Synthesis and computational mechanistic studies of copper selective molecular receptor
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F20%3A00538019" target="_blank" >RIV/61388955:_____/20:00538019 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0315850" target="_blank" >http://hdl.handle.net/11104/0315850</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/vjch.201900161" target="_blank" >10.1002/vjch.201900161</a>
Alternative languages
Result language
angličtina
Original language name
Synthesis and computational mechanistic studies of copper selective molecular receptor
Original language description
Although numerous molecular receptors for Cu2+ have been reported, it is not obvious to find a simple molecule as a selective receptor for Cu2+. Here we create a molecular receptor 4MHEB for Cu2+ metal ions. Observation of a new absorption band near 282 nm in UV-visible spectra and enhancement in fluorescence intensity in emission spectra justify the binding 4MHEB:Cu2+ binding. Inspection in shifting of IR bands, different thermal behavior and oxidation and reduction peaks of complex shows binding of 4MHEB:Cu2+. HRMS m/z 322.0328, Benesi-Hildebrand method and Job's Plot results 1:1 (4MHEB:Cu2+) binding stoichiometry with the binding affinity K = 1.751x10(5) M-1. The docked pose of 4MHEB with Cu2+ ion, Key transitions, % Contribution was calculated by computational studies.
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
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA17-18108S" target="_blank" >GA17-18108S: Novel electrochemically active thiacalix[4]arenes and their oxidized analogues as ligands and receptors</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
VIETNAM JOURNAL OF CHEMISTRY
ISSN
0866-7144
e-ISSN
—
Volume of the periodical
58
Issue of the periodical within the volume
2
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
221-230
UT code for WoS article
000588009800014
EID of the result in the Scopus database
—