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Projects

As a scientific user facility, EMSL provides expertise, instrumentation, and resources to 250 projects each year. Projects displayed below reflect information and abstracts that were published before April 30, 2024. To review current user projects, visit EMSL's Science Central.

  • Projects beginning at or after given date.
    Projects ending at or before given date.

43Ca NMR Spectroscopy of Ca2+ Dependent Proteins and models

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Paul Ellis
Project type
Large-Scale EMSL Research
We are exploring the application and utility of low temperature solid-state NMR methods to the observation of 43Ca in Ca2+ dependent proteins. Our first application is to the protein calbindin D9k …

Advances in Understanding Electron Transfer Kinetics at Environmental Interfaces

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Kevin Rosso
Project type
Large-Scale EMSL Research
This EMSL user proposal requests a continuation of EMSL access for a BER funded Environmental Molecular Sciences Institute (EMSI) project led by Dr. Rosso at PNNL. This project constitutes the PNNL…

Development of Time-Dependent Quantum Reaction Dynamics for Surface Reactions

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
We propose to develop multi-dimensional, state-of-the-art time-dependent quantum dynamics (TDQD) computational methods for catalytic surface reactions. Our aim is to obtain accurate initial-state…

Development of 1st principles dynamics with exact exchange and spin-orbit ZORA

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
1st principles methods of dynamical simulation will be developed that can treat the complex chemistry of actinide elements. In developing new solvers, emphasis will be placed on methods that will…

On Improving Current Colloid Filtration Theory Models

Lead Institution
University of California, Davis
Principal Investigator
Timothy Ginn
Project type
Large-Scale EMSL Research
This project uses trajectory simulations of colloidal particles in saturated porous media to obtain theoretical predictions of particle transport and deposition. The trajectory simulations provide a…

Experimental and Theoretical Studies of Reaction Pathways for the Breakdown of Chlorinated Hydrocarbon Molecules by Metal and Metal Oxide Nanoparticles(including PNNL Scope # 42184/44076, Baer/Amonette/Tratnyek Nano-Fe BES/EMSP project)

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
James Amonette
Project type
Large-Scale EMSL Research
Metal and metal-oxide nanoparticles have been shown to have high reactivity towards a variety of chemical species, including chlorinated hydrocarbons and reducible oxyanions that frequently…

Protein complexes altered by oxidative stress and determined by FTICR-MS

Lead Institution
University of Tennessee
Principal Investigator
Heather Smallwood
Project type
Large-Scale EMSL Research
To clarify the dynamics of radical mediated modifications, originating from reactive oxygen species (ROS) produced by macrophages, we analyzed modifications to calmodulin (CaM) using immunoblotting…

Nanoscale Characterization of Nanomaterial - Cell Interactions

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Galya Orr
Project type
Large-Scale EMSL Research
This proposal is a continuation of research pursued under EMSL User Proposal #17690. The extensive use of amorphous silica nanoparticles (NPs) in the industry, and the growing use of carbon nanotubes…

Heart Metabolomics during ventricular unloading

Lead Institution
Seattle Children's Research Institute
Principal Investigator
Michael Portman
Project type
Large-Scale EMSL Research
Extracorporeal membrane oxygenation (ECMO) remains the primary method of long term support after myocardial stunning after cardiac surgery in this age group. ECMO often provides a bridge to recovery…

Synthesis of Nanostructured Materials and Cluster-Assembled Materials

Lead Institution
Brown University
Principal Investigator
Lai-Sheng Wang
Project type
Large-Scale EMSL Research
This proposal is a continuation of research under EMSL User Proposal #21790. This program is focused on exploratory syntheses of anionic metal clusters based on our gas-phase studies. A long…

Cluster Model Studies of Condensed Phase Phenomena

Lead Institution
Brown University
Principal Investigator
Lai-Sheng Wang
Project type
Large-Scale EMSL Research
This proposal is a continuation of research under EMSL User Proposal #8592. This program is aimed at obtaining a microscopic understanding of solution chemistry and solvation of negatively charged…

Ultrafast Laser Interactions with Wide Bandgap Materials

Lead Institution
Washington State University
Principal Investigator
J. Dickinson
Project type
Large-Scale EMSL Research
Laser interactions with nominally transparent (wide bandgap) materials are playing increasingly important roles in several technologies and applications, including chemical analysis, semiconductor…

FRET-Based Molecular Dynamics Simulation of Membrane-Receptor Activation

Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Galya Orr
Project type
Large-Scale EMSL Research
This proposal is a continuation of research pursued under EMSL User Proposals #6494 and #6493. Membrane receptors are activated upon the binding of small ligand molecules to specific sites in their…