Chromatographic analysis of chemical compounds related to the Chemical Weapons Convention

Witkiewicz, Zygfryd; Śliwka, E.; Neffe, S.

doi:10.1016/j.trac.2016.05.006

Cited by 33 publications

(9 citation statements)

References 134 publications

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“…The Schedules describe an indeterminate number of molecular structures (see Box 1), and while relatively few of all the possible Scheduled chemicals have ever been produced, in principle every molecular structure covered by the Annex is subject to verification measures. The OPCW’s Scheduled Chemicals Database contains 34,254 chemicals (Figure ), the bulk of these coming from research and development on chemical analysis − and/or medical countermeasures, − not the development of weapons. Having such infinite coverage of “Scheduled chemical space”, despite the actual known number of Scheduled chemicals occupying such a small portion of it, differs from chemical control mechanisms like those of international drug control conventions, whose Schedules often exclusively list individual controlled substances .…”

Section: The Chemical Weapons Conventionmentioning

confidence: 99%

Nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain, and Stereochemistry: What Does Any of This Have to Do with an International Chemical Disarmament and Nonproliferation Treaty?

et al. 2020

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The Chemical Weapons Convention (CWC) is an international disarmament and nonproliferation treaty that mandates a comprehensive ban on chemical weapons. This treaty entered-into-force in 1997 and has a nearly universal membership of world states. The CWC provides definitions for what constitutes a chemical weapon and describes chemicals for which verification measures and regulatory oversight are required. These chemicals, which must be declared to the Organisation for the Prohibition of Chemical Weapons for verification purposes, appear in three Schedules within the CWC. The Schedules list specific chemical substances and families of chemicals defined by molecular structure descriptions that allow a range of specified variable groups. The text of an international treaty provides a basis for laws and regulatory requirements at international and national levels that must be enacted to comply with treaty obligations. These laws and regulations must account for the "chemistry" that is described in the treaty text, which has been negotiated and agreed upon by world governments. In this paper, we look at some of the chemicals described within the CWC and discuss how atoms and molecules, nomenclature, and Chemical Abstracts Service numbers, isomer enumeration, ring strain, and stereochemistry influence the obligations of States to an international treaty. The material draws upon the authors' experiences from an interactive "Science for Diplomats" initiative that has provided a forum for engaging with chemical disarmament decision-makers to aid in their understanding of fundamental concepts in chemistry that have an impact on treaty implementation. We hope this article will spark interest from chemistry students and educators in the provision of science advice for policymakers and provide policymakers with an appreciation of the complexity and importance of understanding the language of chemistry in support of a world free of chemical weapons.

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Section: The Chemical Weapons Conventionmentioning

confidence: 99%

Nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain, and Stereochemistry: What Does Any of This Have to Do with an International Chemical Disarmament and Nonproliferation Treaty?

et al. 2020

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“…To analyze the OPs and their degradation products gas chromatography (GC, Agilent 6890 system, Santa Clara, CA, USA) was used, combined with mass spectrometry (MS, Agilent 5975C detector, Santa Clara, CA, USA) equipped with an autosampler. GC-MS was chosen because these combined techniques are the main way to detect and identify chemicals for verification of compliance to the CWC and for confirming CWA use in all reference laboratories worldwide [49]. The GC was performed in splitless mode with the injection port kept at 220 • C. The initial temperature of the GC oven (40 • C) was held for 1 min and ramped up 10 • C/min to 300 • C, where it was held for 10 min.…”

Section: Instrumentation and Analysismentioning

confidence: 99%

Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison

et al. 2019

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Organophosphorus compounds (OP) are chemicals widely used as pesticides in different applications such as agriculture and public health (vector control), and some of the highly toxic forms have been used as chemical weapons. After application of OPs in an environment, they persist for a period, suffering a degradation process where the biotic factors are considered the most relevant forms. However, to date, the biodegradation of OP compounds is not well understood. There are a plenty of structure-based biodegradation estimation methods, but none of them consider enzymatic interaction in predicting and better comprehending the differences in the fate of OPs in the environment. It is well known that enzymatic processes are the most relevant processes in biodegradation, and that hydrolysis is the main pathway in the natural elimination of OPs in soil samples. Due to this, we carried out theoretical studies in order to investigate the interactions of these OPs with a chosen enzyme-the phosphotriesterase. This one is characteristic of some soils' microorganisms, and has been identified as a key player in many biodegradation processes, thanks to its capability for fast hydrolyzing of different OPs. In parallel, we conducted an experiment using native soil in two conditions, sterilized and not sterilized, spiked with specific amounts of two OPs with similar structure-paraoxon-ethyl (PXN) and O-(4-nitrophenyl) O-ethyl methylphosphonate (NEMP). The amount of OP present in the samples and the appearance of characteristic hydrolysis products were periodically monitored for 40 days using analytical techniques. Moreover, the number of microorganisms present was obtained with plate cell count. Our theoretical results were similar to what was achieved in experimental analysis. Parameters calculated by enzymatic hydrolysis were better for PXN than for NEMP. In soil, PXN suffered a faster hydrolysis than NEMP, and the cell Molecules 2020, 25, 58 2 of 21 count for PXN was higher than for NEMP, highlighting the higher microbiological toxicity of the latter. All these results pointed out that theoretical study can offer a better comprehension of the possible mechanisms involved in real biodegradation processes, showing potential in exploring how biodegradation of OPs relates with enzymatic interactions.

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“…Various methods and analytical procedures are used for this purpose. The most important methods of CWA analysis include chromatographic techniques combined with mass spectrometry [ 7 , 8 , 9 , 10 ]. The results of analyses carried out with such devices in stationary laboratories usually leave no room for doubt.…”

Section: Introductionmentioning

confidence: 99%

Acoustic Wave Sensors for Detection of Blister Chemical Warfare Agents and Their Simulants

Grabka

Witkiewicz

Jasek

et al. 2022

Sensors

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On-site detection and initial identification of chemical warfare agents (CWAs) remain difficult despite the many available devices designed for this type of analysis. Devices using well-established analytical techniques such as ion mobility spectrometry, gas chromatography coupled with mass spectrometry, or flame photometry, in addition to unquestionable advantages, also have some limitations (complexity, high unit cost, lack of selectivity). One of the emerging techniques of CWA detection is based on acoustic wave sensors, among which surface acoustic wave (SAW) devices and quartz crystal microbalances (QCM) are of particular importance. These devices allow for the construction of undemanding and affordable gas sensors whose selectivity, sensitivity, and other metrological parameters can be tailored by application of particular coating material. This review article presents the current state of knowledge and achievements in the field of SAW and QCM-based gas sensors used for the detection of blister agents as well as simulants of these substances. The scope of the review covers the detection of blister agents and their simulants only, as in the available literature no similar paper was found, in contrast to the detection of nerve agents. The article includes description of the principles of operation of acoustic wave sensors, a critical review of individual studies and solutions, and discusses development prospects of this analytical technique in the field of blister agent detection.

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Chromatographic analysis of chemical compounds related to the Chemical Weapons Convention

Cited by 33 publications

References 134 publications

Nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain, and Stereochemistry: What Does Any of This Have to Do with an International Chemical Disarmament and Nonproliferation Treaty?

Nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain, and Stereochemistry: What Does Any of This Have to Do with an International Chemical Disarmament and Nonproliferation Treaty?

Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison

Acoustic Wave Sensors for Detection of Blister Chemical Warfare Agents and Their Simulants

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