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
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Czech description
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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
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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
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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