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Circular Dichroism is Sensitive to Monovalent Cation Binding in Monensin Complexes

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00460300" target="_blank" >RIV/61388963:_____/16:00460300 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1002/chir.22597" target="_blank" >http://dx.doi.org/10.1002/chir.22597</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1002/chir.22597" target="_blank" >10.1002/chir.22597</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Circular Dichroism is Sensitive to Monovalent Cation Binding in Monensin Complexes

  • Original language description

    Monensin is a natural antibiotic that exhibits high affinity to certain metal ions. In order to explore its potential in coordination chemistry, circular dichroism (CD) spectra of monensic acid A (MonH) and its derivatives containing monovalent cations (Li+, Na+, K+, Rb+, Ag+, and Et4N+) in methanolic solutions were measured and compared to computational models. Whereas the conventional CD spectroscopy allowed recording of the transitions down to 192nm, synchrotron radiation circular dichroism (SRCD) revealed other bands in the 178-192nm wavelength range. CD signs and intensities significantly varied in the studied compounds, in spite of their similar crystal structure. Computational modeling based on the Density Functional Theory (DFT) and continuum solvent model suggests that the solid state monensin structure is largely conserved in the solutions as well. Time-dependent Density Functional Theory (TDDFT) simulations did not allow band-to-band comparison with experimental spectra due to their limited precision, but indicated that the spectral changes were caused by a combination of minor conformational changes upon the monovalent cation binding and a direct involvement of the metal electrons in monensin electronic transitions. Both the experiment and simulations thus show that the CD spectra of monensin complexes are very sensitive to the captured ions and can be used for their discrimination.

  • Czech name

  • Czech description

Classification

  • 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

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2016

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Chirality

  • ISSN

    0899-0042

  • e-ISSN

  • Volume of the periodical

    28

  • Issue of the periodical within the volume

    5

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    9

  • Pages from-to

    420-428

  • UT code for WoS article

    000375148300011

  • EID of the result in the Scopus database

    2-s2.0-84963829085