Interaction of the divalent lead cation with cyclosporin A: an experimental and theoretical study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F17%3A43903869" target="_blank" >RIV/60461373:22340/17:43903869 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/17:74571 RIV/60461373:22810/17:43903869
Result on the web
<a href="http://link.springer.com/article/10.1007/s11224-015-0729-y?wt_mc=Internal.Event.1.SEM.ArticleAuthorAssignedToIssue" target="_blank" >http://link.springer.com/article/10.1007/s11224-015-0729-y?wt_mc=Internal.Event.1.SEM.ArticleAuthorAssignedToIssue</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s11224-015-0729-y" target="_blank" >10.1007/s11224-015-0729-y</a>
Alternative languages
Result language
angličtina
Original language name
Interaction of the divalent lead cation with cyclosporin A: an experimental and theoretical study
Original language description
On the basis of extraction experiments and ?-activity measurements, the extraction constant corresponding to the equilibrium Pb2+(aq) + 1?Sr2+(nb) ? 1?Pb2+(nb) + Sr2+(aq) occurring in the two-phase water?nitrobenzene system (1 = cyclosporin A; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (Pb2+, 1?Sr2+) = 0.1 ? 0.1. Further, the stability constant of the 1?Pb2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log ?nb (1?Pb2+) = 9.2 ? 0.2. Finally, applying quantum chemical DFT calculations, the most probable structure of the proven 1?Pb2+ cationic complex species was derived. In the resulting complex, the ?central? cation Pb2+ is bound by four bonding interactions to the corresponding four oxygen atoms of the parent cyclosporin A ligand. The interaction energy, E(int), of the considered 1?Pb2+ complex was found to be ?1016.3 kJ/mol, confirming also the formation of this complex.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Structural Chemistry
ISSN
1040-0400
e-ISSN
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Volume of the periodical
28
Issue of the periodical within the volume
3
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
867-871
UT code for WoS article
000400574100030
EID of the result in the Scopus database
2-s2.0-84954413937