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.\}",

year = "2011",

month = jun,

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doi = "10.1039/c1cp20423h",

language = "English",

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journal = "Physical Chemistry Chemical Physics",

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T1 - Theoretical modeling on the kinetics of the arsenate-ester hydrolysis

T2 - Implications to the stability of As-DNA

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.

UR - https://www.scopus.com/pages/publications/79958075806

U2 - 10.1039/c1cp20423h

DO - 10.1039/c1cp20423h

M3 - Article

C2 - 21562664

AN - SCOPUS:79958075806

SN - 1463-9076

VL - 13

SP - 10869

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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