Theoretical modeling on the kinetics of the arsenate-ester hydrolysis: Implications to the stability of As-DNA

Arnošt Mládek; Jiří Šponer; Bobby G. Sumpter; Miguel Fuentes-Cabrera; Judit E. Šponer

doi:10.1039/c1cp20423h

Theoretical modeling on the kinetics of the arsenate-ester hydrolysis: Implications to the stability of As-DNA

Arnošt Mládek, Jiří Šponer, Bobby G. Sumpter, Miguel Fuentes-Cabrera, Judit E. Šponer

Center for Nanophase Matls Sciences

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

Quantum chemical calculations reveal that neither steric hindrance nor less polar solvent medium is able to reduce the otherwise high hydrolysis rate of arsenate-esters. These results question the stability of As-DNA not only in aqueous but also in non-aqueous environments.

Original language	English
Pages (from-to)	10869-10871
Number of pages	3
Journal	Physical Chemistry Chemical Physics
Volume	13
Issue number	23
DOIs	https://doi.org/10.1039/c1cp20423h
State	Published - Jun 21 2011

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title = "Theoretical modeling on the kinetics of the arsenate-ester hydrolysis: Implications to the stability of As-DNA",

abstract = "Quantum chemical calculations reveal that neither steric hindrance nor less polar solvent medium is able to reduce the otherwise high hydrolysis rate of arsenate-esters. These results question the stability of As-DNA not only in aqueous but also in non-aqueous environments.",

author = "Arno{\v s}t Ml{\'a}dek and Ji{\v r}{\'i} {\v S}poner and Sumpter, {Bobby G.} and Miguel Fuentes-Cabrera and {\v S}poner, {Judit E.}",

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AU - Mládek, Arnošt

AU - Šponer, Jiří

AU - Sumpter, Bobby G.

AU - Fuentes-Cabrera, Miguel

AU - Šponer, Judit E.

PY - 2011/6/21

Y1 - 2011/6/21

N2 - Quantum chemical calculations reveal that neither steric hindrance nor less polar solvent medium is able to reduce the otherwise high hydrolysis rate of arsenate-esters. These results question the stability of As-DNA not only in aqueous but also in non-aqueous environments.

AB - Quantum chemical calculations reveal that neither steric hindrance nor less polar solvent medium is able to reduce the otherwise high hydrolysis rate of arsenate-esters. These results question the stability of As-DNA not only in aqueous but also in non-aqueous environments.

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U2 - 10.1039/c1cp20423h

DO - 10.1039/c1cp20423h

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EP - 10871

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 23

ER -

Theoretical modeling on the kinetics of the arsenate-ester hydrolysis: Implications to the stability of As-DNA

Abstract

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