Dataset Information

Sensing Chemical Warfare Agent Simulants via Photonic Crystals of the Morpho didius Butterfly.

ABSTRACT: The rapid and portable detection of trace chemical warfare agents (CWAs) remains a challenge for the international security and monitoring community. This work reports the first use of natural photonic crystals (PhCs) as vapor sensors for CWA simulants. Dimethyl methylphosphonate, a nerve agent simulant, and dichloropentane, a mustard gas simulant, were successfully detected at the parts per million level by processing visible light reflected from the PhC inherent to the wing scales of the Morpho didius butterfly. Additionally, modeling of this natural system suggested several parameters for enhancing the sensitivity of a synthetic PhC toward CWA simulants, including materials selection, structure, and spacing of the PhC, and partial functionalization of the PhC toward the analyte of interest. Collectively, this study provides strategies for designing a sensitive, selective, rapid, and affordable means for CWA detection.

SUBMITTER: Kittle JD

PROVIDER: S-EPMC6045417 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Sensing Chemical Warfare Agent Simulants via Photonic Crystals of the <i>Morpho didius</i> Butterfly.

Kittle Joshua D JD Fisher Benjamin P BP Esparza Anthony J AJ Morey Aimee M AM Iacono Scott T ST

ACS omega 20171121 11

The rapid and portable detection of trace chemical warfare agents (CWAs) remains a challenge for the international security and monitoring community. This work reports the first use of natural photonic crystals (PhCs) as vapor sensors for CWA simulants. Dimethyl methylphosphonate, a nerve agent simulant, and dichloropentane, a mustard gas simulant, were successfully detected at the parts per million level by processing visible light reflected from the PhC inherent to the wing scales of the <i>Mo ...[more]

PMID: 30023581

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Project description:Our current understanding of organophosphorus agent (pesticides and chemical warfare nerve agents) metabolism in humans is limited to the general transformation by cytochrome P450 enzymes and, to some extent, by esterases and paraoxonases. The role of compound concentrations on the rate of clearance is not well established and is further explored in the current study. We discuss the metabolism of 56 diverse organophosphorus compounds (both pesticides and chemical warfare nerve agent simulants), many of which were explored at two variable dose regimens (high and low), determining their clearance rates (Clint) in human liver microsomes. For compounds that were soluble at high concentrations, 1D-NMR, 31P, and MRM LC-MS/MS were used to calculate the Clint and the identity of certain metabolites. The determined Clint rates ranged from 0.001 to 2245.52 µL/min/mg of protein in the lower dose regimen and from 0.002 to 98.57 µL/min/mg of protein in the high dose regimen. Though direct equivalency between the two regimens was absent, we observed (1) both mono- and bi-phasic metabolism of the OPs and simulants in the microsomes. Compounds such as aspon and formothion exhibited biphasic decay at both high and low doses, suggesting either the involvement of multiple enzymes with different KM or substrate/metabolite effects on the metabolism. (2) A second observation was that while some compounds, such as dibrom and merphos, demonstrated a biphasic decay curve at the lower concentrations, they exhibited only monophasic metabolism at the higher concentration, likely indicative of saturation of some metabolic enzymes. (3) Isomeric differences in metabolism (between Z- and E- isomers) were also observed. (4) Lastly, structural comparisons using examples of the oxon group over the original phosphorothioate OP are also discussed, along with the identification of some metabolites. This study provides initial data for the development of in silico metabolism models for OPs with broad applications.

Dataset Information

Sensing Chemical Warfare Agent Simulants via Photonic Crystals of the Morpho didius Butterfly.

Publications

Sensing Chemical Warfare Agent Simulants via Photonic Crystals of the <i>Morpho didius</i> Butterfly.

Similar Datasets

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