Projects

Analyses of electron density distributions in earth materials with implications for reactivity.

Lead Institution

Virginia Polytechnic Institute

Principal Investigator

Gerald Gibbs

Project type

Exploratory Research

Density functional theory molecular orbital calculations will be used to compute the electron density distributions and their critical point properties of a variety of important silicate minerals and…

Computational Simulations of Antimicrobial Polymeric Surfaces and Biological Membranes

Lead Institution

Universidade Federal de Pernambuco

Principal Investigator

Thereza Soares Da Silva

Project type

Exploratory Research

Medical devices can give rise to treatment-resistant infections upon colonization by pathogenous bacteria. A detailed understanding of the interactions between biological cells and the device surface…

Seattle Structural Genomics Center for Infectious Diseases - Year VI

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Garry Buchko

Project type

Exploratory Research

The Seattle Structural Genomics Center for Infectious Disease (SSGCID) is funded by the National Institute of Allergy and Infectious Diseases (NIAID) to apply genome-scale approaches in solving…

Understanding DNA surface interactions for systems design and engineering

Lead Institution

University of Texas Medical Branch

Principal Investigator

Bernard Pettitt

Project type

Exploratory Research

DNA replication, DNA modification, and single organism engineering are being used in many fields of relevance to the DOE mission. Extensive knowledge of the fundamental reactions involved in these…

Integrating genome-scale metabolic modeling of a microbial community into simulations of subsurface flow and biogeochemical reactive transport.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Steven Yabusaki

Project type

Exploratory Research

The goal of this project is to develop a mechanistic, quantitative, and predictive simulation capability for coupled flow and biogeochemical reactive transport that accounts for • genome-specific…

Using Oxygen Isotope Fractionation (delta-18O) in Otoliths to Characterize the Temperature History of Fall Chinook Salmon

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Timothy Linley

Project type

Exploratory Research

Fall Chinook salmon in the Snake River are listed as threatened under the Endangered Species Act. A potential factor limiting their recovery is the impact from hydropower generation on river…

Ab Initio Calculations of Charge Carrier Properties and Excited-State Processes in Scintillator Materials: Advanced Materials and Scintillation Mechanisms

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Renee Van Ginhoven

Project type

Exploratory Research

The development of new and improved materials for radiation detection is driven by unmet detector requirements for nuclear non-proliferation, homeland security, imaging for medical diagnosis and…

Nanocomposite magnets for energy applications: exploring hard phase/soft phase interfacial properties

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Jun Cui

Project type

Exploratory Research

Exchange-spring magnets are nanocomposites that are composed of magnetically hard and soft phases that interact by magnetic exchange coupling. By theory, a composite magnet with ideal nanostructure,…

Surface-supported sub-nano clusters as catalysts

Lead Institution

University of California, Los Angeles

Principal Investigator

Anastassia Alexandrova

Project type

Exploratory Research

The ultimate objective of the proposed research is fundamental understanding and design of novel catalytic interfaces based on ultra-small, sub-nano surface-deposited clusters, with a particular…

Computational Study of Colicin Dynamics in Lipid Bilayers

Lead Institution

Bowling Green State University

Principal Investigator

H. Peter Lu

Project type

Exploratory Research

We plan to study the colicin ion channel open-close dynamics involving in protein domains diffuse across the biological membrane under an external electric field. Our work will serve as an adequate…

Liquid Sampling-Atmospheric Pressure Glow Discharge (LS-APGD) Ionization Source for Elemental Analysis and Ambient Mass Spectrometry

Lead Institution

Clemson University

Principal Investigator

Richard Marcus

Project type

Exploratory Research

The continued development of a novel low power, low flow "elemental" ionization source for applications in the areas of metallomics and transportable mass spectrometry is proposed. Based…

Characterization of U(VI) speciation in samples from laboratory batch and column experiments

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Jiamin Wan

Project type

Exploratory Research

Our DOE funded projects under the EMSP and NABIR programs focus on the biogeochemical properties of U(VI) in contaminated subsurface environments. Our laboratory batch and column experiments are…

Characterization of U(VI) speciation in samples from laboratory batch and column experiments

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Jiamin Wan

Project type

Exploratory Research

Our DOE funded projects under the EMSP and NABIR programs focus on the biogeochemical properties of U(VI) in contaminated subsurface environments. Our laboratory batch and column experiments are…

Electrical and Photoelectrochemical Characterization of Single Crystal Bismuth Vanadate

Lead Institution

University of Texas at Austin

Principal Investigator

C. Buddie Mullins

Project type

Exploratory Research

Bismuth vanadate (BiVO4) is a promising electrode material in photoelectrochemical (PEC) cells. Recently, it has been shown that doping with Mo and W dramatically improves its performance, but the…

Characterization of partially soluble copper oxide nanoparticles for evaluating the role of deposited dose rate in respiratory tract target cell responses

Lead Institution

University of Rochester

Principal Investigator

Alison Elder

Project type

Exploratory Research

The increasing use of nanoparticles (NPs < 100 nm in at least one dimension) in industrial settings has led to a greater concern about the potential for human exposures. Although there are several…

Interface-Specific Radiation Induced Segregation in Nanocrystalline Alloys

Lead Institution

Drexel University

Principal Investigator

Mitra Taheri

Project type

Exploratory Research

The aim of the proposed project is to provide a fundamental understanding of how metallic nanocrystalline alloys can be utilized as radiation tolerant materials in future nuclear reactors. This aim…

Quantifying selective toxicity of nanoparticles in zebrafish xenograft through advanced microscopy

Lead Institution

Oregon State University

Principal Investigator

Robert Tanguay

Project type

Exploratory Research

Zinc oxide nanoparticles (ZnO-NPs) possess a 28-35 fold preferential cytotoxicity toward cancerous T cells in culture. We hypothesize that this cell dependent selective cytotoxicity extends to other…

Natural Organic Matter Composition and its Influence on Microbial Dynamics and Biogeochemical Processes at the Catchment Scale

Lead Institution

University of New Hampshire

Principal Investigator

Paula Mouser

Project type

Exploratory Research

Natural organic material (NOM) present in surface and subsurface environments is able to drive biogeochemical cycles, with implications for carbon flux, nutrient flow, and contaminant metal…

Engineered nano-scale interfaces in scandia stabilized zirconia and samaria doped ceria multi-layer hetero-structures

Lead Institution

Western Michigan University

Principal Investigator

Asghar Kayani

Project type

Exploratory Research

Recent studies showed a colossal enhancement in the oxygen ionic conductivity of multi-layer oxide thin films compared to most commonly used solid oxide fuel cell (SOFC) electrolytes. It has been…

The Mechanism of the Hammerhead Ribozyme RNA Cleavage Reaction: Determining Optimized Free Energy Reaction Paths from QM/MM Simulations

Lead Institution

University of California, San Diego

Principal Investigator

John Weare

Project type

Exploratory Research

Ribonucleic acids (RNA) play a central role in the transmission of genetic information. However, the identification of additional non-coding roles of RNA polymers continues to grow. An important…