Projects

Optimization of peptide identification from tandem mass spectral data

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

William Cannon

Project type

Exploratory Research

Determining the correct sequence of amino acids for a peptide starting with MS/MS spectral data can be stated as an optimization problem where the objective is to match an experimental spectrum with…

Benchmarking Localized Coupled Cluster methods in the NWchem package

Lead Institution

University of Waterloo

Principal Investigator

Martinus Nooijen

Project type

Exploratory Research

Using the Tensor Contraction Engine developed by Dr. So Hirata we have implemented a localized coupled cluster approach in NWchem. The present and near-future capabilities of this implementation …

Quantum Mechanical and Molecular Mechanical Methods for Iron-Sulfur Proteins

Lead Institution

Texas A&M University

Principal Investigator

Shuqiang Niu

Project type

Exploratory Research

Iron-sulfur proteins are essential in bioenergetics, including respiration, photosynthesis, nitrogen fixation, and hydrogen production and thus are prime candidates for bioengineering or biomimetic…

Measuring nanometer distances in the packaging RNA using Double Electron-Electron Resonance.

Lead Institution

University of Southern California

Principal Investigator

Peter Qin

Project type

Exploratory Research

In this renewal application we request to continue to use the pulsed EPR spectrometer at EMSL. We will use the instrument to measure nanometer distances in a complex of the packaging RNA (pRNA),…

XPS Analysis of Corrosion Protective Paint Systems for Al Alloys Based on Mg-Rich Primers

Lead Institution

North Dakota State University

Principal Investigator

Dante Battocchi

Project type

Exploratory Research

The goal of the proposed research is spectroscopic investigation of Mg corrosion products and Mg-rich primer interfaces by virtue of XPS analysis. To date, no XPS analyses have been performed on Mg…

Investigation of Secondary Organic Aerosol and Black Carbon Aging during the 2010 Carbonaceous Aerosol and Radiative Effects Study (CARES)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Rahul Zaveri

Project type

Exploratory Research

Carbonaceous aerosols play a major role in the direct and indirect radiative forcing of climate. However, several mechanistic uncertainties and knowledge gaps still exist in our understanding of…

Dye Studies on CHO cells.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

M. Mayer-Cumblidge

Project type

Exploratory Research

We have synthesized two dyes (FlAsH and ReAsH)which bind to a tetracysteine motif. We are seeking to optimize binding to a protein in living cells.

TEM and XPS analysis of ligand-functionalized semiconductor quantum dots used in biodetection studies

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Marvin Warner

Project type

Exploratory Research

The research included in this proposal involves the routine TEM and XPS analysis of functionalized semiconductor nanoparticles (primarily CdSe) that will serve as the signal transduction element in…

Separation and measurement of DNA from soil extracts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Richard Ozanich

Project type

Exploratory Research

Fluidic methods for separating DNA from soil extracts will be developed. Background fluorescence of soil extracts will be determined to optimize selection of final hybridized DNA detection…

Investigation of cobalt active sites in cobalt-based catalyst for higher alcohol synthesis from synga

Lead Institution

Seoul National University

Principal Investigator

Do Heui Kim

Project type

Exploratory Research

The higher alcohol synthesis, which produces higher alcohol (C6-C18 alpha alcohol) for transportation fuel or fuel additives by reacting synthesis gas (CO and H2), is at the heart of the gas-to…

Micromodel Pore-Scale Displacement Studies of Brine and Supercritical CO2

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Mart Oostrom

Project type

Exploratory Research

Supercritical carbon dioxide (scCO2) sequestration in deep saline aquifers or reservoirs is, to a large extent, affected by porous medium properties, fluid properties, and interfacial interactions…

Using the Atmosphere as a Kinetics Laboratory: Investigation of Rapid Exhaust Plume Chemistry using Proton Transfer Reaction Mass Spectrometry

Lead Institution

Montana State University

Principal Investigator

Walter Knighton

Project type

Exploratory Research

Using an array of real time instrumentation we will characterize atmospheric chemical kinetics taking place within an exhaust plume of jet aircraft engine. This research will elucidate plume scale…

Isotopic Measurements for MAJORANA

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Richard Kouzes

Project type

Exploratory Research

The current focal point of PNNL's nuclear physics program is the MAJORANA DEMONSTRATOR, and the follow-on 1-tonne scale experiment, a large array of ultra-low background high-purity germanium…

Designing a Spectroelectrochemical Sensor for Pertechnetate Applicable to Hanford and Other DOE Sites

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Samuel Bryan

Project type

Exploratory Research

The general aim of our work currently funded by DOE (formerly by EMSP) is the design and implementation of a new sensor technology that offers unprecedented levels of specificity needed for …

Interface study of the conjugates of magnetic nanoparticles with actinide chelator for nuclear waste separation

Lead Institution

University of Idaho

Principal Investigator

You Qiang

Project type

Exploratory Research

Magnetic separation of actinide radionuclide waste can be achieved by utilizing magnetic nanoparticle-chelator (MNP-Che) conjugates. This novel separation method for used nuclear fuel attracts lots…

Computational support to the program 'Ab Initio Molecular Dynamics Simulations of Solution species, Nanoparticles, and Geochemical Interfaces Under Extreme Conditions'.

Lead Institution

University of California, San Diego

Principal Investigator

John Weare

Project type

Exploratory Research

A grand challenge research need in geosciences is the predictions of the interaction of geochemical fluids containing solutes with minerals, nanoparticles, and colloids under extreme near surface…

Defects in Transparent Conductive beta-Ga2O3 Single Crystals

Lead Institution

University of Washington

Principal Investigator

Marjorie Olmstead

Project type

Exploratory Research

In this proposal we motivate and describe a series of ion beam experiments and density functional theory calculations to be conducted at EMSL, which will answer fundamental questions about the origin…

Exploring the crick-tip mechanisms driving environmental degradation of alloys through controlled oxidation study of alloyed nanoparticles

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Chongmin Wang

Project type

Exploratory Research

Nanoparticles offer a unique way to observe the formation of small voids produced by vacancy injection during early stages of oxidation without sample cutting or polishing. Recent work at PNNL on…

The characterization of phosphorus recovered from dairy effluent using biochar and polymer flocculation methods.

Lead Institution

United States Department of Agriculture - Agricultural Research Service Vegetable and Forage Crops Research Unit

Principal Investigator

Harold Collins

Project type

Exploratory Research

The current economic climate in conjunction with rising production costs and environmental concerns over phosphorus fertilizer and dairy nutrient management issues requires research to evaluate on…

A New Approach to a Deep Understanding of Biomass Recalcitrance

Lead Institution

Washington State University Tri-Cities

Principal Investigator

Xiao Zhang

Project type

Exploratory Research

A deep understanding of 'biomass recalcitrance' is a key to the development of cost effective pretreatment and discovery of highly efficient cell wall polysaccharide degrading enzyme…