Can Satraplatin be hydrated before the reduction process occurs? The DFT computational study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61383082%3A_____%2F12%3A%230000137" target="_blank" >RIV/61383082:_____/12:#0000137 - isvavai.cz</a>
Result on the web
<a href="http://link.springer.com/article/10.1007/s00894-012-1442-z" target="_blank" >http://link.springer.com/article/10.1007/s00894-012-1442-z</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00894-012-1442-z" target="_blank" >10.1007/s00894-012-1442-z</a>

Result language
angličtina
Original language name
Can Satraplatin be hydrated before the reduction process occurs? The DFT computational study
Original language description
Hydration reactions of two anticancer Pt(IV) complexes JM149 and JM216 (Satraplatin) were studied computationally together with the hydration of the Pt(II) complex JM118, which is a product of the Satraplatin reduction. Thermodynamic and kinetic parameters of the reactions were determined at the B3LYP/6-311++G(2df.2pd)//B3LYP/6-31 + G(d)) level of theory. The water solution was modeled using the COSMO implicit solvation model, with cavities constructed using Klamt?s atomic radii. It was found that hydration of the Pt(IV) complexes is an endergonic/endothermic reaction.
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
FH - Neurology, neuro-surgery, nuero-sciences
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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