Ionization of 2- and 4(5)-Nitroimidazoles Radiosensitizers: A "Kinetic Competition" Between NO
density functional calculations
high-energy density materials
radiotherapy
rate coefficient
variational transition state theory
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Titre abrégé: Chemphyschem
Pays: Germany
ID NLM: 100954211
Informations de publication
Date de publication:
03 12 2021
03 12 2021
Historique:
revised:
23
09
2021
received:
28
08
2021
pubmed:
2
10
2021
medline:
2
10
2021
entrez:
1
10
2021
Statut:
ppublish
Résumé
Nitroimidazoles are a class of chemicals with a remarkable broad spectrum of applications from the production of explosives to the use as radiosensitizers in radiotherapy. The understanding of thedynamics of their fragmentation induced by ionizing sources is of fundamental interest. The goal of this work is to theoretically investigate the kinetic competition between the two most important decomposition channels of 2, 4 and 5-Nitroimidazole cations: the NO and NO
Identifiants
pubmed: 34597457
doi: 10.1002/cphc.202100629
pmc: PMC9293481
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
2387-2391Subventions
Organisme : COST
Informations de copyright
© 2021 The Authors. ChemPhysChem published by Wiley-VCH GmbH.
Références
Nat Rev Drug Discov. 2008 Feb;7(2):156-67
pubmed: 18167491
Transl Oncol. 2011 Aug;4(4):189-98
pubmed: 21804913
J Chem Phys. 2012 Sep 21;137(11):114303
pubmed: 22998258
J Phys Chem A. 2018 Apr 26;122(16):4031-4041
pubmed: 29652141
J Phys Chem Lett. 2019 Nov 7;10(21):6750-6754
pubmed: 31609626
Clin Oncol (R Coll Radiol). 2007 Aug;19(6):397-417
pubmed: 17478086
Chem Soc Rev. 2017 Dec 11;46(24):7548-7596
pubmed: 29165460
J Phys Chem A. 2015 Oct 1;119(39):9986-95
pubmed: 26344652
Chem Rev. 2006 Nov;106(11):4518-84
pubmed: 17091928
Chemistry. 2017 Sep 18;23(52):12892-12899
pubmed: 28695572
Phys Chem Chem Phys. 2015 May 21;17(19):12598-607
pubmed: 25899156
J Phys Chem A. 2013 Oct 10;117(40):10162-9
pubmed: 24028421
Phys Chem Chem Phys. 2017 Aug 2;19(30):19807-19814
pubmed: 28657102
J Chem Phys. 2014 May 14;140(18):184307
pubmed: 24832270
Eur J Cancer. 2009 May;45(8):1352-69
pubmed: 19153039
J Biol Chem. 2008 Nov 21;283(47):32590-7
pubmed: 18820338
J Hazard Mater. 2008 Mar 1;151(2-3):289-305
pubmed: 18061344
J Phys Chem A. 2019 Apr 11;123(14):3074-3079
pubmed: 30807166
Front Chem. 2019 May 14;7:329
pubmed: 31157205
J Chem Phys. 2015 Dec 28;143(24):244312
pubmed: 26723676
J Phys Chem A. 2013 Feb 28;117(8):1756-64
pubmed: 23388058
J Phys Chem A. 2020 Jul 9;124(27):5555-5562
pubmed: 32513004
Chemphyschem. 2021 Dec 3;22(23):2387-2391
pubmed: 34597457
J Hazard Mater. 2009 Jan 15;161(1):21-8
pubmed: 18490103
J Med Chem. 2017 Sep 28;60(18):7636-7657
pubmed: 28463485
J Am Soc Mass Spectrom. 2019 Dec;30(12):2678-2691
pubmed: 31667709
Transl Oncol. 2012 Apr;5(2):66-71
pubmed: 22496921
J Chem Phys. 2016 Nov 21;145(19):191102
pubmed: 27875881
Front Chem. 2019 Apr 02;7:151
pubmed: 31001511