Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning
Novichoks are the suspected nerve agents in the March 2018 Skripal poisoning. In this context, the novichok agent A234 (chemical structure proposed by Mirzayanov) was studied using computational methods to shed light on its molecular, electronic, spectroscopic, thermodynamic and toxicity parameters...
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The Royal Society
2019-02-01
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Online Access: | https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.181831 |
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doaj-1e42e9b7a9ff45749e259cd764063b7c2020-11-25T04:06:40ZengThe Royal SocietyRoyal Society Open Science2054-57032019-02-016210.1098/rsos.181831181831Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoningHanusha BhakhoaLydia RhymanPonnadurai RamasamiNovichoks are the suspected nerve agents in the March 2018 Skripal poisoning. In this context, the novichok agent A234 (chemical structure proposed by Mirzayanov) was studied using computational methods to shed light on its molecular, electronic, spectroscopic, thermodynamic and toxicity parameters as well as on potential thermal and hydrolysis degradation pathways. The poisoning action and antidote of A234 were also investigated. Some of these parameters were compared to three common G- and V-series nerve agents, namely GB, VR and VX. The research findings should be useful towards the detection, development of antidotes and destruction of A234.https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.181831chemical warfaredftnerve agentnovichoka234sarin |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hanusha Bhakhoa Lydia Rhyman Ponnadurai Ramasami |
spellingShingle |
Hanusha Bhakhoa Lydia Rhyman Ponnadurai Ramasami Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning Royal Society Open Science chemical warfare dft nerve agent novichok a234 sarin |
author_facet |
Hanusha Bhakhoa Lydia Rhyman Ponnadurai Ramasami |
author_sort |
Hanusha Bhakhoa |
title |
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning |
title_short |
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning |
title_full |
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning |
title_fullStr |
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning |
title_full_unstemmed |
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning |
title_sort |
theoretical study of the molecular aspect of the suspected novichok agent a234 of the skripal poisoning |
publisher |
The Royal Society |
series |
Royal Society Open Science |
issn |
2054-5703 |
publishDate |
2019-02-01 |
description |
Novichoks are the suspected nerve agents in the March 2018 Skripal poisoning. In this context, the novichok agent A234 (chemical structure proposed by Mirzayanov) was studied using computational methods to shed light on its molecular, electronic, spectroscopic, thermodynamic and toxicity parameters as well as on potential thermal and hydrolysis degradation pathways. The poisoning action and antidote of A234 were also investigated. Some of these parameters were compared to three common G- and V-series nerve agents, namely GB, VR and VX. The research findings should be useful towards the detection, development of antidotes and destruction of A234. |
topic |
chemical warfare dft nerve agent novichok a234 sarin |
url |
https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.181831 |
work_keys_str_mv |
AT hanushabhakhoa theoreticalstudyofthemolecularaspectofthesuspectednovichokagenta234oftheskripalpoisoning AT lydiarhyman theoreticalstudyofthemolecularaspectofthesuspectednovichokagenta234oftheskripalpoisoning AT ponnadurairamasami theoreticalstudyofthemolecularaspectofthesuspectednovichokagenta234oftheskripalpoisoning |
_version_ |
1724431189847048192 |