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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10406 - Analytical chemistry

Result continuities

  • Project

  • 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

  • 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