Projects

Determine 3d-structure of chemokine in apo form and in complex with its native receptor by solid state NMR

Lead Institution

Bristol-Myers Squibb

Principal Investigator

Luciano Mueller

Project type

Large-Scale EMSL Research

Structural biology has significantly accelerated the development of drug leads in protein targets for which 3d structures could be obtained either by XRAY crystallography or by NMR spectroscopy…

Regulated proteolysis and bystander effects in radiation

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

David Springer

Project type

Exploratory Research

Growing evidence suggests that the number of cells adversely influenced by radiation exposure is greater that those receiving a direct radiation hit. We hypothesize that radiation-induced bystander…

Identification and characterization of soluble factors in delayed effects of low dose radiation

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

David Springer

Project type

Exploratory Research

There is compelling evidence from in vitro tissue culture studies, in vivo animal models, irradiated human subjects, and radiotherapy patients, for a variety of biological effects occurring outside…

Investigation into the Polarized Raman Spectra of Benzene,
Benzene-d6 and Hexafluorobenzene

Lead Institution

Appalachian State University

Principal Investigator

Stephen Williams

Project type

Exploratory Research

It is becoming increasingly common for quantum chemistry programs to compute Raman activities using DFT or correlated electronic structure methods. Surprisingly the quality…

LASER-INDUCED NEUTRAL METAL ATOM DESORPTION FROM MAGNESIUM OXIDE AND LITHIUM FLUORIDE PROBED VIA OPTICAL SPECTROSCOPIES

Lead Institution

Instituto de Optica

Principal Investigator

Carmen Afonso

Project type

Exploratory Research

The aim of this project is to combine the expertise found at EMSL (Ken Beck) on defect promoted laser desorption in alkaline halides and alkaline-earth oxides and the expertise at the Instituto de…

Computational study of polycyclic aromatic hydrocarbons and their derivatives

Lead Institution

University of Illinois at Urbana-Champaign

Principal Investigator

So Hirata

Project type

Exploratory Research

Polycyclic aromatic hydrocarbons (PAHs) constitute a large class of conjugated pi-electron systems that are key molecular species in many branches of chemistry, such as, interstellar, combustion,…

Hydrogen Adsorption Characterization of Carbon Supported Catalyst

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Feng Zheng

Project type

Exploratory Research

A carbon-supported catalyst was developed at PNNL for processing biobased feedstock by hydrothermal reactions. The dispersion of catalyst metal on the support needs to be measured using the hydrogen…

Characterization Polymer Thin Films and Arrays

Lead Institution

Portland State University

Principal Investigator

Mingdi Yan

Project type

Exploratory Research

Our research at Portland State University focuses on surface chemistry and molecular imprinting. One particular area of interest is the fabrication of polymer thin film arrays that possess molecular…

Fabricate Nanoscale Thin Film Cathode with Sputter Deposition

Lead Institution

University of Washington

Principal Investigator

Yunxiang Lu

Project type

Exploratory Research

The objective of this project is 1) to fabricate nanoscale thin film cathode with sputtering and pulsed laser deposition techniques with well defined electrode geometry, 2) study transient electrode…

Computer Simulation of Radiation Effects in Zircon

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Ram Devanathan

Project type

Exploratory Research

Zircon is an extremely durable mineral proposed as a crystalline host for the disposal of high actinide waste forms. In order to minimize the release of actinides to the environment, it is essential…

Computer Simulation of Radiation Effects in Zircon

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Ram Devanathan

Project type

Exploratory Research

Zircon is an extremely durable mineral proposed as a crystalline host for the disposal of high actinide waste forms. In order to minimize the release of actinides to the environment, it is essential…

Steam Reforming of Methanol over Highly Active and Selective Pd/ZnO Catalyst

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Robert Dagle

Project type

Exploratory Research

Pd/ZnO catalysts are currently being investigated for steam reforming of methanol. Unlike precious metal-based catalysts, Pd/ZnO catalysts not only exhibited high activity, but more importantly very…

Mechanisms for Self Healing in Gastropods: Lessons From Biology, a Case Study of Two Species, Lavigeria grandis and Nucella lamellosa

Lead Institution

University of Washington

Principal Investigator

Karen Hinkley

Project type

Exploratory Research

In materials engineering, designs for materials are made to suit specific purposes, as a living organism evolves to fill a nitch in an ecosysytem. Unlike the biological world, materials cannot…

Characterization of Iron Sulfide Mineral Phases Associated with the Reductive Sequestration of Technetium

Lead Institution

Oregon Health & Science University

Principal Investigator

Paul Tratnyek

Project type

Large-Scale EMSL Research

Under reducing conditions, TcO4- is readily reduced to TcIV, which forms highly insoluble oxides such as TcO2-nH2O, but (re)oxidation of TcIV oxides can lead to remobilization. Under sulfidogenic…

Formation and Decomposition of Cerium-Based Nitrate Species

Lead Institution

University of Waterloo

Principal Investigator

William Epling

Project type

Large-Scale EMSL Research

We propose to study the effects of CO2 and H2O, two key diesel exhaust components, on the stability of nitrates bound to ceria on a Pt/Ce/Al2O3 catalyst. Commercial NOX storage/reduction (NSR)…

Measure fluorescence spectra from LiF film

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Mark Murphy

Project type

Exploratory Research

Fluorescence spectra from a LiF film developed at PNNL was measured and found to exhibit peaks in the green, red and infrared. These color centers have been found to perform well in uses for high…

Ab initio calculations of GTP hydrolysis by using NWChem and TAO components

Lead Institution

Iowa State University

Principal Investigator

Theresa Windus

Project type

Exploratory Research

As part of the Common Component Architecture (CCA) project funded by the U. S. Dept. of Energy (DOE) under the Scientific Discovery through Advanced Computing (SciDAC) program, we are developing…

Image iron oxide nanoparticles

Lead Institution

Harvard University

Principal Investigator

Gary Holtom

Project type

Exploratory Research

Small particles (50-300 nm) particles of various iron oxides have been synthesized. These tend to aggregate and we would like to learn the size distribution of the particles and, if possible, if…

DC-1 Molecular & Bio imprinting

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xiaohong Li

Project type

Exploratory Research

Employ whole cells (bacterial) as templates to create complementary polymer surface. Prepare polymer beads with spatially-defined, highly functional patches of size and shape corresponding exactly…

Local motions in protein structures

Lead Institution

Technische Universität München

Principal Investigator

Edward Schlag

Project type

Exploratory Research

For some years we have been involved in the question of a model for charge transport in peptides. We obtained unusual results for which we have proposed a new theory in 1995 which assigns special…