DOE Genomics:GTL Roadmap

1. DOE Genomics:GTL Roadmap BERAC Advisory Committee Meeting April 30, 2004 John Houghton John.Houghton@science.doe.gov

2. Energy Bill (not passed) Requires Roadmap • (c) PLAN • (1) DEVELOPMENT OF PLAN.—Not later than 1 year after the date of enactment of this Act, the Secretary shall prepare and transmit to Congress a research plan describing how the program authorized pursuant to this section will be undertaken to accomplish the program goals established in subsection (b). • (2) REVIEW OF PLAN.—The Secretary shall contract with the National Academy of Sciences to review the research plan developed under this sub-section. The Secretary shall transmit the review to Congress not later than 18 months after transmittal of the research plan under paragraph (1), along with the Secretary’s response to the recommendations contained in the review. • NSF recently advised to make more use of roadmaps for facilities

3. Roadmap Outline • Executive Summary: • Introduction; • *Vision: Frazier • Science and the Research Plan: • Facilities: • Computation: • *Environmental Remediation: Fryberger, Bolton, Hochella • *Energy: Houghton, Davison, Siebert • *Terrestrial sequestration and climate science: Amthor, Rogers • *Ocean sequestration and climate science: Drell, Armbrust • Ancillary Benefits: basic science, unforeseen events, etc. • ELSI: • Governance: • * breakout session attached to GTL meeting March 3,4

4. March 3 Template for Functional Roadmap – In sequence 1. Problem Statement: The problem that exists and the solution that is sought. 2.Vision for 20XX: 3. Mission End Points And Requirements 5. Major Milestones in Science and Capabilities 4. Today’s State of The Art in Knowledge And Capabilities • ………. • ……… • ……. • ….. • … • … • . • ………. • ……… • ……. • ….. • … • … • . • ………. • ……… • ……. • ….. • … • … • . • ………. • ……… • ……. • ….. • … • … • .

5. March 3 Template for Functional Roadmap – In sequence 1. Problem Statement: The problem that exists and the solution that is sought. 2.Vision for 20XX: 3. Mission End Points And Requirements 5. Major Milestones in Science and Capabilities 4. Today’s State of The Art in Knowledge And Capabilities • ………. • ……… • ……. • ….. • … • … • . • ………. • ……… • ……. • ….. • … • … • . • ………. • ……… • ……. • ….. • … • … • . • ………. • ……… • ……. • ….. • … • … • . T T T T T T T T T T T T T T T T C C C C C C C C C C C C March 4: Delineate Technologies and Computing

6. PHOTOSYNTHETIC PATHWAYS(light reactions) Sun CO2 starch ADP + P ATP Chl antenna H+ Chl antenna H2 H2ase OUTSIDE Fd H+ PS II e- e- MEMBRANE PQ-pool PS I ANTENNA INSIDE O2 2H2O H+ H+

7. BASIC Biotic and Soil Carbon Abiotic Management Stress Soil Productivity APPLIED Improved Growth Assessment Feedstock Methods Characteristics BASIC Biomass Conversion High- Sensors and Membranes Bio and Electro Temperature Controls and Thin Films Catalysts Materials Plant Disassembly Photo Thermal Chemical Biological Conversion Conversion Conversion Conversion APPLIED ORNL WSC24335 Carbon Fixation Basic Plant Research and Sequestration Genomics and Gene Expression Agriculture Land Forest Land COFixation 2 Wetlands Degraded Lands Nutrient Cell Wall Photosynthetic Use Assembly Efficiency Efficiency Water Bioproducts and Carbon Cycling Management Biopolymers and Plastics Food, Feed, and Fiber Specialty Products Bioenergy and Carbon Cycling Liquid Fuels Biogas Biopower Biohydrogen

8. Selected Clean Energy Capabilities • Protein production • Improved heterologous expression. • Suite of heterologous expession hosts (i.e., control the redox state, codon usage, small molecule partners, and recombinant production of metal-containing proteins). • Assays • Measure target metabolite in situ (# per cell). • Design assays to match cellular milieu. • Activity-based assays. • Rational design of molecular machines • Survey diversity of hydrogenases or glycosyl hydrolyses. • Full characterization of partners, energetics, structures, PTMs, etc. • Computation tools for rational design/recombination.

9. Selected Clean Energy Technology Requirements Imaging Needs: • Single Molecule Sensitivity • Molecular to >cm scale, 3-D resolution • High sensitivity and spatial resolution MR including phosphorus and 13C • X-Ray and Electron based microscopies • High sensitivity optical with enhanced spatial resolution • Imaging of opaque samples • The ability to make multiple assays simultaneously • Combined scanning probe (AFM, STM, nano-sensor) and optical imaging • Simultaneous use of multiple optical probes • Two/Three Photon, CARS, High-Speed, SERS, FRET, FLASH, etc. • Simultaneous MR/Confocal and Scanning-MS/Confocal • Real-time, 3-D measures of time and spatial distributions • Redox potential, protein & metabolite concentrations, lipids, energetic species, cofactors, etc. • Molecular probes • Highly sensitive, multiple analytes, functionally sensitive, inert, and accessible to the cell interior. • Affordable and accessible Tools • User facilities should foster the development and export of easily usable versions of new technologies.

10. Products of Technology Deep Dive Specifications Workshop • Science Driven Capabilities specifications • Analysis of technologies specifications related to identified capabilities – identifying strengths, weaknesses, and gaps • Roadmaps for development of technologies to required performance • Analysis of computing needs of science, capabilities, and technologies • Roadmaps for computing environment development • Analysis of natural groupings or suites of technologies which might drive facilities specifications.