SCIENTIFIC STRATEGIC PLANNING Life, Environmental, and Soft Materials Workshops

1. SCIENTIFIC STRATEGIC PLANNINGLife, Environmental, and Soft Materials Workshops Lisa M. Miller BNL-NSLS EFAC Meeting May 5-7, 2008

2. Life, Environmental, and Soft Materials Research at NSLS Today FY07 NSLS USERS • Life Sciences (40%) • Environmental and Geo Sciences (12%) • Soft Materials and Biophysics (~5%)

3. Scientific Strategic Planning Workshops LIFE SCIENCES Date: January 15-16, 2008 Attendees: 72 Organizers: Lisa Miller, Bob Sweet, Mark Chance, Vivian Stojanoff, Marc Allaire, Lin Yang, Chris Jacobsen, John Sutherland EARTH & ENVIRONMENTAL SCIENCES Date: January 22-23, 2008 Attendees: 54 Organizers: Tony Lanzirotti, Jeff Fitts, Paul Northrup, Rich Reeder, Steve Sutton, SatishMyneni SOFT- & BIO-MATERIALS Date: February 11-12, 2008 Attendees: 33 Organizers: Elaine DiMasi, Ben Hsiao, Ben Ocko, Ron Pindak, Vivian Stojanoff, Lin Yang

4. SSP Workshop Goals, Deliverables, Agenda • Goals: • Short-term planning for the growth and expansion of current NSLS programs • For world-class science today • For the transition to NSLS-II • Discuss the vision of the scientific program for NSLS-II • What beamlines and facilities will be needed? • How will the impact on the user community during the transition be minimized? • Deliverable:A white paper for NSLS and NSLS-II planning • Agenda: • Preliminary plans for each research community • Lab space, ancillary facilities discussion • Breakout sessions • Synergy among groups

5. Life Sciences Workshop Outcomes “Biology Village” To promote synergy between life sciences users and explore interactions with other communities • 27 beamlines (20 FTBEs*) proposed by user community for NSLS-II • 9 MX, 3 SAXS/WAXS, 3 XRF sub-microprobe, 3 IR, 2 XAS, 2 STXM, 1 CD, 1 TXM, 1 footprinting, 1 CDI, 1 medical imaging • Adjacent Sectors and Laboratory-Office Space • Align life sciences beamlines on adjacent sectors for strong scientific interactions • Community would like to be concentrated in 2 LOBs, one shared with enviro, soft materials communities • Cryogenic sample prep, Sample manipulation, Microscope room, Cell culture, Crystallization, Spectroscopy room, Dishwasher, autoclaves, Cold rooms, hoods • Structural Biology & Imaging Research Center • Identify funding and construct additional laboratory-office space for life sciences staff and users *FTBE: full-time beamline equivalent

6. Life Sciences: Proposed NSLS-II Beamlines

7. The “Biology Village” Concept Coordinated Multi-Technique Research Alzheimer’s Disease www.ahaf.org

8. The “Biology Village” Concept Coordinated Multi-Technique Research Alzheimer’s Disease SAXS on isolate amyloid fibrils and tangles NanoCT of plaque structure in tissue IR imaging of amyloid protein structure in tissue XRF imaging of metal accumulation in plaques MX for structures of membrane-bound secretases Microdiffraction for amyloid models Diffraction-Enhanced Imaging of plaques in living subjects

9. Earth & Enviro Workshop Outcomes • Beamlines: • A straw man table was formulated that identified: • beamlines would be required at NSLS-II • technical capabilities are desired in these • the likely utilization for each would be from the community • beamlines likely be transitioned as opposed to “new” beamlines • community members were willing to potentially participate in BAT’s • Discussion of LOI’s for beamlines the community felt they needed to lead (i.e. hard and mid x-ray microprobes, high pressure and energy beamlines). • For beamlines the community felt they would heavily utilize, but not necessarily lead (EXAFS), potential BAT members were discussed. • Laboratory requirements: • Extensive discussion: identifying needs for office space, setup labs, an optical microscopy facility, and facilities to support limited wet chemical, microbiology, and actinide work • It was also clear that at NSLS-II there will be a synergy among earth and environmental science groups and other groups (e.g. life sciences, energy sciences)

10. E&E Sciences: Proposed NSLS-II Beamlines

11. SBM: Workshop Outcomes • The workshop established the following suite of primary and shared beamlines and emphasized a strong synergy with life and materials sciences communities: • X9-style beamline with state of the art microfocus SAXS/WAXS capabilities and limited additional capability for GISAXS, GIXD, and reflectivity. Undulator source. (a desire for better optimized simultaneous reflectivity/GISAXS has been voiced) • Liquid surface spectrometer with tilt stage and large sample stage. Undulator source. • SAXS/WAXS station detecting 360° scattered cone, with room for arbitrary sample setups for in-situ studies of all kinds. 3PW on bend. • Dedicated solution SAXS, to share with life sciences. 3PW source. • Buried interface / liquid-liquid interface spectrometer with fixed horizontal sample position. 70 keV x-rays needed. Can be side station. Share SCW, perhaps with DEI? • Soft X-ray (200-1500 eV) in-vacuum scattering spectrometer on EPU source for polarization control. A growing community to share with hard condensed matter (separate sample chambers), supports resonant x-ray scattering/diffraction/reflectivity and resonant xpcs. • Soft x-ray (200-5000 eV) in-vacuum scattering spectrometer and STXM on a soft bend, shared with hard CMP, complementary to the proposed NIST spectroscopy beamline. • High reciprocal space access, high resolution diffractometer, to share with surface science across all other fields. Preferred source and arranged marriages TBD.

12. SBM: Proposed Beamlines for NSLS-II

13. Examples of Beamlines of Shared Interest

14. SEM - Bacteria transform Fe-sulfide mineral surface (Bostick et al.) Cr XANES spectroscopy XRF - Element composition of a single microbe 1 mm Surface precipitate Oxidation rim around cell Interfaces Between Minerals and Microbes • There is great interest in better understanding biofilm formation in natural geo-microbiological systems. • Biofilms are important components of foodchains in rivers and streams and are grazed by the aquatic invertebrates upon which many fish feed. XRF: image metal distribution and uptake XAS: measure redox state and speciation of bacterially deposited metals XRD: characterize bacterial precipitates SAXS: determine metal binding at mineral surface STXM: organic-metal bonding Kemner et. al. Science 304, 686 (2004)

15. Biomineralization as a Route to Advanced Materials • Biomineralization is the process by which organisms form hierarchically structured organic-mineral composites with specific functions. Examples include bone (collagen protein mineralized with calcium phosphate), shells (polysaccharide layers with calcium carbonate), and many others. • The mineralization is controlled by proteins and leads to strong materials combining the properties of the organic and mineral components. Adapting such processes for materials synthesis can lead to new functional coatings, structural materials, and more. • Important questions for both biological and biomimetic processes: • What is the role of the protein in solution and in the biomineral? • What structural alignments exist between organic and mineral? • What dynamics and transient chemical compositions are important during mineralization? • Can synthetic organic templates and scaffolds be used to control mineralization?

16. Biomineralization Science Today at the NSLS X15: diffraction enhanced imaging X17B1: high-energy diffraction, kinetics of CaCO3 scale formation X18A: diffraction, CaCO3 precipitation X20A: microbeam diffraction, abalone shell texture X14A: surface diffraction, minerals at organic templates. Diffraction, microstructure and nanoindentation of bone. Powder diffraction, microbial synthesis of magnetites X20A: microbeam diffraction, abalone nacre interface X19A: XAFS, fish otolith X22A, X22B: reflectivity and diffraction, mineralization of films X26A: microbeam, mollusk shell organics X12C: protein crystallography, ferritin structure and iron release X27C: SAXS/WAXS collagen/mineral structure U10B: Infrared microspectroscopy, bone/tissue imaging X7A: pair distribution function, biosilica X6B: powder diffraction, oyster shell peptide assays CaCO3 X1A1: soft x-ray microspectroscopy, organic matrix of diatoms

17. Impact of Life, Soft-matter and Env. Sci. NSLS-II BL Suites 288.2 eV MX and solution SAXS to determine protein structure and conformation – osteocalcin structure and Ca binding is an example Simultaneous SAXS/WAXS with submicron beam to probe structure of heterogeneous composite structures – bone for example STXM and IR microspectroscopy can probe submicron protein fiber networks and determine where cations have been deposited Liquid and solid surface scattering experiments address structure and dynamics of the organic-mineral interface during reactions EXAFS is sensitive to structural differences between biogenic and inorganic amorphous minerals such as calcium carbonate hydrates Resonant soft x-ray scattering could probe new details of organic alignment in biomimetic materials – still unexplored

18. Letter of Interest for NSLS-II • Macromolecular Crystallography (MX) • Championed by Bob Sweet (BNL-Biology) • 14 BAT members from the MX community • Proposal: 5 MX beamlines: 2 undulators, 3 three-pole wigglers (phase I); 2 additional MX beamlines: canted with Phase I undulators (phase II) • Sub-micron Research for Earth, Environmental and Life Sciences (SREEL) • Championed by Tony Lanzirotti (GSE-CARS) • 11 BAT members from life and environmental sciences communities • Proposal: A pair of focused x-ray fluorescence sub-microprobes utilizing canted undulator sources in a single sector • High Pressure High Energy X-Ray beamline (HiPHEX) • Championed by Don Weidner (Stony Brook University) • 6 BAT members from the high pressure community • Proposal: Six Tesla superconducting wiggler with four experimental endstations. Two of the endstations will be for the Diamond Anvil Cell (DAC) or other small high-pressure cell, and two will be for the Large Volume Press (LVP) research. • Nanoscale Imaging of Chemistry and Electromagnetics with Soft x-rays Team (NICEST) • Championed by Chris Jacobsen (Stony Brook University) • 9 BAT members from the materials, environmental, and life sciences communities • Proposal: A scanning soft x-ray microscopy beamline using a EPU45 undulator, and a beam switching mirror to allow alternating operation of two cryo-capable microscopes over the energy range 280-3500 eV.