Lighting the path to innovation Australian Synchrotron Initial Suite of Beamlines

Australian Synchrotron Proposed initial beamlines Crystallography & Diffraction 1High-throughput Protein Crystallography2-23 keV 2Protein Microcrystal & Small Molecule X-ray Diffraction keV 3Powder X-ray Diffraction4-60 keV 4Small and Wide Angle X-ray Scattering keV Spectroscopy 5X-ray Absorption Spectroscopy4-65 keV 6Soft X-ray Spectroscopy keV 7Vacuum Ultraviolet (VUV) eV 8Infrared Spectroscopy eV 9Microspectroscopy (submicron-XAS, XANES, & XRF)5-20 keV Imaging 10Imaging & Medical Therapy keV 11Microdiffraction and Fluorescence Probe (XRD & XRF mapping)4-37 keV Polarimetry 12Circular Dichroism2-10 eV Advanced Manufacturing 13Lithography2-25 keV About the facility

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? X-ray diffraction Beamline 1 – High throughput protein crystallography a dedicated facility for crystallography of large protein crystals, set up with robotic loading and centring, and for remote operation

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? X-ray diffraction Beamline 1 – High throughput protein crystallography Beamline 2 – Protein microcrystal and small molecule diffraction finely focussed x-ray beam for determining the crystal structure and electron density maps of weakly diffracting, hard–to-crystallise proteins, nucleic acids, and for small molecules

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? X-ray diffraction Beamline 1 – High throughput protein crystallography Beamline 2 – Protein microcrystal and small molecule diffraction Beamline 3 – Powder diffraction a general purpose facility for determining the crystal structures of powdered samples – useful for identifying and quality control of pharmaceuticals

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? X-ray diffraction Beamline 1 – High throughput protein crystallography Beamline 2 – Protein microcrystal and small molecule diffraction Beamline 3 – Powder diffraction Beamline 4 – Small and wide angle x-ray diffraction for measurement of long range order in complex molecules and materials – e.g. the shape and conformational structure of protein molecules

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Spectroscopy Beamline 6 – Hard x-ray absorption spectroscopy for measurement of short and medium range order, bond lengths, and the oxidation state of atoms from atomic number Z=20 upwards (calcium and above)

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Spectroscopy Beamline 5 – Hard x-ray absorption spectroscopy Beamline 6 – Soft x-ray absorption spectroscopy for measurement of short and medium range order, bond lengths, and the oxidation state of atoms below atomic number Z=20 (below calcium) also for surface studies

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Spectroscopy Beamline 5 – Hard x-ray absorption spectroscopy Beamline 6 – Soft x-ray absorption spectroscopy Beamline 7 – Ultra violet spectroscopy for determination of the electronic structure and surface characteristics of solids, soft matter and gas phase substances - could be valuable for the development of biosensors

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Spectroscopy Beamline 5 – Hard x-ray absorption spectroscopy Beamline 6 – Soft x-ray absorption spectroscopy Beamline 7 – Ultra violet spectroscopy Beamline 8 – Infra red spectroscopy for analysis of bond structures in complex molecules, biological materials, minerals and band structures in certain semiconductors for imaging the constituents of cells down to 5 microns resolution (conventional IR imaging is limited to 30 microns)

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Spectroscopy Beamline 5 – Hard x-ray absorption spectroscopy Beamline 6 – Soft x-ray absorption spectroscopy Beamline 7 – Ultra violet spectroscopy Beamline 8 – Infra red spectroscopy Beamline 9 – Microspectroscopy ultra fine focussed x-ray probe (less than 0.5 microns) that enables the imaging of the distribution of heavy elements in samples – important for development of metal-containing drugs and for following the take up of heavy metals into biological tissue

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Imaging Beamline 10 – Imaging and medical therapy a versatile beamline for research into high contrast imaging of objects from small animals through to engineering components. also for research into the physics and biophysics of cancer therapy techniques

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Imaging Beamline 10 – Imaging and medical therapy Beamline 11 – Microdiffraction and fluorescence probe designed particularly for the minerals exploration and minerals processing industry

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Imaging Beamline 10 – Imaging and medical therapy Beamline 11 – Microdiffraction and fluorescence probe Polarimetry Beamline 12 – Circular dichroism for determining the secondary structure of proteins and other biological molecules – extends conventional circular dichroism deeper into the UV region

Australian Synchrotron Proposed initial suite of beamlines What techniques will be possible? Imaging Beamline 10 – Imaging and medical therapy Beamline 11 – Microdiffraction and fluorescence probe Polarimetry Beamline 12 – Circular dichroism Micromachining Beamline 13 – Lithography beamline for manufacturing micro-devices with very high depth to width ratio and excellent surface finish – important for the development of advanced biosensors

Australian Synchrotron High-throughput Protein Crystallography

Australian Synchrotron High-throughput Protein Crystallography Energy range 2 keV to 23 keV Property accessible crystalline structure Measurements x-ray diffraction patterns at varying energy multiple wavelength anomalous dispersion (MAD) measurements Information protein (macromolecule) structure Synchrotron benefits energy tuning, signal to noise, beam focus Key contacts Jose Varghese, CSIRO Ribotoxin Laue pattern Moffat et al, BioCARS Neuraminidase: Colman & Varghese, CSIRO

Australian Synchrotron Protein Micro-crystal and Small Molecule X-ray Diffraction

Australian Synchrotron Protein Micro-crystal and Small Molecule X-ray Diffraction Energy range 5.5 keV to 20 keV Property accessible crystalline structure Measurements x-ray diffraction patterns at varying energy multiple anomalous dispersion (MAD) measurements Information structure of small crystals (proteins  inorganics) Synchrotron benefits energy tuning, signal to noise, beam focus Key contacts Jose Varghese, CSIRO Colin Raston, UWA bis-metalloporphyrin P. Turner, U. Sydney

Australian Synchrotron Powder Diffraction

Australian Synchrotron Powder Diffraction Energy range 4 keV to 60 keV Property accessible crystalline structure Measurements x-ray diffraction patterns Information phase analysis Synchrotron benefits signal to noise, resolution, timing (fast data acquisition) Key contacts Brendan Kennedy, Sydney; Ian Madsen, CSIRO

Australian Synchrotron SAXS/WAXS

Australian Synchrotron Energy range 5.5 keV to 20 keV Property accessible long range order (SAXS), short range order (WAXS) Measurements x-ray scattering patterns Information structure analysis, including longer scale than conventional XRD Synchrotron benefits signal to noise, resolution, small samples Key contacts Ian Gentle, U of Q; David Cookson, ASRP SAXS/WAXS

Australian Synchrotron X-ray Absorption Spectroscopy

Australian Synchrotron X-ray Absorption Spectroscopy Energy range 4 keV to 65 keV Elements accessible atomic number  20, calcium and heavier Measurements x-ray absorption spectra (transmission) x-ray fluorescence (emission) Information chemical composition, chemical state, local structure Synchrotron benefits unique method because of energy scanning and tuning, as well as intensity Key contacts Mark Ridgeway, ANU XANES spectra of Cr III (relatively benign) and Cr VI, a known carcinogen Amorphous GaAs EXAFS and Fourier transform

Australian Synchrotron Soft X-ray Spectroscopy

Australian Synchrotron Soft X-ray Spectroscopy Energy range 0.1 – 2.5 keV Elements accessible atomic number  3, lithium and heavier by XPS atomic number  4, beryllium and heavier by XAS Measurements x-ray photoelectron spectra x-ray absorption spectra Information surface analysis, including depth profiles Synchrotron benefits energy scanning, signal to noise, resolution Key contacts Alan Buckley, UNSW S 2p in FeS 2 (Nesbitt & Bancroft et al)

Australian Synchrotron Vacuum Ultraviolet (VUV)

Australian Synchrotron Vacuum Ultraviolet (VUV) Energy range 10 eV eV Property accessible electron density in valence band and low binding energy orbitals Measurements photoemission spectra Information fundamental information on electrical and magnetic properties of atoms, molecules and solids Synchrotron benefits energy range, intensity, polarisation (circular with variable polarisation undulator) Key contacts Robert Leckey, LaTrobe

Australian Synchrotron Infrared Spectroscopy

Australian Synchrotron Infrared Spectroscopy Energy range eV to 1 eV (10 cm -1 to 10,000 cm -1 ) Property accessible molecular vibrations Measurements vibrational spectra Information molecular structure, chemical analysis Synchrotron Benefits signal to noise, spatial resolution (down to the diffraction limit) Key contacts Dudley Creagh, Canberra; Don McNaughton, Monash

Australian Synchrotron Microspectroscopy

Australian Synchrotron Microspectroscopy Energy range 5 keV to 20 keV Elements accessible atomic number  14, silicon and heavier by XRF atomic number  24, chromium and heavier by XAS Measurements x-ray fluorescence (XRF), X-ray absorption spectra (XAS), X-ray diffraction (XRD) Information elemental analysis, chemical state, long range & short range structure Synchrotron Benefits energy scanning, spot size (100s of nm), intensity Key contacts David Cohen, ANSTO Pt spectrum located in a tumour cell Hambley et al, U Syd

Australian Synchrotron Imaging and Medical Therapy

Australian Synchrotron Imaging and Medical Therapy Energy range 10 keV to 120 keV Property accessible x-ray contrast and refraction Measurements x-ray images (contrast, phase contrast, diffraction enhanced) Information macroscopic structure Synchrotron Benefits intensity, partial coherence, energy range, collimation Key contacts Rob Lewis, Monash; Steve Wilkins, CSIRO Bird’s head, phase contrast image Lewis, Monash University

Australian Synchrotron Microdiffraction & Fluorescence Probe

Australian Synchrotron Microdiffraction & Fluorescence Probe Energy range 4 keV to 37 keV Elements accessible atomic number  14, silicon and heavier (lighter elements under vacuum) Measurements simultaneous Laue X-ray diffraction and X-ray fluorescence Information elemental composition, phase analysis Synchrotron benefits energy range, spot size (around a micron 2 ), intensity Key contacts Andrea Gerson, IWRI

Australian Synchrotron Circular Dichroism

Australian Synchrotron Circular Dichroism Energy range 2 eV to 10 eV Property accessible structural order Measurements absorption as varying energies for left and right circularly polarised light Information secondary structure of peptides and proteins Synchrotron benefits polarisation, energy range, intensity Key contacts Mibel Aguilar, Monash University

Australian Synchrotron Lithography

Australian Synchrotron Lithography Energy range 2 keV to 25 keV Synchrotron Benefits focus, intensity, energy range, collimation  high aspect ratio devices Key contacts Erol Harvey, Swinburne and Minifab Bio meets micro