Projects

Understanding field-dependent quadrupolar splitting of 131Xe for applications to surface/material studies

Lead Institution

Colorado State University

Principal Investigator

Thomas Meersmann

Project type

Large-Scale EMSL Research

We propose to study the quadrupolar splitting of 131Xe in the gas phase where a high magnetic field will distort the large electron cloud of 131Xe, thus creating an electric field gradient that will…

Kiln Phosphoric Acid (KPA) Process

Lead Institution

JDC, Inc

Principal Investigator

Joseph Megy

Project type

Large-Scale EMSL Research

JDC, Inc. submitted a successful US Dept. of Agriculture phase I proposal (SBIR-2003-0022) to conduct a basic chemistry and engineering program to forward the KPA process, and carried out the work…

Proteomic Analysis of Differential Growth in Desulfovibrio spp. for a Systems Biology Level Investigation.

Lead Institution

University of Missouri - Columbia

Principal Investigator

Judy Wall

Project type

Large-Scale EMSL Research

Sulfate-reducing bacteria makeup a substantial portion of subsurface microbial communities in general and at DOE contaminated sites in particular. They are capable of reducing, and thus immobilizing,…

Structural analysis of ion-beam-induced amorphous SiC by advanced electron microscopy

Lead Institution

Osaka University

Principal Investigator

Manabu Ishimaru

Project type

Large-Scale EMSL Research

Silicon carbide (SiC) and its composites have been proposed for structural components in future nuclear fusion reactors, because of their high temperature strength, pseudo-ductile fracture behavior,…

An NMR study of the complex formed by viral protein vCCI and human chemokine eotaxin

Lead Institution

University of California, Merced

Principal Investigator

Patricia LiWang

Project type

Large-Scale EMSL Research

Chemokines are essential components of the immune system, causing activation and chemotaxis of leukocytes to sites of infection and inflammation. While the structures of many chemokines are known,…

NON-DESTRUCTIVE EVALUATION OF DAMAGED ANCIENT SCROLLS USING NMR AND PIXE SCANNING TO SEPARATE TEXT FROM THE SCROLL BACKGROUND COMBINED WITH 3D VIRTUAL UNROLLING

Lead Institution

Columbia Basin Imaging

Principal Investigator

Edward Iuliano

Project type

Large-Scale EMSL Research

In 79 A.D. Mt. Vesius in Italy erupted with the resulting pyroclastic flow destroying the nearby cities of Pompeii and Herculaneum. Preserved under 75 feet of ash, a seaside villa owned by Julius…

Development of Single Molecule Force Microscopy Capability to Examine the Moleuclar Mechanism of Lignocellulosic Material Degradation

Lead Institution

The Ohio State University

Principal Investigator

Brian Lower

Project type

Large-Scale EMSL Research

The objective of this proposal is to develop a novel capability based on scanning probe microscopy to examine the enzyme-catalyzed hydrolysis of insoluble lignocellulosic material at the molecular…

Heterogeneous Photochemistry of Organic-Coated Mineral Dust Aerosol

Lead Institution

University of Iowa

Principal Investigator

Vicki Grassian

Project type

Large-Scale EMSL Research

The proposed research will apply state-of-the-art mass spectrometric approaches developed for large complex molecules to interrogate chemical composition of Humic Like Substanses. Specifically, we…

First principles adaptive kinetic Monte Carlo calculations of catalytic reactions at supported nanoparticles

Lead Institution

University of Texas at Austin

Principal Investigator

Graeme Henkelman

Project type

Large-Scale EMSL Research

The goal of this project is to use density functional theory calculations to discover the mechanisms and rates of catalytic reactions on oxide supported metal surfaces and nanoparticles. The focus…

Exploring the mechanisms and kinetics of small peptides towards the search for the global minimum through molecular dynamics simulations

Lead Institution

Technische Universität München

Principal Investigator

Edward Schlag

Project type

Large-Scale EMSL Research

Protein folding is one of the most important and unresolved problems in life science. Given the high complexity of the proteins potential energy surface, it is quite amazing, how nature succeeds to…

Kinetic Study of Heterogeneous Reaction of Soot with Reactive Oxidants

Lead Institution

Stanford University

Principal Investigator

Hai Wang

Project type

Large-Scale EMSL Research

Heterogeneous reactions occurring between aerosol particles and reactive gaseous species in the atmosphere have significant impacts on atmospheric composition and chemistry, global radiative forcing,…

Surface Selective Studies of Olivine Dissolution by 1H-29Si CP and 25Mg MQMAS NMR

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Karl Mueller

Project type

Large-Scale EMSL Research

Mineral trapping is a proposed mechanism for sequestering atmospheric carbon dioxide, allowing permanent confinement of this greenhouse gas. However, the sequestration process requires readily…

Investigation of the metal binding octarepeat region from the human prion using nanoscale computer simulations

Lead Institution

Industrial Summit Technology

Principal Investigator

Eric Yezdimer

Project type

Large-Scale EMSL Research

Several debilitating neurodegenerative diseases, including mad cow and Creutzfeldt-Jakob diseases, are characterized by the production of a misfolded conformation of an endogenous cellular form of…

Ab Initio Studies on Voltage Gating of Ion Channels

Lead Institution

City College of New York

Principal Investigator

Michael Green

Project type

Large-Scale EMSL Research

Abstract: The ab initio and DFT computations proposed here will clarify the mechanism of ion channel voltage gating. Ion channels are proteins in cell membranes that allow passage of K+, Na+, or Ca2+…

Glycolipid Structure, Dynamics and Recognition in a Membrane Environment

Lead Institution

University of Georgia

Principal Investigator

Robert Woods

Project type

Large-Scale EMSL Research

Eukaryotic cells depend on external surface markers, such as glycolipid molecules, to recognize and bind various other molecules as part of normal growth and maturation. As glycolipid molecules are…

Development of Novel Electrolyte and Electrode Materials for a New Generation of Low-Temperature SOFCs Using First-Principles Atomistic Thermodynamics

Lead Institution

Georgia Institute of Technology

Principal Investigator

Meilin Liu

Project type

Large-Scale EMSL Research

The objective of the proposed study is to gain a fundamental understanding of ion-electrode and fuel-electrode/electrolyte interactions in solid oxide fuel cells at low temperatures. First, the…

Strontium in Inorganic Materials Studied with High-Field Solid-State NMR Spectroscopy

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Karl Mueller

Project type

Large-Scale EMSL Research

During prior research at PNNL, we found that DFS-QCPMG NMR on the 21.14 T spectrometer provides significant sensitivity enhancement for 87Sr, permitting studies of strontium bound in anhydrous…

Contribution of Biosorption Processes to the Sustained Removal of Uranium from Groundwater in the Absence of Added Electron Donor

Lead Institution

University of Massachusetts Amherst

Principal Investigator

Lucie N'guessan

Project type

Large-Scale EMSL Research

An unexpected phenomenon occurred in the ongoing field studies at the Environmental Remediation Sciences Program study site in Rifle, CO. Long-term removal of uranium from the groundwater following…

Adhesion of Polymer Spheres to Modified Natural Fibers

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Holbery

Project type

Large-Scale EMSL Research

The technical motivation of the research is to advance current capabilities in natural fiber surface chemistry to develop modification processes that simultaneously displace water within the fiber…

Reduction of U6+ by magnetite and the rate of electron transfer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Frances Skomurski

Project type

Large-Scale EMSL Research

The reductive adsorption of uranium(VI) by ferrous iron in magnetite (Fe3O4) is an important process for reducing the mobility of contaminants in groundwater and for sequestering radionuclides in the…