction. A cubic grid of N = 580 × 590 × 150 voxels was imported into DCM software for compositional analysis, cluster computation, quantitative characterization, and 3D visualization [3]. Although the porosity is 5.1% before annealing and 4.5% after annealing, the total number of voids cluster has decreased slightly after annealing compared with that before annealing. Quantitative information such as surface area and volume was obtained according to the cluster analysis. The surface area and the volume both have a trend of reduction, however, with an equivalent variation percentage. As a result, the value of surface area-to-volume ratio of void clusters almost keep as the same level as the environment changed. The results reveal a smaller dimension and similar shape profile of void clusters after heat treatment. References [1].S. Yang, S. Furman, A. Tulloh, Advanced Materials Research 32 (2008) 267-270. [2].T. Gureyev, Y. Nesterets, D. Thompson, et. al, Proceedings of SPIE, 8141 (2011) 81410B. [3].Y. Sam Yang, A. Trinchi, A. Tulloh, et. al, AIP Conference Proceedings, 1696 (2016) 020029.
Speaker: Mr. Yuqi Ren (CSIRO)
• 11:15
Understanding the Formation of Bimetallic Pd-Au Co-catalysts on TiO2 15m
Transition metal modified titania (M/TiO2, M = Pd, Pt or Au) photocatalysts have shown excellent activity for H2 production in alcohol-water mixtures under UV excitation [1, 2]. Recently, we have found that a 0.25 wt.% Pd-0.25 wt.% Au/TiO2 photocatalyst demonstrated a superior H2 production rate of 68 mmol g-1 h-1 compared to monometallic 0.50 wt.% Pd/TiO2 (43.0 mmol g-1 h-1) or 1.00 wt.% Au/TiO2 (34.2 mmol g-1 h-1) photocatalysts evaluated in 80 vol.% ethanol solutions at a UV flux (365 nm, 6.5 mW cm-2) comparable to that present in sunlight at the Earth’s surface. To rationalise the high H2 production activities of the Pd-Au/TiO2 photocatalysts, we characterize the materials using UV-Vis absorbance, TEM, XRD, XRF, N2 physisorption and lab-XPS. Preliminary data strongly suggests the formation of bimetallic Pd-Au nanoparticles on the surface of TiO2 responsible for the increased H2 evolution rates. Using higher resolution instrumentation, such as synchrotron XPS, XAS and HR-STEM, we further probed the question of ‘what is the Pd-Au nanoparticle structure (random, core-shell, ordered binary alloy)?’ Synchrotron Pd 3d and Au 4f XPS data (hν = 1486.7 eV) confirmed the presence of Pd(0)-Au(0), whilst HR-STEM/EDS showed Pd-Au nanoparticles of size 2-5 nm composed of randomly arranged Pd and Au atoms with a near 1:1 atomic ratio. Pd K-edge and Au L3-edge EXAFS analyses found the onset of alloy formation to occur around 160 °C in a 1 vol.% H2 atmosphere and nearest neighbour Pd-Au bond lengths of 2.08-2.35 Å were intermediate to that of Pd and Au metal in good agreement with HR-STEM data (Figure 1). Results here guide the rational design of new and improved M/TiO2 photocatalysts for H2 production. ![][1] Figure 1. A-HRTEM, B-STEM-EDS, C-Pd and D-Au L3 FT-EXAFS. References: [1] Al-Azri, Z.H.N.; Chen, W.T.; Chan, A.; Jovic, V.; Ina, T.; Idriss, H.; Waterhouse, G.I.N. J.Catal. 2015, 329, 355-367. [2] Chen, W.T.; Chan, A; Al-Azri, Z.H.N.; Dosado, A.G.; Nadeem, M.A.; Sun-Waterhouse, D.; Idriss, H.; Waterhouse, G.I.N. J.Catal. 2015, 329, 499-513. [1]: http://noigraphics.heliohost.org/image.png
Speaker: Mr. Andrew Chan (The University of Auckland)
• 11:30
Probing Long- and Short-Range Disorder in Y2Ti2-xHfxO7 by Diffraction and Spectroscopy 15m
We have studied the long-range average and short-range local structures in Y2Ti2-xHfxO7 (x = 0-2.0) using diffraction and spectroscopy techniques respectively. Both neutron and synchrotron X-ray powder diffraction data show a clear phase transition of the average structure from ordered pyrochlore to disordered defect-fluorite at x ~ 1.6; the long-range anion disorder appears to develop gradually throughout the entire pyrochlore region in contrast to the rapid loss of cation ordering from x = 1.4 to 1.6. The commonly observed two-phase region around the pyrochlore / defect-fluorite phase boundary is absent in this system demonstrating high sample quality. X-ray absorption near-edge structure (XANES) results at the Y L2-, Ti K- and L3,2-, Hf L3- and O K-edges indicate a gradual local structural evolution across the whole compositional range; the Y coordination number (CN) decreases and the CN around Ti and Hf increases with increasing Hf content (x). The spectroscopic results suggest that the local disorder occurs long before the pyrochlore to defect-fluorite phase boundary as determined by diffraction, and this disorder evolves continuously from short- to medium- and eventually to long-range detectable by diffraction. This study highlights the complex disordering process in pyrochlore oxides, and the importance of a multi-technique approach to tackle disorder over different length scales and in the anion and cation sublattices respectively. The results are important in the context of potential applications of these oxides such as ionic conductors and radiation-resistant nuclear waste forms.
Speaker: Dr. Zhaoming Zhang (ANSTO)
• 11:45
Exploiting Pressure to Induce “Guest-Blocked” Spin Crossover 15m
Spin Crossover (SCO) is a phenomenon where a 3d4-7 metal ion reversibly switches between two electronic states, namely high spin (HS) and low spin (LS), under an external perturbation, such as temperature, pressure or light irradiation.[1] SCO behaviour is driven by short- and long-range lattice interactions which enables spin state cooperative propagation throughout the material, resulting in hysteretic and multi-step spin transitions.[2] Hofmann-type framework materials, in particular, are of interest as their robust lattice structure allows direct correlation of magnetic and structural effects in terms of both guest steric (i.e., internal pressure) and electronic effects.[3] This study focuses on a 2D Hofmann-type framework incorporating a 1,2,4-triazole functionalised ligand where the application of hydrostatic pressure uncovers “hidden” SCO properties as well as the range of host–host and host–guest interactions associated with these features.[4] References [1] P. Gütlich, A. B. Gaspar, Y. Garcia, Beilstein J. Org. Chem. 2013, 9, 342-391. [2] M. A. Halcrow, Chem. Soc. Rev. 2011, 40, 4119-4142. [3] P. D. Southon, L. Liu, E. A. Fellows, D. J. Price, G. J. Halder, K. W. Chapman, B. Moubaraki, K. S. Murray, J. F. Létard, C. J. Kepert, J. Am. Chem. Soc. 2009, 131, 10998-11009. [4] N. F. Sciortino, F. Ragon, K. A. Zenere, P. D. Southon, G. J. Halder, K. W. Chapman, L. Piñeiro-López, J. A. Real, C. J. Kepert, S. M. Neville, Inorg. Chem. 2016, accpeted.
Speaker: Dr. Suzanne Neville (The University of Sydney)
• 12:00
Simultaneous orientation and strain determination in polycrystals using the Maia detector 15m
X-ray micro-beam Laue diffraction is a powerful tool for mapping the orientation and elastic strain within polycrystalline materials. Interactions between neighbouring grains influence the macroscale characteristics of a material, particularly its deformation behaviour, damage initiation and propagation mechanisms. Here we report on recent experiments using energy scanning diffraction of a polycrystalline nickel foil at the XFM beamline using the Maia energy dispersive area detector. Using the elastic back scatter measured by the pixelated Maia detector we are able to determine local crystallographic orientation within the polycrystalline foil. Knowledge of the photon energy of specific Bragg peaks also makes it possible to determine the strain state within the sample. Here the elastic strain was mapped across the sample and the full elastic strain tensor determined. These results thus demonstrate the first steps towards simultaneous elemental, crystallographic orientation and strain imaging at the microscale.
Speaker: Mr. Henry Kirkwood (La Trobe University)
• 12:15
Development of Efficient Semiconductor Photocatalysts for Solar Energy Capture 15m
Global energy concerns motivate the development of new and improved technologies for solar energy capture, with semiconductor photocatalysis expected to make an important contribution towards satisfying the energy needs of future societies. This talk will overview some of our recent research aimed at photocatalyst development for H2 production in alcohol-water mixtures, focussing primarily on transition metal oxide (TiO2), oxynitride (LaTiO2N, TaON) and nitride (Ta3N5) systems. The potential of 2D nanosheet photocatalysts made from earth-abundant elements, especially layered double hydroxides (M2+M3+-LDH, where M2+ = Ca2+, Mg2+, Mn2+, Fe2+, Co2+, Ni2+ or Zn2+ and M3+ = Al3+, Ga3+ or Fe3+) and graphitic carbon nitride (g-C3N4), for future solar energy harvesting and fuel production will also be explored. Strong emphasis here will be placed on the importance high resolution transmission electron microscopy (HRTEM), synchrotron-based X-ray spectroscopies (XPS, NEXAFS, EXAFS) and supporting DFT calculations to the understanding of photocatalyst function and ultimately performance optimization via exploitation of structure-activity relationships.
Speaker: Dr. Geoff Waterhouse (The University of Auckland)
• 10:30 12:30
Concurrent Session 1: Earth & Environment Conference Rooms

Conference Rooms

Australian Synchrotron 800 Blackburn Road Clayton VIC 3168
Convener: Dr. Louise Fisher (CSIRO)
• 10:30
Uranium (VI) absorption by tree bark in a column leaching experiment 30m
The relationship between uranium (U) and organic matter (OM) has received increasing attention in the fields of mining and remediation. Sediments and wetlands with high (%) OM content can accumulate U from groundwater, and over geological timescales lead to ore formations. The Mulga Rock deposit (13K tonnes of U) near Kalgoorlie, WA is one example in Australia, with many other examples found globally. Despite many occurrences of U-OM deposits, U accumulation within the OM is not yet fully understood. Initial mechanisms may include; U sorption, cation exchange and bonding to carboxyl, phenolic or hydroxyl functional groups. Sorption may later be followed by reduction of the U(VI) to more insoluble U(IV) for more permanent U fixation. The aim of this work was to test the sorption efficiency of U onto solid OM and examine the material for change in U speciation and reduction of the uranyl ion by means of a column experiment. Ground up tree bark (TB) from *Eucalyptus Globulus* was selected for the solid OM fraction due to its well characterized phenolic and carboxylic groups for binding to uranyl-type compounds. A comparison control was comprised of quartz-sand only. For the experiment 80 mg/L U(VI) uranyl nitrate was passed through columns containing either sand, or sand with 20% TB (S-TB) at a rate of 1.25 mL/min. Outflow was monitored using in-situ probes (EC, pH, ORP) to obtain breakthrough curves and fractions collected every 6 minutes for U concentration. Breakthrough curves were more retarded in S-TB columns compared to sand only. U concentration of collected liquid fractions was ~ppb or not detected, implying high U retention by the S-TB. Furthermore, XFM images and XRF analysis revealed that U sorption occurred within the first third of the column. XFM also revealed that sorption occurred to OM in preference to quartz-sand. XAS-XANES analysis (U L3 edge) determined no change in U oxidation state on subsamples for either sand or S-TB. The U:Ca relationship, obtained from XRF on S-TB subsamples, was negative where U had absorbed within the column, and could be suggestive of ion-exchange. These results show that eucalyptus tree bark is a powerful absorbent for soluble uranium nitrate and provides a suitable solid organic material for use in U deposit formation and remediation studies.
Speaker: Susan Cumberland (Australian Synchrotron)
• 11:00
XAS and XFM investigations of arsenic uptake in hydrothermal apatite 15m
Element substitution that occurs during fluid-rock interaction permits assessment of fluid composition and interaction conditions in ancient geological systems, and provides a way to fix contaminants from aqueous solutions. We conducted a series of hydrothermal mineral replacement experiments to determine whether a relationship can be established between arsenic (As) distribution in apatite and fluid chemistry. Calcite crystals were reacted with phosphate solutions spiked with As(V), As(III), and mixed As(III)/As(V) species at 250 ˚C and water-saturated pressure. Arsenic-bearing apatite rims formed in several hours, and within 48 hours the calcite grains were fully replaced. X-ray Absorption Near-edge Spectroscopy (XANES) data show that As retained the trivalent oxidation state in the fully-reacted apatite grown from solutions containing only As(III). Extended X-ray Fine Spectroscopy (EXAFS) data reveal that these As(III) ions are surrounded by about three oxygen atoms at an As-O bond length close to that of an arsenate group (AsO43-), indicating that they occupy tetrahedral phosphate sites. The three-coordinated As(III)-O3 structure, with three oxygen atoms and one lone electron pair around As(III), was confirmed by geometry optimization using ab initio molecular simulations. The micro-XANES imaging data show that apatite formed from solutions spiked with mixed As(III) and As(V) retained only As(V) after completion of the replacement reaction; in contrast, partially reacted samples revealed a complex distribution of As(V)/As(III) ratios, with As(V) concentrated in the center of the grain and As(III) towards the rim. Most natural apatites from the Ernest Henry Iron Oxide Copper Gold deposit, Australia, show predominantly As(V), but two grains retained some As(III) in their core. The As-anomalous amphibolite-facies gneiss from Binntal, Switzerland, only revealed As(V), despite the fact that these apatites in both cases formed under conditions where As(III) is expected to be the dominant As form in hydrothermal fluids. Our study shows for the first time that As(III) can be incorporated into the apatite structure, although not as efficiently as As(V). Uptake of As(III) is probably highly dependent on the reaction mechanism. These results show that incorporation of As in apatite is a complicated process, and sensitive to the local fluid composition and kinetic effects during crystallization.
Speaker: Dr. Weihua Liu (CSIRO)
• 11:15
RADIOACTIVE PARTICLES AS CONCENTRATED SOURCES RELATED TO UPTAKE AND DOSE IN MAMMALS 15m
The radiological residues at the former weapons testing sites in Australia, at Maralinga, Emu and the Monte Bello Islands, often occur in particulate form (“hot particles”). Large numbers of these particles were emitted from nuclear test detonations and non-nuclear tests. For example, more than 3000 readily identifiable particles can occur in the soil of a single square meter, in a plume that extends for tens of kilometres at the Taranaki site (Maralinga). The physical and chemical characteristics of these particles affect their mobility and availability for uptake into living organisms. These particles, which are weathering slowly, may contain long-lived radionuclides (e.g. 239Pu) and thus will provide persistent sources of smaller, more readily respirable hot-particles, as well as ionic forms of radionuclides, for many thousands of years. From these Australian sites, we have gathered a series of particles that have weathered and interacted with the environment for 50+ years since their initial formation and release events. The particles are being evaluated using a range of methods including gamma spectrometry, PSL autoradiography, Accelerator Mass Spectrometry analysis (AMS), leaching studies, and X-ray fluorescence microscopy (XFM) at the Australian Synchrotron. Significant findings include the clustering of 137Cs on the exterior of a glassy fission fragment, with 90Sr occurring in the nearby interior, suggesting the 137Cs may be more available for weathering processes, and the beta emissions from the 90Sr may be largely self-shielded within the particle. In contrast, a different particle from a nearby site lacked any fission products, but contained Pu(IV) oxyhydroxides, consistent with weathering in a semi-arid environment. The 239Pu would impart significant dose to nearby tissue. However, XFM data, including X-ray absorption near edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) indicate particles with a “core-shell” structure, with most Pu(IV) oxyhydroxide clustered in the core surrounded by an external layer containing Ca, Fe, and U. Detailed dose modelling suggests most of the alpha emissions from particles > 5µm are self-shielded within the particles themselves, and therefore impart lower dose than the equivalent dissolved Pu. However, when Pu exists on exterior surfaces, a hot particle that has been internalised (e.g. lodged in a mammalian lung) may produce relatively intense dose rates to adjacent tissues.
Speaker: Mr. David Child (ANSTO)
• 11:30
Far-Infrared Synchrotron spectra of Titan’s cyanide haze 15m
Titan is Saturn’s largest moon and is the only planetary body in our solar system with a dense atmosphere that is comparable to Earth. Photochemical processing of the two major atmospheric components (N2 and CH4) produce a suite of hydrocarbon and nitrile species, from small hydrocarbons to large complex organic molecules (COMs) and polymeric nitriles (tholins). Tholins aggregate and coagulate to form suspended aerosols that descend in altitude from the stratosphere and settle on the surface of Titan. These complex molecular systems are responsible for the seasonal far-infrared absorption feature at 220 cm-1 that remains unassigned. Despite the abundance of observational data from the recent Cassini-Huygens space probe to the Saturnian system, there are few experimental infrared analyses on nitrile aerosols under temperatures and pressures simulating Titan’s atmosphere. Laboratory far-infrared studies can elucidate the temperature, pressure and particle size dependence on infrared signatures of pure and mixed aerosols. Without such experiments, the fundamental morphology and identification of the unassigned far-infrared band feature of these nitrile aerosols remain unresolved. In this talk, we present the first infrared studies of nitrile-hydrocarbon and nitrile-water binary aerosols under conditions replicating the Titan atmosphere. We utilize the specialized enclosive-flow-cooling-cell (EFC cell) that is coupled to the THz/Far-IR beamline at the Australian Synchrotron. This is the only setup in the world that has the capabilities to study the far-infrared of aerosols like those detected on Titan. Here, our laboratory data will be compared and validated against Cassini mission data.
Speaker: Ms. Rebecca Auchettl (La Trobe University)
• 11:45
Microstructure Evolution of Saturated Fine-Grained Soil Consolidation Based on Data-Constrained Modelling 15m
The Saturated Fine-Grained (SFG) soil, as one type of important materials of dredger mud, is related closely to bearing capacity of foundation in consolidation progress of reclamation engineering. It is necessary to research the quantitative mechanism between micro and macro mechanics by microstructure evolution of SFG soil consolidation. However, it is difficult to obtain the 3D microstructure characterisation in Micro-Nano scales by image segmentation approach. The Data-Constrained Modelling (DCM) method incorporates Multispectral Energy in Synchrotron Radiation of X-ray micro-Computed Tomography (ME-SR-μCT) was applied to the 3D distribution of SFG soil in Micro-Nano scales. Based on DCM technology, quantitative parameters were obtained. With the increasing of loading pressures, 3D data was shown as follows. The correlation indexes between 3 groups changed. Especially the pores which were saturated with water migrated with organics significantly. The quantity and volume percentage of clusters of pores and minerals were varied with mechanics in 3 phases including obvious consolidation, aggregation yield consolidation and particle yield consolidation. Combined with e-p curves of macroscopic mechanical characteristics, it was found that particle yield as 400 kPa of SFG soil was smaller than conventional particle yield 800kPa in soft soil. It consolidated the importance of creep mechanics in the process of bearing capacity increasing. And an effective 3D structures characteristics method was illustrated, which included 3 groups of SFG. It revealed that the distributions and evolutions of porosity and the minerals were in different consolidation phases which combined with micro and macro mechanical properties. Furthermore, loading velocity could be controlled by the mechanics result combined with engineering theory and engineering significance.
Speakers: Ms. Jing Song (Sun Yat-sen University; CSIRO Manufacture) , Mr. Yuqi Ren (CSIRO)
• 12:00
Temperature Dependent Refractive Indices of Formic Acid Aerosols 15m
Formic acid (HCOOH) is the most abundant trace gas organic acid in the atmosphere, resulting from oxidation or photochemical processing of alkanes from biogenic and anthropogenic sources.[1] Formic acid dissolves well in water and thus contributes significantly to rain acidity in remote regions. Due to its good solubility it is believed that formic acid contributes to cloud condensation.[2] It is also considered to be a source of OH radical which is one of the most active oxidising agent in the atmosphere. Temperature dependent refractive indices of formic acid are needed for composition analysis of aerosols and interstellar ices.[3] In this work, we present mid-infrared (IR) spectra of formic acid aerosols recorded at atmospherically relevant temperatures of 80 – 210 K, and demonstrate an efficient method to extract refractive indices from measured spectra. The spectra indicate that the spectral bands below 1800 cm-1, especially around the C=O stretch region, show strong temperature dependence. The C=O stretch band profile show interesting temperature and particle size dependence. Initial analysis indicate that the band profile may be used to characterise the phase (crystalline vs amorphous) and particle size. We will discuss possible mechanisms that produce the C=O stretch band profile. We also present the refractive indices retrieved from IR spectra using classical damped harmonic oscillator (CDHO) model. In this model, we input the CDHO band and particle size distribution parameters to simulate the Mie scattering spectra of spherical particles, and optimise the parameters to minimise the difference between the simulated and measured spectra. We evaluate the accuracy of the method with respect to particle size and CDHO band parameters, and the errors associated with assuming the spherical shape of the formic acid aerosol particles. At the end, we compare the IR spectra of formic acid thin films to our aerosol spectra and demonstrate the advantages of using aerosols to extract refractive indices from IR spectra. References: [1]. Khare, P.; Kumar, N.; Kumari, K. M.; Srivastava, S. S. Atmospheric formic and acetic acids: An overview, Rev. Geophys. 1999, 37, 227-248 [2]. Yu, S. C. Role of organic acids (formic, acetic, pyruvic and oxalic) in the formation of cloud condensation nuclei (CCN): a review, Atmos. Res. 2000, 53, 185-217. [3]. Takahama, S.; Johnson, A.; Russell, L. M. Quantification of Carboxylic and Carbonyl Functional Groups in Organic Aerosol Infrared Absorbance Spectra, Aerosol Sci. Tech. 2013, 47, 310-325.
Speaker: Mr. Mahmut Ruzi (Latrobe University)
• 12:15
Synchrotron Tomography in Geotechnical Engineering Applications 15m
Synchrotron Radiation-based X-ray Micro-Computed Tomography (SR-µCT) is a leading edge technology allowing unprecedented grain-scale observations helping with a better understanding of geomaterial behavior. The higher energy level used in this technique allows rapid scanning of geomaterials under high stress levels to study the progress of crushing and crack propagation. This paper demonstrates and discusses application of synchrotron tomography of geomaterial in two different applications in field of energy geotechnics. A new loading apparatus was developed to conduct compression tests of up to 61 MPa on geomaterials including assemblies of different particles. The equipment allows for studying particle breakage in granular assemblies under different loading sequences to be monitored and analyzed. Experiment results completed at Imaging and Medical BeamLine (IMBL) suggest particle shape as a noteworthy factor controlling degree of crushing in a granular assembly. Test results also indicate the changes in particle-scale characteristics such as morphology evolution of sand specimens due to breakage. The apparatus was later equipped with a contact thermal conductivity sensor enabling measuring thermal conductivity properties of a range of geomaterials under different states of stress and crushing. Heat conduction is of critical importance in geotechnical engineering applications such as geothermal systems. Though largely overlooked, microstructural properties govern heat flow in geomaterials. A numerical heat flow simulation is highly desirable because it reveals the intimate relation between microstructure and the bulk macro-scale thermal (conductivity) properties used in engineering design applications. Development of such a model, however, has historically been hampered by lack of access to image data of real geomaterials and the effect of imperfect real grain contacts. The equipment developed and test results conducted at IMBL in the Australian Synchrotron addresses these shortcomings through the use of high-resolution 4D imaging and a new grain contact correction factor. Test results suggests how synchrotron tomography can be used to study the change in micro structure of soils and aggregates and how it can help in bridging the knowledge gap between micro and macro behavior of geomaterials.
Speakers: Dr. Guillermo Narsilio (Australian Research Conuncil Future Fellow, The University of Melbourne) , Dr. Mahdi Disfani (Senior Lecturer in Geotechnical Engineering)
• 10:30 12:30
Concurrent Sessions 1: Biological Systems NCSS Seminar Room

NCSS Seminar Room

Australian Synchrotron 800 Blackburn Road Clayton VIC 3168
Convener: Dr. Eva Pereiro (ALBA synchrotron light source)
• 10:30
The shape of things to come: Resolving biological and palaeontological mysteries using microCT imaging 30m
The shape and structure of animals is fundamental to their survival, including how they move and feed: bone shape determines how forces are transmitted from muscles during running and flying, and the microstructure of a tooth dictates whether it will break when crushing food. Our ability to adequately capture the fine-scale 3D structure of biological materials has until recently been very limited, severely restricting the questions we could ask about modern and fossil animals. With the extensive availability of synchrotron and laboratory X-ray microcomputed tomography (microCT), we can now peer inside structures with astounding fidelity, revealing not only what is inside but also how many of these components work. MicroCT has the great advantage of allowing internal imaging of unique and irreplaceable fossil specimens that would otherwise need to be examined using destructive techniques. In this talk I will give examples illustrating the importance of microCT imaging to a range of biological and palaeontological questions. As X-ray imaging relies on differences in electron density among materials, it is most effective for imaging mineralised structures, including bone and teeth, as well as fossils. MicroCT has been used to reconstruct the anatomy of Australian fossil dinosaurs, mammals and reptiles, including the Victorian fossils of the ornithopod dinosaur *Leaellynasaura* and the Cretaceous mammal *Ausktribosphenos*. We have also learned a great deal about some of the earliest multicellular life and the earliest vertebrates (conodonts) from microCT imaging. Demonstration and exhibition of the tiniest fossils is now immensely easier with high-resolution 3D printing based on the microCT data. New advances in microCT allow high-resolution imaging of soft tissues using contrast agents that differentiate tissues, and we can use this to investigate development and evolution in embryos and juvenile animals. The data from quantitative 3D imaging can be the basis of new shape analyses, including the evolution of complexity in animals and predicting the shape of undiscovered fossils.
Speaker: Dr. Alistair Evans (Monash University)
• 11:00
Multi-technique investigations of nickel hyperaccumulator plant ecophysiology 15m
Our team, together with international collaborators, has been studying plants that hyperaccumulator trace elements, especially nickel, from various ecosystems around the world. The aim of these investigations has been to advance our understanding of the ecophysiology of these unusual plants. We have employed a range of micro-analytical methods to reveal the in situ distribution, biogeochemical pathways and chemical speciation of nickel and other elements. Elucidating the cellular and tissue-level distribution of trace element ions is inherently challenging due to the limitations of all analytical techniques. Therefore, we have combined the strengths of different techniques to interpret physiological processes in hyperaccumulator plants. Synchrotron X-ray Fluorescence Microscopy (XFM), micro Proton-Induced X-ray Emission (PIXE) and Scanning Electron Microscopy- Energy Dispersive X-ray Spectroscopy (SEM-EDS) have been used to map elemental distribution at the tissue-level and also at the sub-cellular level. X-ray Absorption Spectroscopy (XAS) has been used to reveal the chemical speciation of nickel and cobalt in intact plant tissues. The use of bright-field microscopy as well as SEM is essential for visualizing underlying anatomical features of the plant material being studied. Optionally, laser confocal microscopy in combination with selective fluorescent probes can assist to map trace element ions. Critical to the use of all aforementioned methods is appropriate sample preparation. The use of samples in frozen-hydrated state is preferred to minimize the effects of radiation-damage and movement of the sample during measurement. Therefore samples for XFM, PIXE and cryoSEM are rapidly frozen either using liquid propane or a metal mirror technique to affect water in vitreous state (direct freezing in LN2 is not suitable due to the Leidenfrost Effect). The use of a small LN2 cryoshipper enables collection of samples directly in the native habitat in the field. If not measured in frozen-hydrated state, then freeze- drying is suitable for measuring/mapping elemental concentrations providing the freeze-drying protocol is undertaken at a low temperature (starting <100°C) and with a long duration to limit sample shrinkage and morphological variations. This presentation will demonstrate how combining multiple analytical techniques has shed light on the ecophysiology of nickel hyperaccumulator plans.
Speaker: Dr. Antony van der Ent (The University of Queensland, Australia)
• 11:15
Role of the solvophobic effect in protein-ionic liquid interactions 15m
Biological applications which utilise enzymes, or other proteins, require the tertiary structure of the protein to be retained. However, many proteins readily undergo aggregation or denaturation when outside their native environment, and/or over longer timescales. The stability of proteins in solvents other than water is usually considered unappealing due to an assumption that the protein will be insoluble or denatured. However, a few solvents, such as glycerol and dilute alcohols have been shown to have protein stabilising properties, such as in cryopreservation. Previously we have developed extensive structure-property relationships between the chemical structures and mesostructures of non-aqueous solvents and the solvophobic effect experienced by amphiphiles for molecular solvents [1] and protic ionic liquids [2]. Here we have extended this to develop a greater understanding of what solvent features are important for protein stability. We have utilised a series of small polar non-aqueous molecular solvents and protic ionic liquids consisting of the four acid-base combinations of ethyl- and ethanolammonium cations paired with formate or nitrate. Solutions were prepared of these solvents combined with water, and with added formate or nitrate for the ionic liquids to explore a broad range of pH effects. For this initial work egg white lysozyme (HEWL) was used. These solvent systems enabled us to explore the effect of pH, solvent concentration, solvent cohesive energy density and polarity towards protein stability [3]. The activity of the lysozyme was assessed based on its lytic activity towards Micrococcus lysodiekticusce using UV-Vis spectroscopy. The secondary and tertiary structures of the lysozyme were determined using Small angle X-Ray scattering (SAXS) and IR spectroscopy. Protein crystallisation studies have been successfully conducted for many of these protic ionic liquid solvent systems, with significant differences in the crystal structures formed. This work extends our understanding of protein stability in a wide variety of solvent environments, and has enabled structure-property relationships to be developed for a protein in concentrated molecular solvent and protic ionic liquid solvent systems. This work has the potential to lead to the development of tailored solvent systems to optimise protein stability. [1] E. C. Wijaya, T. L. Greaves and C. J. Drummond, Faraday Discuss., 2013, 167, 191-215. [2] T. L. Greaves, C. J. Drummond, Chem. Soc. Rev., 2013, 42, 1096-1120 [3] Emmy C. Wijaya, Frances Separovic, Calum J. Drummond, Tamar L. Greaves, Phys. Chem. Chem., Phys. 2016, DOI: 10.1039/c6cp03334b.
Speaker: Dr. Tamar Greaves (RMIT University)
• 11:30
Structural changes in an elastin hydrogel during extension and drying by small angle neutron and x-ray scattering 15m
Èlastin is a highly elastic protein found in connective tissue of vertebrates. It has an important mechanical physiological function by virtue of its highly elastic nature, namely to provide recoil in tissue such as skin and vasculature. The structure is extremely stable being produced mainly early in life where it persists and is not replaced during a lifetime. The structure and mechanical properties of elastin is important in many pathologies. In this study we examine the structural changes in a cross-lined elastin hydrogel during stretching and drying with small angle x-ray scattering (SAXS), and with uniaxial deformation by compression in a specially designed cell, by small angle neutron scattering (SANS). SAXS measurements from the hydrogel at rest consisted of a broad isotropic correlation peak superimposed upon an isotropic decay in intensity. We attribute the correlation peak to the interaction between monomers and the decay in intensity to the fibres formed by linking of monomers. As the free standing film is stretched the scattering pattern becomes increasingly anisotropic. For subsequent stretches the induced anisotropy becomes increasingly irreversible as the sample dries out. The position of the correlation peak moves to higher q and the different anisotropies exhibit varying degrees of reversibility during the extensional cycles. We attribute this loss of reversibility to the drying of the sample with water acting as a plasticiser. To decouple the effects of drying from extension we have measured the SANS pattern for the elastin hydrogel during many cycles. Again the isotropic scattering pattern consisting of a correlation peaks superimposed on decay. In this case, while the anisotropic scattering pattern is entirely reversible, with a small anisotropic shift in the position of the correlation peak. The role of water in the plasticisation of tropoelastin is discussed.
Speaker: Dr. Christopher Garvey (ANSTO)
• 11:45
New Secrets Unveiled from the ‘Rosetta Stone’ of Neuroscience: Using Synchrotron Light to Study Fundamental Neurochemistry within the Hippocampus during Health and Disease 15m
The hippocampus is a key anatomical brain structure required for spatial learning and memory in all mammals. The structure of the hippocampus is highly conserved between mammalian species, which highlights a fundamental importance to higher order brain function. As such, the hippocampus is one of the most studied anatomical structures in the field of neuroscience. However, much remains unknown about the underlying neurochemistry driving hippocampal function, and many refer to this brain structure as the ‘Rosetta Stone’ of neuroscience. Unfortunately, the hippocampus is vulnerable to neurodegenerative conditions and disorders, with selective neuron damage occurring during Alzheimer’s disease, and after epileptic seizures, traumatic brain injury and stroke. Techniques available at synchrotron light sources offer the ability to study at cellular and sub-cellular resolution the distribution of important biochemical and elemental markers of normal and abnormal brain function. Specifically, Fourier transform infrared (FTIR) spectroscopy can be used to study markers of oxidative stress, such as aggregated proteins and oxidised lipids, within individual neurons of the hippocampus. Complementary elemental information is provided by X-ray fluorescence microscopy, which is invaluable for providing a wealth of information at the cellular level on ion homeostasis (Cl-, K+, Ca2+) and metal homeostasis (Fe, Mn, Cu, Zn). A multi-modal approach incorporating FTIR and XFM, in combination with histology and light microscopy enables investigation of the mechanistic pathways through which excitotoxicty and disturbed brain metal homeostasis contribute to oxidative stress and neuronal injury during disease. Specifically, this presentation will discuss recent findings regarding the underlying neurochemistry of the hippocampus during health and disease in rodent models of Alzheimer’s disease, stroke, and schizophrenia.
Speaker: Dr. Mark John Hackett (Curtin Univeristy)
• 12:00
Element-specific small-angle X-ray scattering studies of mineral nanoparticles in iron-fortified milk 15m
Most of the dietary calcium in milk is contained within casein micelles as so-called ‘colloidal calcium phosphate’ (CCP) nanoclusters around 2-3 nm in size. Small-angle X-ray and neutron scattering (SAXS and SANS) have been used for several decades to study the internal structure of bovine casein micelles, but there is lingering controversy over the interpretation of the scattering data [1]. Recent synchrotron scattering experiments have shed new light on this long-standing problem. Resonant soft X-ray scattering (RSoXS) of bovine milk at the Ca L2,3-edges using beamline 11.0.1.2 at the Advanced Light Source, Lawrence Berkeley National Laboratory conclusively identified features arising from the CCP particles [2]. These measurements were supported by experiments conducted using the SAXS beamline at the Australian Synchrotron where the milk chemistry was modified [3]. We have extended these techniques to investigate the mineral structures in iron-fortified milk, using SAXS, RSoXS (at both the Ca and Fe L2,3 edges) and anomalous SAXS (at the Fe K-edge). The results will be presented and the implications discussed in terms of developing new food ingredients; the benefits and challenges of the RSoXS and anomalous SAXS techniques will also be discussed. [1] D. G. Dalgleish, Soft Matter 7 (2011) 2265. [2] B. Ingham et al., Soft Matter 11 (2015) 2723-2725. [3] B. Ingham et al., Soft Matter 12 (2016) 6937-6953.
Speaker: Dr. Bridget Ingham (Callaghan Innovation)
• 12:15
Liquid crystal self-assembly during in vitro lipolysis of milk and infant formula 15m
Milk provides an important source of energy for children, and is one of the staple foods for adults with Western diet. The World Health Organization and the Australian government have recommended exclusive human milk feeding for infants below 6 months, although commercial infant formulas (IF) can be used as human milk substitute in circumstances where human milk is not adequate.[1,2] IF is generally manufactured from blends of vegetable oils (such as coconut, palm, palm kernel, safflower, soybean, sunflower, and recently FDA-approved canola) and/or bovine milk fat to match the required fatty acid compositions.[3] As such, there exists variation in the composition of triglycerides between IF and bovine milk, in addition to the different brands of IF. Our group has recently demonstrated, using the Australian Synchrotron time-resolved small angle X-ray scattering (SAXS), formation of different lipid nanostructures during lipase-catalysed milk digestion where transition from lipid emulsion to L2, *Fd*3*m*, H2, Q2, and lamellar vesicles occurred.[4,5] In this study, changes in the lipid self-assembly during the intestinal digestion process of various infant formulas were investigated. The effects of milk fat globule (MFG) sizes on the extent of digestion, and the particle size distribution of the MFG in both milk and IF were analysed. We also characterised the partitioning of the liquid crystalline structures in the milk lipolytic products using SAXS and cryo-TEM.
Speaker: Dr. Malinda Salim (Monash University)
• 12:30 13:30
Lunch 1h NCSS Exhibition Space ()

NCSS Exhibition Space

• 13:30 15:15
Concurrent Session 2: Advanced Materials II Oliphant Auditorium

Oliphant Auditorium

Convener: Dr. Zhaoming Zhang (ANSTO)
• 13:30
Biomimetic nanostructured lipidic materials for encapsulation of therapeutic proteins 30m
Proteins and peptides represent the fastest growing class of pharmaceuticals with application as drugs, vaccines and diagnostics. However, they present significant challenges for drug delivery due to their complexity and fragile nature. Hybrid protein-lipid materials are highly prospective bionanomaterials for the long-term storage and controlled release of therapeutic proteins and peptides. The lipid nanostructure offers the potential for targeted and controlled release of the bioactive molecule, while retaining the protein in a functionally active form. In order to advance the use of such materials we must understand the relationship between the nanostructure of the lipidic material, the encapsulated protein and their end use in drug delivery. The research presented aims to elucidate the fundamental physicochemical interactions between encapsulated proteins and peptides and lipidic materials suitable for drug delivery. In order to screen the large compositional space associated with the design of such materials, the project makes use of high-throughput methodologies, and employs large national and international facilities such as the Australian Synchrotron, the Bragg Institute and ASTRID 2 synchrotron, Denmark. The impact of encapsulated protein on the lipid nanostructure has been determined for a wide range of proteins and peptides. In addition the effect of the lipid nanostructure on the conformation and activity of the proteins has been determined directly within the lipidic material. Small-angle neutron scattering data on contrast matched lipidic materials has allowed the determination of protein location within the material for the first time. Results presented will guide the development of novel lipidic materials for the encapsulation and controlled release of protein and peptide based therapeutics.
Speaker: Dr. Charlotte Conn (RMIT)
• 14:00
Chiral Coordination Polymers and Cages 15m
Chiral metal-organic materials, either infinite coordination polymers or discrete cages/capsules, are areas of considerable research interest due to their potential to act as catalysts for enantioselective reactions or agents to separate and purify racemic mixtures. Towards these ends, we have recently been investigating a series of enantiopure dicarboxylate ligands, built using diimide scaffolds, their inclusion into both infinite and discrete complexes and the properties of these compounds towards a variety of guest species. Naphthalenediimides have been investigated for their ability to give rise to interpenetrated networks some of which have shown activity in the resolution of racemates by liquid chromatographic methods. Coordination cages have been prepared in which the coordination of four amino acids around a copper paddlewheel induces helicity into the resulting M4L4 species. The direction of the helicity is a direct consequence of the handedness of the ligand that is used.
Speaker: Dr. David Turner (Monash University)
• 14:15
Behaviour and Strength of Collagen Materials 15m
Collagen is the main structural component of many natural materials including leather and surgical scaffold materials derived from skin, and heart valve leaflets derived from pericardium. Strength is one of the key characteristics required for the application of these materials however the basis for strength in these materials is not fully understood. We have used small angle X-ray scattering in combination with electron microscopy and atomic force microscopy to study the collagen structure in materials and better understand the behaviour of collagen fibrils during stress. Leather, pericardium and surgical scaffold materials were investigated, and a relationship was uncovered between material strength and collagen fibril orientation, fibril diameter and d-spacing. While there is still many unanswered questions, we are making progress on understanding the relationship between collagen structure and material strength in collagen based materials. This information could be used to optimize these natural materials for application and assist in the development of synthetic analogues of these natural tissues.
Speaker: Ms. Hannah Wells (Massey University)
• 14:30
Investigation of electronic and morphological changes from thionation of naphthalene diimide (NDI) 15m
Organic semiconductors (OSCs) possess many inherent advantages that allow them to be used effectively as organic field effect transistors (OFETs). Solution processablility allows rapid, large area fabrication on low cost flexible substrate that make them ideal for specialized applications such as flexible displays and radio frequency identification (RFID). Small molecule OSCs provide chemical specificity that allows changes to be mapped and examined more effectively than polymer based OSCs. Naphthalene diimide (NDI) provides a versatile framework with which to build upon and explore the effects of chemical functionalization. Recent work [1] on a small molecule framework from the same chemical family has shown that substitution of oxygen for sulphur, known as thionation, leads to an increase in crystallinity and an electron mobility. A thionated series of NDI OSCs has been synthesized to examine the effects of increased degrees of thionation on optical, electronic and morphological properties. Investigation via the complimentary synchrotron based techniques of near edge x-ray absorption fine structure (NEXAFS) spectroscopy and grazing incidence wide angle xray scattering (GIWAXS) combine with atomic force microscopy (AFM) and top gate bottom contact (TGBC) transistors to help illuminate the resulting changes of the top interface with increasing degrees of thionation. [1] Tilley, A. J., Guo, C., Miltenburg, M. B., Schon, T. B., Yan, H., Li, Y. and Seferos, D. S. (2015), Thionation Enhances the Electron Mobility of Perylene Diimide for High Performance n-Channel Organic Field Effect Transistors. Adv. Funct. Mater., 25: 3321–3329. doi:10.1002/adfm.201500837
Speaker: Mr. Adam Welford (Monash University)
• 14:45
Effects of Solvents on Organic Field Effect Transistor (OFET) Charge Transport and Thin-Film Morphology of a High Mobility n-type Semiconducting Copolymer P(NDI2OD-T2) 15m
The interaction between a solvent and semiconducting polymer plays a fundamental role in the formation of thin-films that are used to fabricate solution processed organic electronic devices. Depending on this interaction, polymer chains form different aggregates in a solvent that affects film morphology and in turn, charge transport properties. To realise efficient charge transport in an organic field effect transistor (OFET), understanding the effects of solvents on film morphology is thus crucial. This study explores the effects of solvents on OFET performance and morphology of a high mobility naphthalene-diimide-thiophene based n-type semiconducting copolymer P(NDI2OD-T2) with Mn = 31.2 kDa and Ð = 2.1. In particular, six solvents have been used ranging from tolerably-good solvents such as o-dichlorobenzene to tolerably-poor solvents such as chloroform and chlorobenzene and poor solvents such as p-xylene and toluene. A direct correlation between OFET mobility with the change in solvent quality is observed where average mobility increases from less than 0.30 cm^2/Vs for samples prepared from tolerably-good solvents to ~0.55 cm^2/Vs for samples prepared from poor solvents with a maximum mobility of ~1.5 cm^2/Vs, thanks to an intermediate aggregate formation. Interestingly, when molecular orientation is probed at the top interface by Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy, this increase in mobility is found directly proportional with increase in backbone tilt angles with poor solvents showing more edge-on orientation, resulting an efficient intra-chain charge hopping. Atomic Force Microscopy (AFM) and Resonant Soft X-Ray Scattering (R-SoXS) were used to investigate inter-and intra-chain connectivity of polymer chains and their orientational correlations across the samples. With fibrillar microstructures ranging a few hundred nm, samples prepared from poor solvents show correlations in the order of a few microns forming an efficient interconnected microstructure. Moreover, probing local order crystallinity of thin-films with Grazing Incidence Wide Angle X-Ray Scattering (GIWAXS) experiment indicates that samples prepared from poor solvents predominantly form longer order and closely packed edge-on components compared to face-on crystallites. Taken together, improvement in the saturation mobility of P(NDI2OD-T2) samples prepared from poor solvents such as p-xylene and toluene is attributed to intermediate aggregate formation in solutions, that in turn orients polymer backbones in a predominantly edge-on registry and forms micron-long orientationally correlated microstructures.
Speaker: Mr. Masrur Morshed Nahid (Monash University)
• 15:00
Structure of Concentrated Colloidal Suspensions using SAXS and SANS 15m
Colloidal suspensions of hard spheres are valuable experimental model systems for exploring phase behaviour and dynamics in condensed matter. Such colloids form colloidal crystals at concentrations above the freezing volume fraction of 0.494, allowing the investigation of the kinetics and dynamics of crystallization. As colloidal particles are much bigger than atoms, processes are correspondingly slower, and metastable states can be studied in real-time using the well-established technique of dynamic light scattering (DLS), or the more recently developed technique of x-ray photon correlation spectroscopy (XPCS). In this work we explore how the use of Synchrotron Small Angle X-ray (SAXS) and Neutron (SANS) scattering can be applied to the study of structure in colloidal suspensions near the freezing volume fraction. In particular we explore their advantages and disadvantages relative to traditional light scattering techniques.
Speaker: Prof. Gary Bryant (Centre for Molecular and Nanoscale Physics, School of Applied Sciences, RMIT University)
• 13:30 15:15
Concurrent Session 2: Structural Biology I - Sponsored by DECTRIS NCSS Seminar Room

NCSS Seminar Room

Convener: Dr. Begoña Heras (LA Trobe University)
• 13:30
The role of protein dynamics in the evolution of new enzyme function 30m
Enzymes must be ordered to allow the stabilization of transition states by their active sites, yet dynamic enough to adopt alternative conformations suited to other steps in their catalytic cycles. The biophysical principles that determine how specific protein dynamics evolve and how remote mutations affect catalytic activity are poorly understood. Here we examine a 'molecular fossil record' that was recently obtained during the laboratory evolution of a phosphotriesterase from Pseudomonas diminuta to an arylesterase. Analysis of the structures and dynamics of nine protein variants along this trajectory, and three rationally designed variants, reveals cycles of structural destabilization and repair, evolutionary pressure to 'freeze out' unproductive motions and sampling of distinct conformations with specific catalytic properties in bi-functional intermediates. This work establishes that changes to the conformational landscapes of proteins are an essential aspect of molecular evolution and that change in function can be achieved through enrichment of preexisting conformational sub-states.
Speaker: Prof. Colin Jackson (Australian National University)
• 14:00
Structural and Functional Insight into the Epigenetic Regulator SMCHD1 15m
Structural Maintenance of Chromosomes flexible Hinge Domain-containing 1 (SMCHD1) is a non-canonical SMC protein that plays critical roles in epigenetic regulation. Recently, heterozygous loss of function mutations in *SMCHD1* were identified in facioscapulohumeral muscular dystrophy (FSHD) patients, leading to failure of epigenetic silencing of the disease-causing gene *DUX4* in muscle cells. While the importance of SMCHD1 is well-described, there is limited understanding about how SMCHD1 protein mediates epigenetic control at the molecular level. We performed small-angle X-ray scattering (SAXS) studies of the two recognisable domains of SMCHD1, namely the SMC hinge domain that is responsible for nucleic acid binding and the putative GHKL ATPase domain. We demonstrated that the hinge domain of SMCHD1 assembles into an unconventional dimeric arrangement flanked by intermolecular coiled-coil. Furthermore, we showed the N-terminal region of SMCHD1 that encapsulates the ATPase domain grossly resembles the crystal structure of full-length Hsp90 protein. Importantly, we found the ATPase domain of SMCHD1 is catalytically active. Therefore, similar to Hsp90’s ATP-binding dependent conformational changes, we envisage that SMCHD1 dimer may undergo energy-dependent conformational changes to engage with chromatin. Additionally, ongoing characterisation of recombinant proteins incorporating patient-derived *SMCHD1* mutations have provided potential explanations for the underlying pathogenesis. Finally, our study has formed the basis of exploring activation of SMCHD1 as a potential therapeutic treatment for FSHD.
Speaker: Dr. Kelan Chen (Walter and Eliza Hall Institute)
• 14:15
Structural characterization by Small Angle Scattering suggests models for monomeric and dimeric forms of full-length ezrin 15m
Ezrin is member of the ERM (Ezrin-Radixin-Moesin) family of proteins that have been conserved through metazoan evolution. These proteins have dormant and active forms, where the latter links the actin cytoskeleton to membranes. ERM proteins have three domains: an N-terminal FERM (band Four-point-one ERM) domain comprising three subdomains (F1, F2 and F3); a helical domain; and a C-terminal actin-binding domain. In the dormant form, FERM and C-terminal domains form a stable complex. We have determined crystal structures of the active FERM domain and the dormant FERM:C-terminal domain complex of human ezrin. We observe bistable array of phenylalanine residues in the core of subdomain F3 that is mobile in the active form and locked in the dormant form. As subdomain F3 is pivotal in binding membrane proteins and phospholipids, these transitions may facilitate activation and signaling. Full-length ezrin forms stable monomers and dimers. We used small-angle x-ray scattering to determine the solution structures of these species. As expected, the monomer shows a globular domain with a protruding helical coiled-coil. The dimer shows an elongated dumbbell structure that is twice as long as the monomer. By aligning ERM sequences spanning metazoan evolution, we show that the central helical region is conserved, preserving the heptad repeat. Using this, we have built a dimer model where each monomer forms half of an elongated anti-parallel coiled-coil with domain-swapped FERM:C-terminal domain complexes at each end. The model suggests that ERM dimers may bind to actin in a parallel fashion.
Speaker: Dr. Anthony Duff (ANSTO)
• 14:30
Chemical Crystallography at the Australian Synchrotron MX Beamlines 15m
The macromolecular (MX) beamlines at the Australian synchrotron are mixed use between the structural biology and chemical crystallography (CX) communities. Since commissioning the high throughput MX1 bending magnet and the MX2 microfocus undulator beamlines have proven very successful for both communities. With the transfer of the Australian Synchrotron under ANSTO as recognition as its importance as landmark infrastructure for Australia and the federal government has committed to the future funding of the synchrotron for an addition 10 years. MX2 is in the process of completing the purchase, delivery and implementation of a state of the art Eiger detector (Structural Biology laboratories and Australian Cancer Research Foundation) and is well situated to continue to benefit both communities. It is fair to say that transitioning MX2 to the new generation of single photon counting detectors is going to be a game changer with data collection speeds increased at least ten fold. As such, the ability to handle an increase in sample numbers sample tracking through to automated methods of data analysis are currently under development. What is the future for chemical crystallography at the MX beamlines? A review of the current developments that are underway and some discussion of what may lie in the future will be presented.
Speaker: Dr. Jason Price (Australian Synchrotron)
• 14:45
Structural Insights into the Assembly and Regulation of Distinct Viral Capsid Particles 15m
• 15:00
Investigation of protein stability and activity in Ionic liquids (IL) to control 3D Structure and Function of Simple and Complex Biomolecules in a quantitative and systematic manner. 15m
Radhika Mohandass1, Dilek Yalcin1, Calum Drummond1 Tamar Greaves1 1. School of Science, College of Science, Engineering and Health, RMIT University, Melbourne, VIC, Australia Email: s3607967@student.rmit.edu.au Ionic liquids (ILs) can have a stabilizing or destabilizing effect on proteins, which is strongly dependent on the cation and anion of the IL (1). Consequently ILs have potential to be tailored as beneficial solvents for enzymatic reactions and protein storage. The aim here is to develop detailed structure-property relationships between protic ionic liquid cations and anions and their ability to stabilize proteins. This will advance our understanding of specific solvent properties on protein stability, such as cation, anion, ionic strength, salt concentration and pH. The understanding of protein stability and function in ionic liquids will be advanced through employing an approach which builds molecular complexity from simple amino acids to multiple amino acids connected by peptide (bonds) to proteins (2). The proteins of primary interest to this project are water soluble proteins, which are also enzymes, whose functionality is dependent on their 3-D structure. The quantitative approach will enable direct comparison of protein properties between these IL and IL-water solvents in conventional aqueous systems. References (1) Attri, P.; Venkatesu, P. Thermodynamic characterization of the biocompatible ionic liquid effects on protein model compounds and their functional groups. Phys. Chem. Chem. Phys. 2011, 13, 6566. (2) Patel, R.; Kumari, M.; Khan, A. B. Recent Advances in the Applications of Ionic Liquids in Protein Stability and Activity: A Review. Applied Biochemistry and Biotechnology 2014, 172, 3701.
• 13:30 15:15
Concurrent Session 2: Surfaces Conference Rooms

Conference Rooms

Convener: Kevin Jack (University of Queensland)
• 13:30
Diamond Surfaces for Quantum Applications 30m
Diamonds exhibit remarkable properties at the confluence of biological and quantum sciences. The crystalline carbon lattice of this material acts as both a quantum vacuum, allowing long lived coherent states at room temperature, while also presenting a bio-friendly interface. Point defects in this material are now being used for an ever expanding array of quantum information and sensing applications, including live intra-cellular biosensing. However the diamond surface, including its typical termination structure, is to date poorly controlled or understood. This seriously compromises the quantum properties of near-surface point defects (qubits), limiting the applicability of this system. I will present our use of the full capabilities of the soft x-ray spectroscopy beamline, in conjunction with DFT-driven simulations and CVD-based diamond synthesis, to create, modify and probe diamond surfaces. This has allowed us to begin understanding and eliminating surface states and structures, which interfere with diamond’s otherwise superlative materials properties. In doing so we have created novel surface chemistries, found unexpected surface crystalline defects (including air-stable dangling bonds) and optimized the production and processing steps required to create high-performance diamond devices for a variety of applications. I will also give an overview of the various associated diamond defect applications we are pursuing, including wide-field magnetic and thermal imaging, bio-sensing and 2-D materials characterization.
Speaker: Dr. Alastair Stacey (School of Physics, The University of Melbourne)
• 14:00
Controlling the Edge-on vs. Face-on Stacking of Semicodundcting Polymers Using Diffusive Noncovalent Interactions 15m
In thin films of semiconductor polymers, the polymer chains often exhibit distinct orientation with respect to the substrate. The planar π-face of the backbone typically orients either in an edge-on or face-on manner. Generally, an edge-on alignment is thought to be favourable for transport in thin film transistors, whereas face-on alignment is considered to improve vertical transport as desired in solar cells. However, molecular orientation is among the very few parameters that usually cannot be controlled when tailoring new semiconducting polymers. Here we show for an important class of semiconducting polymer that both the mode of orientation as well as the degree of alignment can be well controlled by exploiting diffusive non-covalent interactions along the backbone. Studying polydiketopyrrolopyrroles (PDPPs) as a case study, by strategically varying chemical structure we demonstrate systematic variation in molecular orientation with degree of chain planarization resulting from different degrees of diffusive non-covalent interactions. This observation opens the possibility of controlling and optimizing the orientation of semiconducting polymer chains in thin films by rational design.
Speaker: Chris McNeill (Monash University)
• 14:15
The Evolution of Surface Silica Nanoparticles on Coated Steel Surfaces under High UV and High Humidity Environments Observed Using Synchrotron Macro ATR-FTIR Microspectroscopy 15m
Corrosion of metallic surfaces is prevalent and of great concern in a wide range of industries, particularly those in transport, aviation, building and food sectors, reportedly responsible for a direct cost of $276 billion per annum(1). Galvanization has been widely used as a corrosion preventative method by coating the metallic surfaces with zinc that serves as a physical barrier to prevent corrosive substances from reaching the underlying metal. In tropical and sub-tropical climates with prolonged exposure to high UV and high humidity, thermosetting polymer coatings based on polyesters have also been used to provide an additional protection to the galvanized metal. This prevents the build-up of moisture within the pits present on the metallic surface where the zinc oxide passive film is weak, leading to localized corrosion(2). Recent advances in surface engineering using silica nanoparticles (SiO2NPs) have allowed the development of innovative and highly functional surface coatings with enhanced corrosion resistance and durability(3). Nevertheless, long-term effect of environmental factors upon these materials remains unknown. In this study, chemical evolution of SiO2NPs-embedded polyester coatings on steel substrata was analysed after 5 years of exposure to tropical/sub-tropical environments in Singapore and Australia using synchrotron-based macro ATR-FTIR microspectroscopy and surface topographic techniques. Principal component analysis (PCA) based on FTIR spectral data observed at 9% SiO2NPs shows differences in their response to environmental factors between the control group and the surfaces subjected to 3-year exposure. The clustering feature suggests changes in molecular structure of the coating resulted from the exposure, which principally involved triazine ring vibration in the melamine resins. Such molecular evidence corroborates well with the fact that the triazine ring is very sensitive to hydrolysis, particularly under high humidity conditions in tropical environments. ![Fig. 1: (A,B) microscopic and optical profiling images, (C) synchrotron ATR-FTIR maps of carbonyl band in polyester resin, and (D) PCA, obtained for SiO2NPs-embedded polyester coating on steel discs at 9% SiO2NPs observed between control and after 3 years of exposure in Singapore.][1] **References:** 1. G. H. Koch *et al*., Corrosion Costs and Preventive Strategies in USA, *Materials Performance*, Federal Highway Administration, VA, 2002. 2. R. Winston Revie *et al*., *Corrosion and Corrosion Control*, John Wiley & Sons, 2008, 333-365. 3. M. J. Hollamby *et al*., *Advanced materials*, 2011, 23, 1361-1365. [1]: https://owncloud.synchrotron.org.au/index.php/s/7hjkCNUyhhuJN8x Speaker: Dr. Jitraporn (Pimm) Vongsvivut (Infrared Microspectroscopy (IRM) Beamline, Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168, Australia) • 14:30 The new RAIRS system at the THz/Far-IR Beamline - Laboratory Astrochemistry. 15m The second half of 2016 has seen the completion of a bespoke experiment installed at the THz/Far-IR Beamline. Funded by the ARC through CI Ennis' DECRA project, the apparatus has been designed for dual-purpose Matrix-Isolation and Reflection-Absorption Infrared Spectroscopy studies. A chamber sitting within the beamline’s Bruker FTIR sample compartment reaches high-vacuum by differential pumping. This chamber supports the second-stage of a compressed helium cryocooler where the mounted sample surfaces (either IR transmission windows or polished metal substrates for reflection studies) can be cooled to 10 K. Low temperature chemical vapour deposition methods are used to deposit thin films of molecular ices where their morphologies can be controlled by annealing the solid. Alternatively, inert matrices of noble gases containing reactive radicals and intermediates could be produced by electric discharge or photolysis of the deposition gas stream. 270 degree rotation of the coldhead allows for sequential ‘sample deposition/spectrum acquisition’ for temporal film growth studies, as well as allowing for transmission and grazing angle measurements to be performed on the same instrument. Initial experiments will interrogate the physical and optical properties of thin nitrile films. Small nitrile molecules, such as hydrogen cyanide, acetonitrile, and propionitrile have all been identified in their condensed phase within the cold atmosphere of Saturn’s largest moon Titan. The product of ongoing photochemical and fast particle processing of nitrogen and methane in the ionosphere, nitrile species transport to lower altitudes. Here, they can condense as icy layers on the surfaces of haze particles, where the layer morphology is specific to the physical conditions present at the atmospheric location. The condensed-phase also act as sites where higher-order chemistry can unfold more efficiently than the gas – such as complex cyanide chemistry pathways thought to lead to amino-acid synthesis in cold, extra-terrestrial environments. This talk will introduce our first forays into laboratory astrochemistry at the Australian Synchrotron; connecting previous aerosol experiments to our current thin-film work on nitrile ice morphology. Also highlighted will be new DFT methods (using computationally lenient code Crystal14) that have returned accurate vibrational frequencies, particularly for intermolecular translation and libration modes associated with the far-IR for molecular crystals. Finally, the capabilities of the new RAIRS system will be detailed to promote its use amongst the infrared beamline community as an additional accessory for low temperature analysis of the condensed-phases. Speaker: Dr. Courtney Ennis (La Trobe University) • 14:45 Investigation of fungal infestation on metallic and polymer surfaces using synchrotron-based macro ATR-FTIR microspectroscopy 15m Fungi possess the ability to colonize a wide array of surfaces, including metallic surfaces; the product of colonization is the proliferation and formation of a fungal biofilm followed by the degradation and alteration of the metallic surface. In particular, microbially-induced corrosion on the surface of metals occurs due to changes in the local acidity, creating galvanic and differential aeration cells, with the galvanic corrosion rate being shown to be a function of temperature. Three common fungi (*Aspergillus niger* ATCC 9642, *Aureobasidium pullulans* ATCC 9348 and *Epicoccum nigrum* ATCC 42773) were utilised to study the fungal spores adhesion, hyphae development followed by the biofilm formation on different types of metallic surfaces (stainless steel SL316, titanium commercial grade 2, polyester-coated steel and anti-fungal paints (Microban®). Growth behaviour and molecular characteristics of fungal infestation on these surfaces were monitored using scanning electron microscopy and synchrotron-macro ATR-FTIR microspectroscopy. It was found that three fungal species studied were able to attach and colonise the metallic surfaces after 18 h incubation. Hyphae development was observed after 3 days of fungal interactions with metallic surfaces except anti-fungal paints surfaces. The latter were colonized by fungi after 7 days. ATR-IR microscopy revealed that only *E. nigrum* and *Aspergillus niger* were found to deposit pigments on these surfaces. Speaker: Dr. Vi Khanh Truong (School of Science, Faculty of Science, Engineering and Technology, Swinburne University of Technology) • 15:00 Photo-Switchable Block Copolymer Self Assembly 15m Block copolymers can self-assemble into well-defined, nanoscale morphologies, which are typically isotropic and lack long range order. Chemical or physical templates generated through optical lithography can direct self assembly to create morphologies with enhanced long range order and fashion them into hierarchical patterns. This ability allows the patterns formed to be optimized to be more suitable for a desired application. Alternatively, the incorporation of stimuli-responsiveness into these materials has the potential to exert similar control over long range order and pattern complexity, while also creating dynamic nanostructures with expanded functionality. Here, photo-responsive block copolymers are synthesized and their ability to undergo a change in morphology triggered by light exposure is investigated. This will allow direct spatial control to be exerted over self-assembled nanostructures produced in thin block copolymer films. Photo-responsive block copolymers were synthesized through successive RAFT polymerisations and post-polymerisation modification reactions to yield poly(benzyl methacrylate)-b-poly(o-nitrobenzyl methacrylate). When the o-nitrobenzyl group is exposed to UV light, it degrades to reveal a carboxylic acid functional group, allowing the polymer to be switched from a structure with two aromatic blocks and low segregation strength to an aromatic and polar acid block with a large segregation strength and induce self-assembly as a result. Samples of this material were exposed to UV radiation for varying amounts of time to achieve different degrees of o-nitrobenzyl group deprotection and different levels of segregation strength as a result. GISAXS was used to characterize the evolution of morphology during this process, taking advantage of the high sample throughput achievable through the use of a synchrotron X-ray source to characterize a large number of samples and optimize annealing conditions for the controlled evolution of nanoscale architectures in these materials. 1Australian Institute of Bioengineering and Nanotechnology, The University of Queensland, St Lucia, Queensland Australia 2Centre for Microscopy and Microanalysis, The University of Queensland, St Lucia, Queensland, Australia 3Centre for Advanced Imaging, The University of Queensland, St Lucia, Queensland, Australia Speaker: Mr. Lewis Chambers (University of Queensland) • 15:15 15:35 Afternoon Tea 20m • 15:35 16:10 Facility Update Conveners: Prof. Andrew Peele (Australian Synchrotron) , Prof. Michael James (Australian Synchrotron) , Dr. Miles Apperley (Australian Nuclear Science and Technology Organisation) • 16:10 16:50 Student Poster Slam Oliphant Auditorium () Oliphant Auditorium Convener: Prof. Michael James (Australian Synchrotron) • 16:50 17:00 Group Conference Photo • 17:00 18:30 Welcome Function and Poster Session NCSS Exhibition Space () NCSS Exhibition Space • 18:30 19:00 Buses Depart for Dinner • 19:00 22:30 Dinner 3h 30m • Friday, 25 November • 07:30 08:00 UAC Breakfast Meeting (by invitation only) • 08:00 08:45 Registration NCSS Exhibition Space NCSS Exhibition Space • 08:45 09:35 Plenary 2: Tuneable Materials and Material Dynamics, Anita Hill Convener: Dr. Suzanne Neville (The University of Sydney) • 08:45 Tuneable Materials and Material Dynamics 50m Characterisation of tuneable and adaptive materials at the Australian Synchrotron has enabled an understanding of non-equilibrium processes such as solute partitioning and phase competition in alloys [1-6], architecturing of free volume in polymers [7-9], and biomineralisation of metal-organic-frameworks (MOFs) [10-16]. In situ small angle X-ray scattering (SAXS) and in-situ powder X-ray diffraction (PXRD) have been used to gain insight into the dynamic processes that lead to superior performance of materials for use as structural alloys, corrosion resistant alloys, gas separation membranes, and for use in encapsulation of biomolecules and biological units. The talk will highlight the work of CSIRO and collaborators (all work has been advanced by Australian Synchrotron results). Acknowledgements: The work has been supported by funding from a number of programs including CSIRO OCE Science, ARC, AS and ISAP. All of the co-authors on the publications listed below and their funding agencies are valued contributors to, and enablers of, this work. Paolo Falcaro and Raffaele Ricco are now located at Institute of Physical and Theoretical Chemistry, Technical University Graz, Stremayrgasse 9, 8010 Graz, Austria. 1. A. Deschamps, et al. C.R. Hutchinson, Acta Mater 2011, 59, 2918. 2. M.D.H. Lay, et al. T.J. Bastow, Acta Mater 2012, 60, 79. 3. M.J. Styles, et al. T.J. Bastow, Acta Mater 2012, 60, 6940. 4. M.J. Styles, et al. C.R. Hutchinson, Acta Mater 2015, 98, 64. 5. R. Jindal, et al. C.R. Hutchinson, Corrosion Science 2014, 84, 54. 6. M.J. Styles, et al. C.R. Hutchinson, Acta Mater 2016, 117, 170. 7. H. B. Park, et al. D. J. Cookson, Science 2007, 318, 254. 8. Aaron W. Thornton, et al. Anita J. Hill, J Phys Chem C 2013, 117, 24654. 9. Sang Hoon Han, et al. Paolo Falcaro, Small 2013, 9, 2277. 10. Buso D.; Falcaro, P. WO2011/133999 2011. 11. Doherty CM, et al. Falcaro P. WO2014AU00075 20140204, 2014. 12. Liang, K., et al. Falcaro, P. TW8864/AU/PROV 20140707, 2014. 13. Erika Zanchetta, et al. Paolo Falcaro, Chem Mater 2015, 27, 690. 14. Liang, K., et al. Falcaro, P. Nature Communications 2015, 6, 7240. 15. Liang, K. et al. Falcaro, P. Crystal Engineering Communications 2016, 18, 4264. 16. Kang Liang, et al. Paolo Falcaro, Advanced Materials 2016, 28, 7910. Speaker: Dr. Anita Hill (CSIRO) • 09:35 10:05 2016 Australian Synchrotron Stephen Wilkins Thesis Medal Award Oliphant Auditorium () Oliphant Auditorium Convener: Prof. Michael James (Australian Synchrotron) • 10:05 10:35 UAC Town Hall • 10:35 11:00 Morning Tea 25m • 11:00 12:30 Concurrent Session 3: Imaging - Sponsored by MASSIVE Convener: Dr. Mark John Hackett (Curtin Univeristy) • 11:00 Quantified, multi-scale element mapping of geological samples using the Maia detector array 30m Studies of ore systems require microanalysis of samples to gather information on mineral chemistry. Information from in-situ microcharacterisation studies can be used both to recognise mineral zonations and chemical relationships among mineral phases that provide a record of hydrothermal activity, fluid chemistry and fluid-rock reactions. Such information is vital in constraining the physio-chemical conditions during ore genesis and mineral alteration. The Maia large solid-angle detector array on the X-ray Fluorescence Microscopy (XFM) beamline at the Australian Synchrotron is capable of collecting high-resolution images of up to ∼100 M pixels in size with dwell times of less than 0.2ms per pixel. Thus it is possible to document variation in mineral textures associated with trace element chemistry by collecting quantified elemental maps of geological samples on the scale of entire thin sections (5x2.5 cm) in a short time frame (6-8 hours). The analysis is non-destructive and allows variation to be recognised on centimetre scale while also recognising zonations at the micron scale. The large area scanning capability and the geometry of the Maia Detector array have also led to this technique becoming an effective tool for rare phase detection; a result of the penetrating power of synchrotron X-ray radiation and the consequent ability to image small grains within a sample volume (Ryan et al. 2014). The use of synchrotron radiation increases by ~70 times the chance of intersecting rare phases compared to conventional 2D techniques such as SEM (Godel 2013). Two case studies show-casing these different applications of the Maia imaging approach to geological materials are presented: (1) an investigation of the microstructural and microchemical changes characteristic of large-scale fluid pressure cycling in vein-hosted high grade gold mineralisation; (2) a study of primary cumulus platinum minerals to understand magmatic microenvironments. Speaker: Dr. Louise Fisher (CSIRO) • 11:30 Synchrotron radiation imaging of aortic stent grafting: An in vitro phantom study 15m This study was conducted on a human aorta phantom with a commercially available stent graft placed in the aorta with the aim of investigating visualization of aortic stent graft by synchrotron radiation. Synchrotron tomography experiments were performed on imaging and medical beamline at the Australian Synchrotron facility, with beam energy ranging from 40 to 100 keV, with spatial resolution of 19.88 μm per pixel. Computed tomography (CT) scans were performed on a 64-slice CT scanner with slice thickness of 1.0, 1.5 and 2.0 mm. Maximal transverse diameter of stent wires was measured on synchrotron radiation and 64-slice CT images at suprarenal stent struts and main body of aortic stent graft. The stent wire diameter measured on synchrotron images was between 0.4 and 0.5 mm, representing the actual diameter of wire thickness, while overestimated wire thickness was seen in 64-slice CT images with measured wire diameter ranging from 1.0 to 1.6 mm. There were no significant differences in stent wire diameter between suprarenal stent struts and main body stent graft by comparing two-dimensional (2D) axial (p=0.93) and three-dimensional (3D) synchrotron image measurements (p=0.07). Significant difference was found between 2D and 3D synchrotron measurements of stent wire diameter in the main body of stent graft (p=0.001). In contrast, significant differences were found in stent wire diameter at the levels of suprarenal stent struts and the main body of stent graft by comparing 2D axial and 3D CT image measurements (p=0.03 and 0.001 respectively). Also, significant differences were reached by comparing measurements taken at the suprarenal stent struts and main body of stent graft with use of 2D axial (p=0.04) and 3D CT images (p=0.001). Synchrotron radiation provides superior advantages over multislice CT for visualization of aortic stent wire structure with measurements representing the actual diameter, thus allowing accurate assessment of endovascular stent graft repair. Speaker: Prof. Zhonghua Sun (Curtin University) • 11:45 Elevated airway liquid volumes at birth: a potential cause of transient tachypnea of the newborn 15m Before birth the fetal lungs are filled with liquid, which must be cleared at birth to allow entry of air and onset of gas exchange. The rate of preterm birth and non-labour caesarean delivery has substantially increased, which delays lung liquid clearance and increases the risk of neonatal respiratory complications. Retention of liquid in airways and/or lung tissue is thought to underpin the respiratory morbidity associated with transient tachypnea of the newborn (TTN). TTN results in rapid and laboured breathing immediately after birth or in the hours following delivery, that often requires respiratory support. We examined the effects of elevated airway liquid volumes on respiratory function in the immediate newborn period. Pregnant New Zealand white rabbits underwent caesarian surgery and fetal rabbits (kittens) were delivered at 30 days of gestation (term, ~32 days). Following delivery, kittens were surgically intubated, and either had lung liquid drained to mimic the natural clearance at birth (Control, n=7) or had liquid added to the lungs (30ml/kg; 0.9% sodium chloride) to mimic delayed liquid clearance (TTN, n=7). Kittens were positioned inside a plethysmograph and were mechanically ventilated. Phase contrast X-ray images were obtained (24keV; 10Hz framerate; 20ms exposures; 2m propagation distance; at the SPring-8 synchrotron in Japan), and imaging analysis was undertaken to determine regional lung gas volumes, airway dimensions and chest and lung shape and size. Data were analysed using a two-way repeated measures ANOVA with Sidak’s multiple comparisons test (P<0.05). Following ventilation onset, TTN kittens exhibited differences in the temporal and spatial pattern of lung aeration. TTN kittens required a greater time to achieve lung aeration and exhibited regional differences in aeration pattern. Delayed lung liquid clearance in the TTN group resulted in differences in the size of alveoli and uniformity of lung aeration. The average airway size was greater in TTN kittens, particularly in the upper lung quadrants. The excess liquid in the TTN group resulted in an increase in the radius of the diaphragm, increased lung height and total chest area. We have provided evidence for adverse effects of delayed lung liquid clearance on lung structure and function in the immediate neonatal period. This reduced ability of the lung to aerate efficiently provides evidence for increased respiratory morbidity in these neonates following birth. Overall, tailoring respiratory management strategies may lead to improved outcomes for these babies in clinical practice. Speaker: Dr. Erin McGillick (The Ritchie Centre, Hudson Institute for Medical Research, Melbourne, Australia & The Department of Obstetrics and Gynecology, Monash University, Melbourne, Australia) • 12:00 Aluminum (Al) accumulates within the root apoplast in an Al-tolerant wheat cultivar 15m Acid soils comprise ca. 4 billion ha of the global ice-free land or ca. 40 % of the world’s arable land. In these acid soils, the elevated solubility of Al-containing minerals results in increased concentrations of Al in the soil solution. Soluble Al is highly toxic to root growth, reducing elongation of roots in as little as 5 min due to an inhibition of wall loosening as required for cell elongation. Some plant species tolerate high levels of Al by releasing simple organic ligands (such as malate) to complex Al and reduce its toxicity. It is known that the secretion of malate from wheat roots occurs rapidly (within 15 min), increases with increasing Al concentration, and occurs largely from the apical 3-5 mm of the root. However, it remains unclear whether complexation of Al actually occurs within the rhizosphere or whether it occurs within the root tissue itself. We utilized low energy X-ray fluorescence (LEXRF) to examine the distribution of Al within root apices of two near-isogenic lines (NILs) of wheat (ET8 and ES8, being tolerant and sensitive, respectively) that differ ca. 15-fold in their tolerance to Al. When grown in solutions containing Al at concentrations resulting in a 50 % reduction in RER over 48 h (i.e. 3.5 µM Al for ES8 and 50 µM for ET8), concentrations of Al in the root apical tissues were ca. 4- to 6-times higher for ET8 than for ES8 despite the magnitude of the reduction in RER being the same. Of particular interest, we compared ES8 and ET8 at Al concentrations causing similar reduction in growth, and it was noted that the distribution of Al within the rhizodermis and outer cortex was similar – most Al was located within the cell wall in all instances. In the present study, we have shown that the ability of the Al-tolerant wheat NIL, ET8, to grow at elevated Al concentrations results not only from a reduction in Al concentrations within the root tissue due to the complexation of Al by malate external to the root (i.e. within the rhizosphere). Speaker: Dr. Peter Kopittke (The University of Queensland) • 12:15 Extreme imaging on Imaging and Medical Beamline 15m The Imaging and Medical Beamline (IMBL) of the Australian Synchrotron is recognised as one of the most advanced facility for the Computed Tomography (CT) experiment. It was designed for the macro-imaging, just touching the microscopy ranges in the highest magnification configuration. This design assumes that the beamline must be capable of imaging large objects up to 50cm wide. The monochromatic beam available on the IMBL can penetrate through the large object only if it consists of softer materials usually met in the biological tissues, while the samples of higher densities are not transparent enough to form the contrast of sufficient quality. In order to overcome this limitation we have been testing the pink-beam imaging modality. In this mode we are not using the monochromator which extracts a very narrow band from the wide spectrum produced by the superconducting multipole wiggler of the IMBL, but instead applied extensive filtration which suppresses the low-energy component of the beam allowing only the highest energy fraction to pass through. This approach is optimally implemented when the high magnetic field (4T) is applied to the wiggler magnet, what shifts the spectrum toward the high-energy end. In the last year we have tested this technique in two major beamline configurations: the near-source imaging in the enclosure 2B and the far-end in the enclosure 3B. The first of these configurations is optimal for the highest energy beam due to the high flux which is achieved for the price of the relatively small beam - up to 70(w) x 7(h) mm. Combination of this beamline configuration with the most sensitive of our detector (Hamamatsu flat panel, 200$\mu m$pixel size) defines the most extreme imaging conditions available on the IMBL. The pink beam produced under these conditions has the peak energy above 360keV and allows to perform a successful CT scan of a 4cm led sample in less than one hour. In the far-end configuration of the IMBL the beam reaches 45(w) x 4(h) cm in size, what reduces the flux and dictates softer filtration with the peak energy of the pink beam being slightly above 300keV. The beam was tested with various objects which included a soil sample more than 35cm in width, metal tools of various sizes and large fossils. This presentation describes the method in details and presents some of the results obtained. Speaker: Dr. Anton Maksimenko (Australian Synchrotron) • 11:00 12:30 Concurrent Session 3: Industry & Innovation Oliphant Auditorium Oliphant Auditorium Convener: Dr. Robert Acres (Australian Synchrotron) • 11:00 The Australian Synchrotron and Advanced Materials: Challenge/Opportunity/Solutions 15m One of Australia’s world class research facilities, the Australian Synchrotron, provides cutting edge tools to academic and industry researchers, empowering them to problem solve and innovate in a wide range of sectors. As well as servicing the traditional academic user base, the Australian Synchrotron has an Industry Engagement team focused on supporting commercial customers to utilise the synchrotron’s capabilities. However, going beyond the academic user base presents some challenges as well as opportunities. This presentation will:  Discuss how to raise awareness and understanding of technical capabilities to potential commercial clients  Share ways to inspire businesses to explore applications and capitalise on the opportunities arising from our world class infrastructure  Showcase existing case studies, demonstrating successful connections between science and industry Examples of case studies from the Australian Synchrotron will be presented that highlight the capabilities and advantages of the facility to commercial and academic users. Lessons learned will be shared as well as a practical approach to achieving “buy in” from key decision makers to achieve a mutually beneficial outcome. Speaker: Dr. Robert Acres (Australian Synchrotron) • 11:15 micro-CT analysis of metallurgical coke 15m Coal is a highly complex and heterogeneous material. Certain coals will convert to coke when heated in the absence of oxygen. Coke, which is a high strength reducing agent, is required for conversion of iron ore into molten iron in a blast furnace. As such, it is a key element in the steelmaking process. Annual exports of Australian coking coals amount to around A$20b. Our research has extensively utilised the Imaging and Medical Beamline at the Australian Synchrotron to obtain micro-CT images which accurately map the microstructure of different coke samples. We use these images to relate the coke microstructure to its strength and reactivity properties, which account for its quality. Insights from the work assist in identifying new ways to improve the quality of coke made from a particular coal, or blend of coals, as well as identifying ways that models used to predict coke strength can be improved. Our research demonstrates the value of micro-CT imaging at the Australian Synchrotron as a research tool in cokemaking, helping to keep Australia at the forefront of innovation in this field as well as to maintain and extend the value of Australia’s metallurgical coal resources.
Speaker: Dr. David Jenkins (CSIRO)
• 11:30
FACTORY OF THE FUTURE: COMPOSITE AUTOMATION AND GRAPHENE CERTIFICATION FACILITY 15m
Swinburne’s Factory of the Future is located in the recently opened \$100 million Advanced Manufacturing and Design Centre at the university’s main campus in Melbourne, Australia. The Factory of the Future is one of three pillars of Swinburne’s newly launched Innovation Precinct which emphasises design and digital technologies to tackle manufacturing challenges, and pilot production and fabrication processes developed in collaboration with industryThis facility is an intentionally designed platform to demonstrate to Australian manufacturers the principles and benefits of Industry 4.0 concepts and will exploit Swinburne’s emerging strengths in composite materials and existing strengths in design, visualisation, robotics, automation and big data. This presentation will describe the current capabilities of the Factory of the Future and will highlight the future directions for the development of the first Graphene Certification Facility to connect Australian industry into global advanced manufacturing supply chains that use graphene. There are currently several hundred companies producing or using graphene in their products. Industrial consumers of graphene require material produced at scale that is of replicable quality that meets their specific application needs. There is an urgent need for collaboration across the supply chain to develop standard certification processes that are end user centric, ensuring advanced materials containing graphene are sufficiently well characterized to enable proven supply chain management processes to be followed. The facility will conduct the foundation research required to identify the analytical tools that can be routinely applied to certify graphene products, enabling companies to validate their supply chains. The facility will utilise significant infrastructure and expertise at the Australian Synchrotron with special focus on SAXS/WAXS and XFM techniques. These techniques are critical for informing different stages of graphene manufacturing such as isolation of graphene from the starting material, to intermediates, and the final product. X-rays can quantitatively inform the success of exfoliation or intercalation of graphene and is particularly useful to demonstrate functionalization. The Swinburne/Synchrotron partnership will play a key role in building unique insight into the translation of research-based characterisation into the manufacturing sector, which in turn will be able to impact the wider advanced materials industry.
Speaker: Prof. Bronwyn Fox (Swinburne University of Technology)
• 11:45
Synchrotron Industry Case Studies over 20+ years 15m
This presentation will provide an overview of industrial studies using synchrotron-based techniques undertaken over the past 20+ years by the presenter. The objective is to provide perspective on the wide scope of possible applications and motivations for industry participation. These applications focus mainly on minerals and materials studies and have included: • wax crystallisation from diesel fuels using in situ energy dispersive diffraction and powder diffraction at Daresbury Laboratory; • doping of titania pigments using XAS at Daresbury Laboratory and Hasylab; • gibbsite precipitation using in situ diffraction at the Photon Factory, • Cu activation of sulfide minerals using XAS at the Photon Factory, • analysis of glass lenses at the Photon Factory, • Pt speciation during refining using XAS at Anka, • Ni and U mineralogy using microprobe analyses at the Advanced Light Source and Advanced Photon Source, • Ni laterite leach residues using XAS at Anka, • analysis of Ni alloys using microdiffraction at the Advanced Photon Source; • cryogenic treatments of steels using microdiffraction at the Advanced Photon Source, • chalcopyrite and pyrite leaching using SPEM at Electra and the Advanced Light Source, • scaling in Bayer refineries using XAS at the Australian Synchrotron, A wide range of companies have provided support of these studies including Exxon, QAL, Comalco, Alcoa, Worsley, Nabalco, Biliton, Rio Tinto, BHP Billiton, Amplats, Anglo America, Cytec, State Governments and Tiwest. Examples from these studies will be presented. How to involve companies in projects involving synchrotron studies will also be discussed as will the issues limiting greater industry participation.
Speaker: Prof. Andrea Gerson (Blue Minerals Consultancy)
• 12:00
Discussion Panel 30m
• 11:00 12:30
Concurrent Session 3: Radiotherapy I NCSS Room

NCSS Room

Convener: Dr. Jeffrey Crosbie (RMIT University)
• 11:00
Clinical synchrotron radiotherapy programs from a medical physicist point of view 30m
Speaker: Dr. Jean-François Adam (Université Grenoble-Alpes &amp; Centre Hospitalier Universitaire Grenoble-Alpes)
• 11:30
Differential response of Diffuse Intrinsic Pontine Glioma cell lines to microbeam versus conventional radiotherapy 15m
Speaker: Mr. Lloyd Smyth (University of Melbourne, Epworth HealthCare)
• 11:45
Speaker: Francesca Di Lillo (Dept. of Phys. "Ettore Pancini", University of Naples Federico II,Naples, Italy & INFN, Sez. Napoli, Italy)
• 12:00
Synchrotron MRT radiation induces DNA damage and inflammatory response in normal mouse tissues distant from the irradiated volume 15m
Speaker: Mrs. Jessica Ventura (The Department of Obstetrics and Gynaecology, The Royal Women’s Hospital, Melbourne, VIC; Molecular Radiation Biology Laboratory, Peter MacCallum Cancer Centre, Melbourne, VIC)
• 12:15
Optimizing Microbeam Radiation Therapy with High-Z Nano-structured Ceramic Particles 15m
Speaker: Prof. Michael Lerch (University of Wollongong)
• 12:30 13:30
Lunch 1h
• 13:30 15:15
Concurrent Session 4: Radiotherapy II Conference Rooms

Conference Rooms

Convener: Dr. Jean-François Adam (Université Grenoble-Alpes &amp; Centre Hospitalier Universitaire Grenoble-Alpes)
• 13:30
Curing Cancer with the Synchrotron 30m
Microbeam radiotherapy (MRT) was proposed as a novel RT paradigm for treating cancer some time ago. However, progress has been slow and it is unclear when or if human cancers will be treated with synchrotron radiation. There are numerous biological, medical, technical, regulatory and ethical issues to consider before a human is subjected to synchrotron MRT. This talk will give an overview of the issues that are being, and still need to be, addressed. Latest data from the current AS/IMBL MRT program will also be presented.
Speaker: Prof. Peter Rogers (University of melbourne)
• 14:00
A pre-clinical sample positioning system for microbeam radiotherapy at the Australian Synchrotron 15m
Microbeam radiation therapy (MRT), using X-rays from a synchrotron, is a novel, preclinical form of radiotherapy that shows promise of providing a major advance in cancer control if successfully translated to clinical practice (Brauer-Krisch et al, 2010; Crosbie et al, 2010). Clinical translation of MRT requires developing a protocol for a patient positioning system (PPS). Following recent developments in image-guided synchrotron MRT (Pelliccia et al, 2016a and 2016b), we present the implementation of a pre-clinical protocol at the Imaging and Medical Beamline of the Australian Synchrotron. The synchrotron PPS will be composed of three key elements: 1) Treatment planning 2) Synchrotron imaging 3) Image registration and patient alignment. The treatment plan, available before the synchrotron session, is imported into the synchrotron control system. Imaging of the patient is done at the beam line, using either the synchrotron beam or a conventional x-ray tube unit. The images are registered with the existing treatment plan and the patient is aligned according to the registration. Verification is performed after alignment and before the treatment is initiated. We have developed a functional positioning system protocol using a small animal phantom, namely a plastinated mouse. A CT of the phantom is taken using a medical CT machine and then imaged again at the beam line. The image is registered with a Digitally Reconstructed Radiography (DRR) from the CT and the registration prompts a sample alignment and image verification. The registration process allows for anatomical landmarks or fiducial markers to be used for alignment. This preclinical sample positioning system protocol for synchrotron microbeam radiotherapy (MRT) has been realised at the Australian Synchrotron with scalability included to allow for patient positioning chairs and couches with many more degrees of freedom. The protocol marks a further step towards the clinical translation of synchrotron MRT. ---------- **References:** Brauer-Krisch E et al (2010) Effects of pulsed, spatially fractionated, microscopic synchrotron X-ray beams on normal and tumoral brain tissue. Mutat Res 704:160-166. Crosbie, J C et al (2010) Tumor cell response to synchrotron microbeam radiation therapy differs markedly from cells in normal tissues. Int J Radiat Oncol Biol Phys 77:886-894. Pelliccia D et al (2016a) Image guidance protocol for synchrotron microbeam radiation therapy. J Synchrotron Rad 23:566-573. Pelliccia D et al (2016b) Phase contrast image guidance for synchrotron microbeam radiotherapy. Phys Med Biol accepted.
Speaker: Mr. Micah Barnes (RMIT)
• 14:15
Microbeam Dosimetric Verification using Presage® Dosimeters 15m
Dosimetric properties of synchrotron microbeams are extremely difficult to measure due to the small field sizes employed (typically 50 um width with 200 – 400 um peak-to-peak spacing) and must undergo rigorous validation before patient treatments can be performed on the IMBL. The radiochromic PRESAGE® dosimeter offers a unique opportunity to validate dosimetry models in 3D with similar radiological responses to water over a wide energy range that includes synchrotron energies for SSRT and MRT treatments. Our previous work on the IMBL verified the dosimetric properties of synchrotron beams with ion chamber measurements, radiosensitive film and Monte Carlo simulations for SSRT beams using 3D optical CT on water-equivalent PRESAGE® dosimeters. In this work Laser Fluorescence Confocal Microscopy (LFCM) has been utilised to investigate the dosimetric properties of MRT beams with water-equivalent PRESAGE® dosimeters.
Speaker: Mr. Frank Gagliardi (William Buckland Radiotherapy Centre)
• 14:30
How big is that diamond? 15m
Detectors using diamond for the active layer are becoming more popular in radiotherapy because they have a relatively flat energy response and can be small. Recently published modelling of a new solid-state diamond detector (PTW model 60019) suggests that only a region of diameter 0.6 mm responds to radiation. The manufacturer’s specifications indicate that the active area is a disk of diameter 2.2 mm. We measured the active area by collimating a synchrotron beam of average energy 95 keV to spatial dimensions of 0.1 mm and scanning the diamond through the beam. The measured area had a diameter of 2.4 mm, in good agreement with the specifications when the beam size is considered. 2D plots of the diamond spatial response also confirm the shape of the active area.
Speaker: Dr. Duncan Butler (ARPANSA)
• 14:45
Progress report on the European MRT program: What can the Australian MRT community learn from the European experience? 15m
There are currently two biomedical synchrotron beamlines in the world with an MRT program and an active MRT user base: ID17 at the European Synchrotron Radiation Facility (ESRF), France, and the Australian Synchrotron’s Imaging and Medical Beamline (IMBL). The European program has been ongoing since the 1990s and has identified radioresistant brain tumours as a clinical target for MRT. Indeed, much of the radiobiological data available in the literature relates to MRT irradiation of healthy and tumour inoculated brains of mice and rats. The Australian program has a different focus, instead proposing to target naturally occurring osteosarcomas in domestic dogs. Despite the different directions of the two programs, both communities share a common goal: to begin human clinical trials within 5 years. The past 5 years have seen many critical developments in this direction: the emergence of protocols and techniques for accurate dosimetry in broadbeams and microbeams, treatment planning systems dedicated to keV photons, and beamline specific image guidance protocols. In a “make or break” attempt to prove the safety of MRT for human patients, the European MRT collaboration have proposed a long term study on both healthy and brain tumour bearing pigs, where MRT is delivered as a dose “boost” to conventional stereotactic radiotherapy. The first steps of this project – end-to-end quality assurance (dosimetry and treatment plan verification) on a phantom and a dry-run on a pig carcass – were recently performed. The results from these experiments will be presented, as well as a discussion of what the Australian MRT community can learn from this.
Speaker: Dr. Jayde Livingstone (Australian Synchrotron)
• 15:00
Treatment planning for synchrotron microbeam radiotherapy 15m
**Introduction** Synchrotron microbeam radiation therapy (MRT) is a novel radiotherapy modality with significant clinical potential. We have produced a simple dose calculation algorithm for MRT using the Eclipse Treatment Planning System (TPS), by Varian Medical Systems. **Method** The calculation engine in Eclipse was configured to directly evaluate ‘peak’ doses. Monte Carlo-simulated Peak-to-Valley Dose Ratios were used to obtain the ‘valley’ dose displayed in Eclipse. We compared dose profiles generated by Eclipse with Geant4 Monte Carlo simulations and measurements from the Imaging & Medical Beamline at The Australian Synchrotron. We also performed a plan comparison study using anonymised patient datasets, comparing kilovoltage MRT plans with clinical megavoltage treatment plans. **Results** The Eclipse TPS performed well in calculating ‘peak’ doses in a water phantom. Considering the simplicity of the algorithm, the ‘valley’ dose and field profiles were also produced with reasonable accuracy, albeit with some underestimation of the valley dose for larger field sizes. Compared to the clinical megavoltage treatment plans, MRT plans demonstrated adequate target coverage whilst meeting normal tissue dose constraints when target volumes were small and relatively superficial. As expected, planning goals for deep seated tumours and target regions distal to bone could not be met using MRT. **Conclusion** There are real advantages to using the familiar environment of Eclipse with a new radiotherapy paradigm such as MRT. Although, there are limitations to our MRT calculation engine in Eclipse and further work is required, the data generated in this work are overall encouraging and indicate that the potential for this calculation engine to be implemented in the future as part of a Phase 1 clinical trial.
Speaker: Mr. Liam Day (Royal Melbourne Institute of Technology)
• 13:30 15:15
Concurrent Session 4: Structural Biology II - Sponosred by DECTRIS NCSS Seminar Room

NCSS Seminar Room

• 13:30
Observing proteins at play: structural techniques to probe function 30m
We have used protein crystallography and small angle X-ray scattering to understand the way that enzymes respond to remote signals – a process known as allostery (from the Greek *allos* meaning “other” and *stereos* meaning “solid”). Allostery is critical to the control of metabolism, and although allostery has been known for many years, it is only more recently that the molecular networks that govern this communication in proteins have begun to be unravelled in detail. We have used a combination of structural, computational and biophysical approaches to examine the allosteric function of several enzymes that operate at important control points in key metabolic pathways. We have used crystallography and small angle X-ray scattering to demonstrate significant changes in structure and dynamics are part of the allosteric response. Our studies have revealed the details of the molecular events that are associated with the allosteric response and shed light on the evolution of allosteric properties by enzymes.
Speaker: Prof. Emily Parker (University of Canterbury)
• 14:00
UNRAVELLING THE STRUCTURAL AND MECHANISTIC DIVERSITY OF BACTERIAL AUTOTRANSPORTER VIRULENCE FACTORS 15m
Autotransporter proteins are the largest group of outer membrane and secreted virulence factors from important bacterial pathogens such as Salmonella enterica, Shigella flexneri, Neisseria meningitidis and pathogenic E. coli strains. They are important contributors to bacterial pathogenesis, functioning as toxins, adhesins and facilitators of biofilm formation. Their importance to human health has generated great interest. However, we are still struggling to understand their mechanisms of action. There are currently only 12 structures of autotransporters in the protein data bank. Our research centres on the AIDA-I-type autotransporters which are the largest family of autotransporters. We were the first to determine the structure and mechanism of action for one of these family members Antigen 43a from uropathogenic E. coli (UPEC)1. Our work showed how Antigen 43 causes aggregation and biofilm formation, which are important for UPEC colonisation and persistence within the urinary tract. Since this time we have been using the MX beamlines at the Australian Synchrotron to determine the crystal structures of two new autotransporters. Our findings have revealed a surprising structural diversity amongst the autotransporters, which has allowed us to elucidate their distinct mechanisms of action and roles in bacterial pathogenesis. Interestingly, the structures have also revealed how bacteria use post-translational modifications to change the virulence functions of their proteins. This research is also helping us to understand how we can target these autotransporters for therapeutic intervention. To this end we are again using X-ray crystallography to help aid us in the development of specific inhibitors of key autotransporters.
Speaker: Dr. Jason Paxman (La Trobe University)
• 14:15
Mirror, mirror in the vacuum tank; an MX2 optics upgrade 15m
The micro-crystallography beamline, MX2, depends on three mirror elements for conditioning and focussing the beam at the sample position. One of these, the Microfocussing Horizontally Focussing Mirror (MHFM) is showing signs of beam damage. A likely source of this damage is the high-voltage piezo bender bimorph system used to shape the mirror. This manifests as significant structure in the beam, as well as greatly reduced transmitted flux from one of the three substrates that coat the mirror surface (Pt, the other two are Si, and Rh). All three substrates, however, are showing signs of staining and distortion. Further damage to the Rh-stripe, or a failure of the bimorph, would render the beamline inoperable as a microfocus instrument. The planned upgrade will greatly mitigate this risk, simplify beam conditioning and setup, and bring beam steering closer to the sample postion. Additionally, these changes will allow for a smaller and hotter beam.
Speaker: Dr. Daniel Eriksson (Australian Synchrotron)
• 14:30
Structural basis of Plasmodium vivax specificity towards reticulocytes 15m
Understanding the process of invasion is essential for developing strategies to stop blood stage infection. An important feature of *Plasmodium* invasion is the host cell selectivity that the different species have for cells of the erythroid lineage. Indeed, *Plasmodium vivax* preferentially invades reticulocytes which are immature red blood cells. Several members of *P. vivax* Reticulocyte Binding Protein (PvRBP) family have been shown to bind specifically to reticulocytes. One of the major unanswered questions in *P. vivax* biology is the identity of the reticulocyte specific receptor required for invasion. We report the first crystal structures of the erythrocyte-binding domain from two members of the PvRBP family, PvRBP2a and PvRBP2b, which were solved at 2.12 and 1.71 angstrom resolution respectively. Both structures share a strikingly similar fold with PfRh5, an essential invasion ligand in *P. falciparum* and a leading vaccine candidate for blood stage infection. While PvRBP2a binds both mature and immature erythrocytes, PvRBP2b exhibits strong specificity towards reticulocytes. We have identified the reticulocyte-specific receptor for PvRBP2b. We characterized the ligand-receptor complex in solution using small angle X-ray scattering and analytical ultracentrifugation. We generated monoclonal antibodies toward PvRBP2b that inhibit the interaction with its receptor and solved crystal structure of reticulocyte-binding domain in complex with three different Fab fragments. This study provides the fundamental characterization of the structural features that govern *P. vivax* red blood cell binding as a framework for generating new therapeutics and answers the long standing question of the reticulocyte-specific receptor for *P. vivax* invasion.
Speaker: Dr. Jakub Gruszczyk (The Walter and Eliza Hall Institute)
• 14:45
Combating multidrug resistance. Structure of an endotoxin modifying enzyme 15m
Multiple drug resistance (MDR) in Gram-negative bacteria represents one of the most intractable problems facing modern medicine. Colistin and polymyxin are cationic antimicrobial peptide antibiotics which permeabilise the bacterial outer membrane and have been used to treat infections. Resistance to these antibiotics is conferred by the modification of the lipid A headgroups with phosphoethanolamine (PEA) moieties resulting in a reduced negative charge of the bacterial surface and exclusion of the drug. This modification is carried out by the enzyme, lipid A PEA transferase (LptA). Recently a mobile colistin resistance determinant, mcr-1, encoding an LptA homologue was identified in MDR Escherichia coli. We have determined the crystal structure of a full-length LptA from Neisseria sp. to 2.75Å resolution. The structure reveals a previously uncharacterized helical membrane domain and a periplasmic facing soluble domain. The domains are linked by a single helix that runs along the membrane surface interacting with the phospholipid head groups. Two helical insertions containing conserved charged residues lie between two transmembrane helices and are implicated in substrate binding. Intrinsic fluorescence, limited proteolysis and molecular dynamics studies suggest that the protein may sample different conformational states to enable the binding of two very different sized lipid substrates. These results provide novel insights into the mechanism of endotoxin modification and will aid a structure-guided rational drug design approach to treat multidrug resistant bacterial infections.
Speaker: Prof. Alice Vrielink (University of Western Australia)
• 15:00
High Data Rate MX at the Australian Synchrotron. 15m
The advent of the Eiger family of detectors has pushed the speed of MX experiments to new heights with SAD phasing datasets being collected in as little as 1 second. The Eiger16M can produce 10Tb of data per day at a bandwidth of 40Gb/s. These high data rates come with a range of benefits and challenges for synchrotron facilities. With an Eiger 16M detector scheduled for delivery in December 2016 the MX2 beamline needs to be ready to meet these challenges. The requirements for beam and crystal stability, robot speed, network bandwidth, fast processing and storage will be discussed and the Australian Synchrotron's plan to deal with these requirements. The likely improvements in data quality and collection speed will be significant, changing the way the MX2 beamline is used. Due to the high frame rate (133Hz full frame and 750Hz for 4M mode) significant high-frequency fluctuations in beam position and/or intensity can have an adverse effect on data quality. The measures being undertaken to characterise the current beam motion and upgrades to the MX2 optics (such as the MHFM mirror) will be discussed. From international experience beamlines upgrading from CCD to pixel-array detectors can experience issues where users are unfamiliar with the new detectors. As Eiger frames will look radically different to CCD images the "rule-of-eye" can no longer be used as a solid judge of crystal quality. Data representations from hundreds of summed frames may be required to produce a single CCD-equivalent image for visualisation. Tools for the graphical representation of Eiger data in a user-friendly manner are being developed. Finally, the planned collection modes and user automation will be presented. The Eiger16M detector can transform the capabilities of the MX2 beamline but requires a parallel transformation in the other beamline components so that it can deliver the maximum benefit to the user community.
• 13:30 15:15
Concurrent Session 4: Technique Development Oliphant Auditorium

Oliphant Auditorium

Convener: Dr. Martin de Jonge (Australian Synchrotron)
• 13:30
Micro Materials Characterisation (MMC) Beamline: Scope and Focus 30m
Crystalline phase determination, polycrystallinity, strain, grain orientation as well as defect structure, migration and organisation are fundamental to the understanding of materials’ properties. The MMC beamline is the only facility planned for the Australian Synchrotron that will enable these properties to be spatially resolved at the micron scale. We present the current design and capabilities of the MMC beamline. In particular we highlight its extensive potential application to both the scientific and to the industrial R&D communities and to the contributions that can be made to Australia's strategic scientific and research priorities. The MMC beamline has enormous potential to provide a highly sophisticated tool that brings together industry and research. The MMC beamline will be able to be used to address critical issues with respect to solar, high-temperature and nuclear energy materials, can enable novel studies of pollutants in the environment, can help understand geological processes, mining and mineral recovery and can even provide new information on biological materials. The reality is that the world is heterogeneous and that the micron scale is an important length scale where heterogeneities start to resolve themselves into homogeneous crystals and structures. Synchrotron X-ray microprobes have commonly used a monochromatic X-ray beam. When the crystallite size is smaller than the incident beam size, monochromatic diffraction measurements yield either complete or fragmented Debye-Scherrer diffraction rings. These rings can provide considerable information. However, monochromatic radiation has the important disadvantage that where the crystallite size is of the order of or larger than the beam size, few or no diffraction peaks may be measurable for a given sample and detector geometry, and hence vital information may be simply overlooked. To overcome this increasingly common circumstance a broad bandpass incident X-ray beam may be used. The MMC beamline's key capability will be the provision of both monochromatic and Laue microdiffraction (< 1 micron) with rapid interchange between the two. This will be coupled to subsidiary capabilities of X-ray fluorescence mapping and selected area XAS. The breadth of potential application of this facility, as well as its world-class capabilities, have already been acknowledged by its international Specialist Design Committee and its very significant potential user base.
Speaker: Prof. Andrea Gerson (Blue Minerals Consultancy)
• 14:00
First experiments with D-DIA apparatus on XAS 15m
The Macquarie University-Australian Synchrotron D-DIA apparatus is a large-volume solid-media apparatus for high pressure, high temperature in-situ x-ray experiments. The apparatus can subject a sample volume of up to 5 mm^3 to pressures to 6 GPa and temperatures to 1500 °C. During 2016/2 initial experiments were conducted on the XAS beamline. Uranium and Thorium L3-edge transmission XANES spectra were successfully collected from silicate liquid at ~2 GPa, 1350 °C. Further tests with the sample assembly under ambient conditions indicate the lowest energy edge accessible in the apparatus with the present sample assembly is Ge K (11.1 keV). XAS was run in mirrorless mode at 38 keV for a proof-of-concept falling-sphere viscometry experiment. Soda-lime glass was rapidly melted by heating from ~800 °C to ~1400 °C at ~2 GPa, and a falling platinum sphere was imaged with a CCD via YAG-mirror-lens setup. Prospects for future applications of the D-DIA apparatus at the Australian Synchrotron will be discussed.
Speaker: Dr. Jeremy Wykes (Macquarie University)
• 14:15
Coflow and Fast-SEC Improvements on the SAXS/WAXS Beamline 15m
Speakers: Dr. Nigel Kirby (Australian Synchrotron) , Dr. Tim Ryan (Australian Synchrotron)
• 14:30
The MX2 goniometer story: the old, the current and the new one 15m
Sample positioning and rotation on the X-ray beam are critical experimental parameters for a successfully experiment . This becomes exacerbated when handling small crystals on a micro-focus beam like the one provided by the MX2 beamline at the Australian Synchrotron. Here it is paramount that the centre of rotation is on the same location as the X-ray beam. For one hand, any procession, particularly if asymmetric, around the X-ray beam will have an effect on data quality. On another hand parameters like temperature have a huge effect in changing the centre of rotation over a period of time meaning that regular check of its alignment as well as good control of temperature on the beamline hutch is required over the course of an experiment. We present here the challenges presented with wear and tear of the old MX2 goniometer, the setup we had after deployment of an emergency repair and what we have now as the final solution after installing an XFEL like goniometer in September 2016
Speaker: Dr. David Aragao (Australian Synchrotron)
• 14:45
Optimising sample preparation for solids, pellets, liquids and solutions for Far-IR and IR analysis at the Australian Synchrotron 15m
This presentation gives an overview of the development and comparison of different sample preparation techniques for presenting samples to the Far-IR and IR beam line at the Australian Synchrotron. We have investigated using polyethylene (PE), polytetrafluoroethylene (PTFE), polyvinylacetate (PVA), paraffin, and mixtures, as matrixes for pellets. We have also trialled pressing pure compounds without an added matrix. Most recently we have investigated using specially constructed liquid cells for liquid samples and those compounds that can be in solution. Not surprisingly, there is not one 'solution' to all sample preparations and there are compromises to be made. Samples that do not bind into stable pellets as pure compounds need a matrix to support them and compounds that are strong absorbers may need matrix to dilute them. For solutions the choice of solvent is also critical (especially for compounds that are poorly soluble in convenient solvents) as there needs to be enough material to give a signal without being swamped by the signal form the solvent. Presenting results from those samples that produced good spectra from a range of applications - riboflavin (fluorescence of semen), ninhydrin (from fingerprint developing reagents) and bilirubin and biliverdin (from studying breakdown of blood and ageing of bruises) and those that didn't - this presentation draws conclusions about the process of optimising the preparation of varied samples to obtain the best results from your time at the Australian Synchrotron.
Speaker: Ms. Josie Nunn (Flinders University SA)
• 15:00
How to get the most from your XFM data: GeoPIXE analysis on MASSIVE 15m
Richly detailed high definition elemental images are routinely collected during experiments at the X-ray Fluorescence Microscopy (XFM) beamline [1]. In addition, complex 3D data sets may be collected - X-ray fluorescence tomography and/or XANES image stacks. For many experiments there can be up to ¼ TB of raw data to process from a 3 to 4 day visit. This presentation will describe the latest workflow now available to all AS users for GeoPIXE analysis [2,3] on MASSIVE. Users can take advantage of the powerful combination of GeoPIXE software and parallel computing on MASSIVE. An account is automatically created for new users and a dedicated project created on MASSIVE for each experiment. Users can continue data analysis with GeoPIXE in the same remote desktop environment they employed during their experiment and easily collaborate and share data amongst experiment participants. The local computing requirements to run a MASSIVE desktop are modest, a laptop is sufficient, although connection to a high definition display is useful. Continued investigation and reprocessing of elemental images (potentially with new two-pass multiphase method [4]) along with extraction of integrated spectra from regions of interest to verify rare and dilute elements can be accomplished quickly and efficiently. Users can now get the most from their rich data sets by continuing to deeply interrogate and explore their samples using GeoPIXE analysis on MASSIVE. [1] D. Paterson et al., AIP Conference Proceedings 1365, 219 (2011). [2] C. G. Ryan, Int. J. of Imaging Systems and Tech. 11, 219 (2000). [3] C. G. Ryan et al., J. of Physics: Conf. Series 499, 012002 (2014). [4] D. L. Howard et al., Australian Synchrotron User Meeting 2016.
Speaker: David Paterson (Australian Synchrotron)
• 15:15 16:15
Plenary 3: With the Synchrotron and Beyond the Synchrotron Towards the Structure of the TIR-domain Signallosome, Bostjan Kobe Oliphant Auditorium ()

Oliphant Auditorium

Convener: Prof. Alice Vrielink (University of Western Australia)
• 15:15
With the synchrotron and beyond the synchrotron towards the structure of the TIR-domain signallosome 50m
TIR (Toll/interleukin-1 receptor, resistance protein) domains are key components of innate immunity signaling pathways. They are found in animals, plants and bacteria, for example in TLRs (Toll-like receptors) and TLR adaptors in animals, NLRs (nucleotide binding, leucine-rich repeat receptors) in plants, and virulence factors interfering with immune responses in bacteria. While it has been well established that signaling depends on regulated self-association and homotypic association of TIR domains, every single TIR domain structure has revealed a different association mode [1]. In the search for common features, we have targeted a number of TIR domains from mammals, plants and bacteria to characterize structurally. We used the Australian Synchrotron to determine a number of TIR-domain crystal structures and study association using SAXS, including those from the human TLR adaptor proteins MAL [2] and SARM (unpublished), the bacterial protein TcpB from Brucella melitensis [3] and the plant immune proteins L6 from flax [4], RPS4 and RRS1 from Arabidopsis [5], SNC1 and RPP1 from Arabidopsis and MrRPV1 from grapevine (unpublished). These crystal structures have started revealing common trends in the TIR-domain association modes, in particular for bacterial and plant TIR domains. Furthermore, for the TLR adaptors MAL and MyD88, we have been able to reconstitute large assemblies and determine the structure for the former by cryo-electron microscopy (unpublished), while we are characterizing the structure of the latter by synchrotron and X-FEL-based serial crystallography. Jointly, these studies suggest a general mechanism of function of TIR domains, which involves "signalling by cooperative assembly formation (SCAF)" with prion-like features that is consistent with signaling in other innate immunity pathways. References [1] Ve et al, Structure and function of Toll/interleukin-1 receptor/resistance protein (TIR) domains, Apoptosis, 20 (2015), 250-61 [2] Valkov et al, “Crystal structure of TLR adaptor MAL/TIRAP reveals the molecular basis for signal transduction and disease protection”, Proc Natl Acad Sci USA, 108 (2011), 14879-14884 [3] Alaidarous et al, Mechanism of bacterial interference with TLR4 signaling by Brucella TIR-domain-containing protein TcpB, J Biol Chem, 289 (2014), 654-68 [4] Bernoux et al, Structural and functional analysis of a plant resistance protein TIR domain reveals interfaces for self-association, signaling and autoregulation, Cell Host Microbe, 9 (2011), 200-211 Williams et al, Structural basis for assembly and function of a heterodimeric plant immune receptor, Science 344 (2014), 299-303
Speaker: Prof. Bostjan Kobe (University of Queensland)
• 16:15 16:30
Awards and Closing remarks Oliphant Auditorium

Oliphant Auditorium

Convener: Kevin Jack (University of Queensland)
• 16:30 18:30
Radiotherapy Workshop: Should we MRT Treat Canines NCSS Seminar Room

NCSS Seminar Room

Convener: Daniel Hausermann (Australian Synchrotron)
• 16:30
Status of MRT research – What we have done and what is still to do 15m
Speaker: Prof. Peter Rogers (University of melbourne)
• 16:45
The case for large animal data 15m
Speaker: Dr. Jean-François Adam (Université Grenoble-Alpes &amp; Centre Hospitalier Universitaire Grenoble-Alpes)
• 17:00
Experience with radiotherapy treatment on dogs 15m
Speaker: Stewart Ryan (University of Melbourne)
• 17:15
Dog cancers - Why the interest for an MRT programme 15m
Speaker: Labuc Rob (Melbourne Veterinary Specialist Centre)
• 17:30
What would canine MRT data bring on our way to human MRT trials? 15m
Speaker: Wheeler Greg (Peter Mac)
• 17:45
Do we need late toxicity data before the first human clinical trial? 15m
Speaker: Senthi Sashendra (The Alfred Hospital)
• 18:00
Discussion 30m
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