Projects

Molecular simulation of microbial membrane proteins and protein-DNA complexes

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

T. Straatsma

Project type

Large-Scale EMSL Research

Two biochemical systems that are crucial for the integrity of microbial cells in complex environments are studied using molecular dynamics simulations. The first system is the homologous…

Microstructures and Their Stability of Ion-implanted Energy and Storage Materials

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Weilin Jiang

Project type

Large-Scale EMSL Research

Two parallel studies, respectively funded by Office of Basic Energy Sciences and Office of Nuclear Energy, U.S. Department of Energy, will be performed under this user proposal. The objectives of the…

Dynamics of Mineral Precipitation Reaction Fronts In Porous Media

Lead Institution

Idaho National Laboratory

Principal Investigator

George Redden

Project type

Large-Scale EMSL Research

Two projects at INL will be significantly enhanced through access to EMSL facilities. Idaho National Laboratory (INL) Scientific Focus Area (SFA), sponsored by DOE's Subsurface Biogeochemistry…

Development of Ion-Bombardment Surface Treatments for Suppression of Secondary Electron Emission in Accelerator Vacuum Chambers and Other Structures

Lead Institution

Cornell University

Principal Investigator

Mark Palmer

Project type

Large-Scale EMSL Research

Particle accelerators have become an increasingly essential tool for basic and applied research. Charged particle beams in accelerators can be adversely affected by the build-up of clouds of…

Dirigent Protein Structure and Mechanism

Lead Institution

Washington State University

Principal Investigator

Norman Lewis

Project type

Large-Scale EMSL Research

The biochemistry of vascular plants has evolved in such a way as to rely extensively upon unique phenoxy radical coupling reactions thereby generating substances for structural support, for formation…

Understanding microbial dynamics in a biostimulated aquifer using combined Omics approaches

Lead Institution

University of California, Berkeley

Principal Investigator

Jillian Banfield

Project type

Large-Scale EMSL Research

At the Rifle Integrated Field Research Challenge (IFRC) site in Colorado, carbon amendments to the subsurface are used to stimulate growth of the indigenous microbial community. The microbial…

Combined Experimental and Theoretical Investigations of Nanoscale Structure-Activity Relationships for Fuel Cell Applications

Lead Institution

National Institute of Standards and Technology

Principal Investigator

Thomas Allison

Project type

Large-Scale EMSL Research

The proposed work will advance the understanding of metallic nanoparticle catalysts through direct comparison of experimental data and the results of quantum chemistry calculations. This will be…

Nanolayered, self-healing radiation resistant materials

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Henager

Project type

Large-Scale EMSL Research

Recent discovery and research indicate that materials can be hardened against radiation damage by building nanolayered structures with an optimized layer thickness to increase point defect…

Investigating the Effects of Geologic CO2 Sequestration on Microbial Physiology, Metabolism and Functionality.

Lead Institution

Colorado State University

Principal Investigator

Michael Wilkins

Project type

Large-Scale EMSL Research

The injection of greenhouse gases into deep geologic formations offers a promising strategy for reducing emissions into the atmosphere that contribute to global warming. The injection of CO2 as a…

Computational Studies of "Covalent Hydration" Reactions Involving Non-innocent 2-2'-bipyridine Ligands Within Ru Water Oxidation Catalysts

Lead Institution

Washington State University

Principal Investigator

Aurora Clark

Project type

Large-Scale EMSL Research

The notion that bipyridine ligands in catalysts such as [Ru(bpy)3]3+ and the "blue dimer" [(bpy)2Ru(OH2)]2O4+ might participate in water oxidation through formation of OH-substituted…

Integrating intact protein proteomics with ChIP-Seq for identification and functional characterization of epigenetic histone modifications

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

David Stenoien

Project type

Large-Scale EMSL Research

Biological systems are exceedingly more complex than defined by the genome due to differential protein expression and degradation, altered mRNA splicing, and the presence of multiple post…

In-Situ Pore-Scale Measurement of Multi-Fluid Distributions, Configurations, and Mobilization in Multiphase Porous Media Systems

Lead Institution

University of Arizona

Principal Investigator

Mark Brusseau

Project type

Large-Scale EMSL Research

Multi-fluid flow and contaminant fate and transport in the environment are controlled at a fundamental level by pore-scale properties such as immiscible-fluid distribution and morphology. Though…

Fe oxide and organic carbon interactions: implications for global carbon sequestration

Lead Institution

Colorado State University

Principal Investigator

Thomas Borch

Project type

Large-Scale EMSL Research

Iron (Fe) minerals can have large specific surface areas and reactive functional groups, which make them strong sorbents for soil nutrients, contaminants, and organic matter (OM), therefore,…

Solid State NMR Characterization of SOC in a Subalpine Forest Wetland to Determine Mobility

Lead Institution

Colorado State University

Principal Investigator

Thomas Borch

Project type

Large-Scale EMSL Research

The influence of wetland soils on the global carbon cycle is greatly underestimated. As hydrological regimes are predicted to change with a warming global environment, understanding the impact of…

Oxygen Reduction Reaction and Defect Chemistry of LaFeO3 (010) Surfaces

Lead Institution

University of Florida

Principal Investigator

Susan Sinnott

Project type

Large-Scale EMSL Research

LaFeO3 is the base material of La(1-x)SrxCoyFe(1-y)O3, which is a potential candidate for solid oxide fuel cell cathode. The proposed work aims to investigate the oxygen reduction reaction (ORR) on…

Quantifying the Reactive Surface Area of Environmental Materials

Lead Institution

University of California, Merced

Principal Investigator

Peggy O'Day

Project type

Large-Scale EMSL Research

A large number of natural and anthropogenic processes in our environment are dominated by chemical reactions at the interface between solid and aqueous phases. These reactions include the adsorption…

Molecular-Scale Assessment of Technetium and Iodine Phase Chemistry in Fluidized Bed Steam Reformer Waste Form

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Amonette

Project type

Large-Scale EMSL Research

Technetium (99Tc) and radioactive iodine (129I) are long-lived fission products found in nuclear waste. Their abundance coupled with their long half-lives and aqueous mobility, make them the two…

Structure and Function of Macromolecular Complexes by Multidimensional High-Field Magic-Angle Spinning NMR

Lead Institution

University of Illinois at Urbana-Champaign

Principal Investigator

Chad Rienstra

Project type

Large-Scale EMSL Research

We aim to explore the limits of performance for high-field (900 MHz) magic-angle spinning NMR studies of non-crystalline solid proteins, in order to solve high-resolution structures of macromolecular…

Quantify cellular and sub-cellular nanoparticle dose for developing predictive models to support accurate dose-response assessments

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Justin Teeguarden

Project type

Large-Scale EMSL Research

Nanomaterials represent a new class of materials with unique physical and chemical properties with the now widely acknowledged potential to enable new technological advancements in multiple…

NMR-based metabolomics of the enteropathogens Salmonella and Yersinia

Lead Institution

Washington State University Tri-Cities

Principal Investigator

Kathleen McAteer

Project type

Large-Scale EMSL Research

The goal of this research is to analyze and reconstruct intercellular and intracellular networks in Salmonella and Yersinia using multiple types of -omics data. Although we hope to gain a more…