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Showing 1 to 20 of 33 for “"chemical warfare agents"”.
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Electrochemical detection of chemical warfare agents
… Compound 2 reacted with alkylating agents like MeI, EtI, EtSCH₂CH₂Cl (MA) and (CN)(EtO)₂P(O) (NA) to form MeNH-Fc-COOMe (3), EtNH-Fc-COOMe (4), EtSCH₂CH₂NH-Fc-COOMe (5), (EtO)₂P(O)NH-Fc-COOMe (6), respectively. Cyclic voltammetry (CV) of these compounds showed different half-wave …
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Molecular Modeling Of Energetic Materials And Chemical Warfare Agents
… of military sites by energetic materials and chemical warfare agents is a growing problem. To avoid health hazards associated with these compounds, it is necessary to decontaminate or remediate the contaminated sites. Effective decontamination requires knowledge of environmental fate of …
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Ion mobility and mass spectrometric investigations of organophosphates related to chemical warfare agents and pesticides
… Mobility Spectrometer that is designed to detect Chemical Warfare Agents (CWAs), is modified by the addition of a second ion gate, and connected to a commercial Ion Trap Mass Spectrometer (ITMS). The addition of the second gate allows selection of individual ion mobility peaks for m/z analysis in …
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Ultrahigh Vacuum Studies of the Fundamental Interactions of Chemical Warfare Agents and Their Simulants with Amorphous Silica
… fundamental understanding of the interactions of chemical warfare agents (CWAs) with surfaces is essential for the rational design of new sorbents, sensors, and decontamination strategies. The interactions of chemical warfare agent simulants, molecules which retain many of the same chemical or …
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Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants
… to atmospheric chemistry and protection against chemical weapons. To elucidate findings of ultra-high vacuum experiments that probe the oxidation of carbon-carbon double bonds on model surfaces, we used electronic structure and QM/MM methods to study the reaction of ozone with C60-fullerene and …
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The Study of Zirconium Hydroxide and Zirconium (IV) Metal-Organic Frameworks as Reactive Substrates for the Decomposition of Chemical Warfare Agents
<p>Nerve agents have been described by the Center for Disease Control and Prevention to be the most toxic and rapidly acting of chemical warfare agents. The present study investigates the efficacy of zirconium hydroxide, Zr(OH)<sub>4</sub>, and Zr(IV) Metal-Organic Frameworks (MOFs) in the uptake …
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Hafnium Dioxide Nanoparticle Thin Film Morphology and Reactivity with Dimethyl Methylphosphonate
… as simulants of highly toxic compounds such as chemical warfare agents in the study of the decomposition reactions that occur on the surface of hafnium dioxide. Metal oxide and metal-oxide nanoparticles have been shown to decompose organophosphonate molecules. In this study, high surface area …
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Spectroscopic Studies and Reaction Mechanisms of Small Molecule Oxidation over Metal Oxide-Supported Catalysts
Chemical warfare agents are a toxic class of compounds that are incredibly harmful to human health. Methods of detoxification and decontamination currently exist, however they all suffer from problems that involve logistical transport or involve technologies that directly address liquid threats …
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Metal-Ion Catalyzed Alcoholysis Based Disclosure Solution for the Detection of CW Nerve Agents on Sensitive Materials for Spray and Wipe-Based Applications
Chemical warfare agents (CWA) are defined by the Chemical Weapons Convention as "any chemical which, through its chemical effect on living processes, may cause death, temporary loss of performance, or permanent injury to people and animals." Chemical warfare agents, such as the nerve agents and …
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Effects of Environmental Factors on Functional Properties of Particulate Matter
… to aerosol deposition method, interaction with chemical warfare agents, and environmental exposure. Barium Hexaferrite (BaM) films deposited on a-plane sapphire substrate by aerosol deposition are investigated in a subtractive wedge series to determine the extent of energetic substrate damage …
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Comparative evolution of mipafox-induced delayed neuropathy in the rat and hen
The group of chemicals designated organophosphorus compounds have had a significant impact on modern life, including use as pesticides, industrial plasticizers and chemical warfare agents. Exposure to certain organophosphates produces a delayed degeneration of the longest and largest nerve fibers, …
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Molecules and materials for the optical detection of explosives and toxic chemicals
… detection of both explosives and highly toxic chemicals, including chemical warfare agents. There are varieties of analyte targets, however, that remain challenging for detection by these methods. Research towards improving this technology has obvious implications for homeland security and …
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Methods and applications in computational protein design
… toxic organophosphates including pesticides and chemical warfare agents. Second, we introduce BroMAP/A*, an exhaustive branch-and- bound search technique with enumeration. We compare performance of BroMAP/A* to DEE/A*, the current standard for conformational search with enumeration in the protein …
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Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films
… methods to detect, adsorb, and decompose chemical warfare agents (CWAs) is of critical importance to protecting military and civilian populations alike. The sorption of dimethyl methylphosphonate (DMMP), a CWA simulant, into trisilanolphenyl-POSS (TPP) films has previously been …
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How Atomic Level Interactions Drive Membrane Fusion: Insights From Molecular Dynamics Simulations
… like ionic liquids, energetic materials and chemical warfare agents.</p> <p>Molecular dynamics simulations show that both domains of SYT-1, C2A and C2B, once calcium bound, insert into the lipid bilayer composed of anionic phospholipids. In contrast, no insertion is observed when the domains …
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Design and Construction of a High Vacuum Surface Analysis Instrument to Study Chemistry at Nanoparticulate Surfaces
… metal nanoparticles can adsorb and decompose chemical warfare agents (CWAs) and their simulants. Nanoparticle activity depends on several factors including chemical composition, particle size, and support, resulting in a vast number of materials with potential applications in CWA …
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Functionalized multilayer thin films for protection against acutely toxic agents
… for protection against a range of acutely toxic chemicals, including several chemical warfare agents and toxic industrial compounds. First, Spray-LbL is used to deposit colloidally stable titanium dioxide nanoparticles versus several traditional synthetic polycations. The resulting coatings are …
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Polymer and covalent functionalization of single walled carbon nanotubes for electronic sensor applications
… of volatile organic compounds to include chemical warfare agents are developed. Active sensing materials were produced by crafting composites of synthetic polymers and single walled carbon nanotubes. Sensitivity to and selectivity for target analytes were augmented by the introduction of …
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Interactions between anticholinesterases in an in vitro central nervous system preparation
… as pesticides (e.g. paraoxon) and also as chemical warfare agents (nerve agents, e.g. sarin). These compounds rapidly inhibit the enzyme acetylcholinesterase (AChE), causing overstimulation within the cholinergic nervous system. If left untreated, this can be fatal. Current medical …
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The Reactivity of Chemical Warfare Agent Simulants on Carbamate Functionalized Monolayers and Ordered Silsesquioxane Films
The reactivity of chemical warfare agents (CWAs) and CWA simulants on organic and oxide surfaces is not currently well understood, but is of substantial importance to the development of effective sensors, filters and sorbent materials. Polyurethane coatings are used by the armed forces as chemical …
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