The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00466107" target="_blank" >RIV/61388963:_____/16:00466107 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/16:00502365
Result on the web
<a href="http://dx.doi.org/10.1016/j.ica.2016.03.007" target="_blank" >http://dx.doi.org/10.1016/j.ica.2016.03.007</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ica.2016.03.007" target="_blank" >10.1016/j.ica.2016.03.007</a>

Result language
angličtina
Original language name
The effect of chemical modification of DNA base on binding of Hg-II and Ag-I in metal-mediated base pairs
Original language description
The Gibbs free energy of formation of metallo-base pair was calculated for the base pairs composed of T, U, F, CN, C and I nucleosides and Hg-II and Ag-I metals. The effect of particular metal and the effect of pH on relative stabilization of metallo-base pairs were studied with calculated Gibbs free energies. The stability of Hg-mediated base pairs gradually decreased owing to the F and CN chemical modification of thymine at carbon C5 and owing to the imino to imidazole change of N3 nitrogen atom linked with Hg-II. The prevalence of Ag-I-stabilization versus Hg-II-stabilization was calculated for the metallo-base pairs composed of T, U, F, CN, C and I nucleosides where nucleophilicity of N3 nitrogen atom gradually decreased. The calculated relative stabilizations of metallo-base pairs agreed qualitatively with the increase in melting temperatures measured previously for respective duplexes upon adding Hg-II and Ag-I metals (Okamoto et al., 2009). The absolute magnitude of (1)J(Hg,N) and (2)J(N,N) coupling constants across metal-mediated linkage increased owing to F and CN modification of T and further increase of magnitudes off-couplings was calculated for imino to imidazole change of metal-bound nitrogen.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/GA13-27676S" target="_blank" >GA13-27676S: Pyramidalization of the glycosidic nitrogen in nucleic acids; linking the structural phenomenon with chemistry of N-glycosidic bond cleavage</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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