Environmental Molecular Sciences Laboratory

A DOE Office of Science User Facility

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User Projects

The following is a list of projects that have been active over the past three years.
For a comprehensive list of projects, see All Projects. You can also search for released data.
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Simone Raugei
We propose to use EMSL supercomputing resources to computationally design and predict new catalysts for energy storage reactions, as well as model the interface between electrodes and catalyst. This work is part of the DOE-funded Center for...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Vijayakumar Murugesan
The detailed investigation of advanced battery electrolyte solution structure and interfacial interaction is critical to the ongoing development of both conventional and emerging energy storage technologies. Fundamental studies inform the design of...
Lead Institution: Boston Children's Hospital
Principal Investigator: Hao Wu
The inflammatory response provides an absolutely essential host defense mechanism that, if perturbed, can itself cause a large number of human diseases. Collectively, innate immune responses integrate a number of genome-encoded sensor proteins to...
Lead Institution: University of Texas Southwestern Medical Center
Principal Investigator: Yuh Chook
Core histones organize DNA in the nucleus. Histones are synthesized in the cytoplasm and are be transported by to the nucleus by Karyopherin nuclear transport receptors. In the cytoplasm, histones also bind to histone chaperones, which often...
Lead Institution: Northwestern University
Principal Investigator: Amy Rosenzweig
Particulate methane monooxygenase (pMMO) is the primary enzyme used for methane metabolism by methane-consuming bacteria known as methanotrophs. pMMO is a copper-dependent, membrane-bound metalloenzyme that oxidizes methane to methanol by an unknown...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Eric Bylaska
The proposed development work in this theoretical cross-cutting staff proposal include: (1) Development of new algorithms supporting high-level electron structure calculation of reaction mechanisms involving charge transfer (e.g., electron transfer...
Lead Institution: Northwestern University
Principal Investigator: Yuan He
Among all different types of DNA damages, double strand breaks (DSBs) are viewed as the most toxic ones that lead to genome instability. Non-homologous end-joining (NHEJ) pathway, in which the two broken DNA ends are directly ligated without...
Lead Institution: Pacific Northwest National Laboratory
Principal Investigator: Niranjan Govind
This is a multi-pronged proposal aimed at theoretical developments and modeling of a variety of spectroscopies (UV/Vis, XAS, XES, EELS, NMR, EPR, Raman), ultrafast electron (de)localization dynamics and charge transfer and transport in...
Lead Institution: Fred Hutchinson Cancer Research Center
Principal Investigator: Betty Shen
Nuclease enzymes are of enormous importance for a wide range of biological and biotechnology disciplines that require site-specific DNA manipulations. Bacterial R-M systems consist of a restriction endonuclease that specifically cleaves an...
Lead Institution: Oregon Health & Science University
Principal Investigator: Show-Ling Shyng
The ATP-sensitive potassium (KATP) channel formed by four Kir6.2 and four SUR1 subunits regulate insulin secretion in ?-cells by coupling glucose metabolism with membrane excitability. Mutations in the ?-cell KATP channel causes abnormal insulin...