Molecular Bond: EMSL's bimonthly newsletter

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August 2013

Allison A. Campbell, EMSL Director
Five years ago, EMSL's Recapitalization Plan identified the need for greater capabilities to determine multiprotein complexes, posttranslational modifications to proteins and catalytic mechanics of protein function as it related to the mission of DOE's Office of Biological and Environmental Research. Each of these would help us transition biology to a predictive science. We recognized this emerging era of biology would require different technologies. As a result, we invested in a new high-field EPR, or electron paramagnetic resonance, spectrometer to study electron and proton transfer reactions in biological systems. In this issue you'll read about how this instrument – and the expertise of its steward, Eric Walter – is advancing EMSL's biosystems design research. It's only one of two of its kind in the world. I encourage you to learn about the high-field EPR and consider how it could be used to advance your research as you design a user proposal for next year.

- Allison

EMSL's User Executive Committee elected Paul Tratnyek vice chair. He has been an EMSL user since 2000 and has served on EMSL's User Executive Committee since 2006.

It's another dimension of science – EMSL releases two new 3-D videos:

• Researchers exploring the feasibility of the geologic sequestration of supercritical carbon dioxide used EMSL's X-ray computed tomography, or XCT, to create 3-D images of a sandstone core sample

• Scientists in the biological or climate sciences can study the root structure of a live potted plant without removing it from the soil or destroying the sample by using the XCT to create a 3-D video.

The American Chemical Society has selected for the rank of Fellow EMSL Chief Technology Officer Dave Koppenaal and EMSL User Executive Committee member David Dixon, University of Alabama, for their "outstanding achievements in and contributions to science and the profession of chemistry."

Kiran Bhaskaran-Nair received EMSL's 2012 M.T. Thomas Award for Outstanding Postdoctoral Achievement at a ceremony July 31. He was recognized for his "insightful and creative contributions to the development of multireference coupled cluster methods."

The first place winner of the EMSL annual meeting student poster competition was Alyse Hawley, University of British Columbia, Vancouver; and second place when to Marco Keiluweit, Oregon State University. The poster session was held Aug. 6 at EMSL Integration 2013 - The Rhizosphere: Plants, Microbes and Their Interactions.

For the first three quarters of fiscal 2013, a total of 675 users benefitted from EMSL capabilities and expertise. This total includes 461 onsite and 214 remote users.

Bimonthly Summary
To learn about EMSL's achievements, visit our News Center.

Walter enjoys problem solving

Eric Walter is EMSL's electron paramagnetic resonance, or EPR, expert. EPR is used to study samples with unpaired electrons, such as in many metals, or free radicals. Walter uses this less well known instrument to study proteins and catalysts. EPR also can be employed to better understand certain microorganisms, such as fungi, and their potential in the production of biofuels and to investigate the bioremediation of metal contaminants. Read the full story.

Guenther joins EMSL

Alex Guenther, a renowned scientist in land ecosystem and atmospheric research, has joined the Pacific Northwest National Laboratory to lead research in the interactions between terrestrial systems and climate. He will also serve as the lead scientist for atmospheric aerosol science at EMSL. In this role Guenther will direct the science vision for how EMSL advances aerosol science aligned with the DOE Office of Biological and Environmental Research's mission. Read the full story [PNNL article].

Scheibe selected research fellow

EMSL has named Tim Scheibe a 2013 Wiley Research Fellow and interim associate director of the Molecular Science Computing Division. He is a scientist in the hydrology group at Pacific Northwest National Laboratory. As a research fellow, Scheibe will contribute to EMSL decision-making processes, including serving on advisory committees and participating in new capability proposals. He also will manage the nearly 50-member computing division and help grow the team as EMSL brings online the new Cascade supercomputer. Read more about his research fellowship.

Science highlights

Check out EMSL's Science Highlights. Here are some recent write-ups:

Sulfur cleans up – Conducting some of their research at EMSL, scientists offer a fundamental geochemical understanding of technetium sequestration and a potential new remediation strategy. Participants: Oregon Health & Science University, Stanford Synchrotron Radiation Lightsource and EMSL

Tunable transfer – Using EMSL resources, scientists have gained the first quantitative insights into electron transfer from minerals to microbes by studying that transfer in a nature-inspired, protein and iron-based 'tunable' nanoparticle system. Participants: PNNL and Advanced Light Source, Lawrence Berkeley National Laboratory.

Agents of change – Scientists used EMSL capabilities to analyze the molecular composition of atmospheric organic aerosols, and their findings may lead to more precise climate models. Participants: University of California, Berkeley; University of California, San Diego; EMSL; and PNNL.

If you have feedback – ideas, suggestions, questions – about EMSL's The Molecular Bond, please address those to EMSL Communications team at emslcom@pnnl.gov.

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August 2013
Five years ago, EMSL's Recapitalization Plan identified the need for greater capabilities to determine multiprotein complexes, posttranslational modifications to proteins and catalytic mechanics of protein function as it related to the mission of DOE's Office of Biological and Environmental Research. Each of these would help us transition biology to a predictive science. We recognized this emerging era of biology would require different technologies. As a result, we invested in a new high-field EPR, or electron paramagnetic resonance, spectrometer to study electron and proton transfer reactions in biological systems. In this issue you'll read about how this instrument – and the expertise of its steward, Eric Walter – is advancing EMSL's biosystems design research. It's only one of two of its kind in the world. I encourage you to learn about the high-field EPR and consider how it could be used to advance your research as you design a user proposal for next year. - Allison	EMSL's User Executive Committee elected Paul Tratnyek vice chair. He has been an EMSL user since 2000 and has served on EMSL's User Executive Committee since 2006. It's another dimension of science – EMSL releases two new 3-D videos: • Researchers exploring the feasibility of the geologic sequestration of supercritical carbon dioxide used EMSL's X-ray computed tomography, or XCT, to create 3-D images of a sandstone core sample • Scientists in the biological or climate sciences can study the root structure of a live potted plant without removing it from the soil or destroying the sample by using the XCT to create a 3-D video. The American Chemical Society has selected for the rank of Fellow EMSL Chief Technology Officer Dave Koppenaal and EMSL User Executive Committee member David Dixon, University of Alabama, for their "outstanding achievements in and contributions to science and the profession of chemistry." Kiran Bhaskaran-Nair received EMSL's 2012 M.T. Thomas Award for Outstanding Postdoctoral Achievement at a ceremony July 31. He was recognized for his "insightful and creative contributions to the development of multireference coupled cluster methods." The first place winner of the EMSL annual meeting student poster competition was Alyse Hawley, University of British Columbia, Vancouver; and second place when to Marco Keiluweit, Oregon State University. The poster session was held Aug. 6 at EMSL Integration 2013 - The Rhizosphere: Plants, Microbes and Their Interactions. For the first three quarters of fiscal 2013, a total of 675 users benefitted from EMSL capabilities and expertise. This total includes 461 onsite and 214 remote users. To learn about EMSL's achievements, visit our News Center.
Walter enjoys problem solving Eric Walter is EMSL's electron paramagnetic resonance, or EPR, expert. EPR is used to study samples with unpaired electrons, such as in many metals, or free radicals. Walter uses this less well known instrument to study proteins and catalysts. EPR also can be employed to better understand certain microorganisms, such as fungi, and their potential in the production of biofuels and to investigate the bioremediation of metal contaminants. Read the full story. Guenther joins EMSL Alex Guenther, a renowned scientist in land ecosystem and atmospheric research, has joined the Pacific Northwest National Laboratory to lead research in the interactions between terrestrial systems and climate. He will also serve as the lead scientist for atmospheric aerosol science at EMSL. In this role Guenther will direct the science vision for how EMSL advances aerosol science aligned with the DOE Office of Biological and Environmental Research's mission. Read the full story [PNNL article]. Scheibe selected research fellow EMSL has named Tim Scheibe a 2013 Wiley Research Fellow and interim associate director of the Molecular Science Computing Division. He is a scientist in the hydrology group at Pacific Northwest National Laboratory. As a research fellow, Scheibe will contribute to EMSL decision-making processes, including serving on advisory committees and participating in new capability proposals. He also will manage the nearly 50-member computing division and help grow the team as EMSL brings online the new Cascade supercomputer. Read more about his research fellowship. Science highlights Check out EMSL's Science Highlights. Here are some recent write-ups: Sulfur cleans up – Conducting some of their research at EMSL, scientists offer a fundamental geochemical understanding of technetium sequestration and a potential new remediation strategy. Participants: Oregon Health & Science University, Stanford Synchrotron Radiation Lightsource and EMSL Tunable transfer – Using EMSL resources, scientists have gained the first quantitative insights into electron transfer from minerals to microbes by studying that transfer in a nature-inspired, protein and iron-based 'tunable' nanoparticle system. Participants: PNNL and Advanced Light Source, Lawrence Berkeley National Laboratory. Agents of change – Scientists used EMSL capabilities to analyze the molecular composition of atmospheric organic aerosols, and their findings may lead to more precise climate models. Participants: University of California, Berkeley; University of California, San Diego; EMSL; and PNNL.
If you have feedback – ideas, suggestions, questions – about EMSL's The Molecular Bond, please address those to EMSL Communications team at emslcom@pnnl.gov.
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