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Ring Formation and Hydration Effects in Electron Attachment to Misonidazole

M. Ončák, R. Meißner, E. Arthur-Baidoo, S. Denifl, TFM. Luxford, A. Pysanenko, M. Fárník, J. Pinkas, J. Kočišek,

. 2019 ; 20 (18) : . [pub] 20190906

Jazyk angličtina Země Švýcarsko

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/bmc20005938

Grantová podpora
19-01159S Grantová Agentura České Republiky
CZ.02.2.69/0.0/16_027/0008355 Ministerstvo Školství, Mládeže a Tělovýchovy
P30332 Austrian Science Fund

We study the reactivity of misonidazole with low-energy electrons in a water environment combining experiment and theoretical modelling. The environment is modelled by sequential hydration of misonidazole clusters in vacuum. The well-defined experimental conditions enable computational modeling of the observed reactions. While the NO 2 - dissociative electron attachment channel is suppressed, as also observed previously for other molecules, the OH - channel remains open. Such behavior is enabled by the high hydration energy of OH - and ring formation in the neutral radical co-fragment. These observations help to understand the mechanism of bio-reductive drug action. Electron-induced formation of covalent bonds is then important not only for biological processes but may find applications also in technology.

Citace poskytuje Crossref.org

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$a Ončák, Milan $u Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria. Milan.Oncak@uibk.ac.at.
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$a Ring Formation and Hydration Effects in Electron Attachment to Misonidazole / $c M. Ončák, R. Meißner, E. Arthur-Baidoo, S. Denifl, TFM. Luxford, A. Pysanenko, M. Fárník, J. Pinkas, J. Kočišek,
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$a We study the reactivity of misonidazole with low-energy electrons in a water environment combining experiment and theoretical modelling. The environment is modelled by sequential hydration of misonidazole clusters in vacuum. The well-defined experimental conditions enable computational modeling of the observed reactions. While the NO 2 - dissociative electron attachment channel is suppressed, as also observed previously for other molecules, the OH - channel remains open. Such behavior is enabled by the high hydration energy of OH - and ring formation in the neutral radical co-fragment. These observations help to understand the mechanism of bio-reductive drug action. Electron-induced formation of covalent bonds is then important not only for biological processes but may find applications also in technology.
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$a Meißner, Rebecca $u Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria. rebecca.meissner@uibk.ac.at. Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade Nova de Lisboa, 2829-516 Caparica, Portugal. rebecca.meissner@uibk.ac.at.
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$a Arthur-Baidoo, Eugene $u Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria. Eugene.Arthur-Baidoo@uibk.ac.at.
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$a Denifl, Stephan $u Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria. Stephan.Denifl@uibk.ac.at. Center for Biomolecular Sciences Innsbruck, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria. Stephan.Denifl@uibk.ac.at.
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$a Luxford, Thomas F M $u J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic. thomas.luxford@jh-inst.cas.cz.
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$a Pysanenko, Andriy $u J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic. andriy.pysanenko@jh-inst.cas.cz.
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$a Fárník, Michal $u J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic. michal.farnik@jh-inst.cas.cz.
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$a Pinkas, Jiří $u J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic. jiri.pinkas@jh-inst.cas.cz.
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$a Kočišek, Jaroslav $u J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic. jaroslav.kocisek@jh-inst.cas.cz.
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