Insights into the Adsorption Nature of a Bioactive Anticancer Derivative of Benzenesulfonate on Silver Colloids at Various Concentrations: Experimental and DFT Investigations

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11160%2F24%3A10472137" target="_blank" >RIV/00216208:11160/24:10472137 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=kc~tHeX4E1" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=kc~tHeX4E1</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/10406638.2023.2228449" target="_blank" >10.1080/10406638.2023.2228449</a>

Result language

angličtina

Original language name

Insights into the Adsorption Nature of a Bioactive Anticancer Derivative of Benzenesulfonate on Silver Colloids at Various Concentrations: Experimental and DFT Investigations

Original language description

Density functional theory was used in the present study to report and validate the 4-chloro-2-[(3,5-dichlorophenyl)carbamoyl]phenylbenzenesulfonate&apos;s (CPB) IR, Raman and SERS spectra. The molecular systems, CPB and CPB-Ag6 were initially optimized. Frontier molecular orbital study demonstrates that in CPB-Ag6 complex, charge transfer (CT) interaction occurs between Ag and molecule. CT interaction in the examined systems was further verified by the MEP surface. The CPB is chemisorbed on Ag6 with affinity and a tilted orientation through lone pair electrons of atoms, according to Raman and SERS spectral analyses. Additionally, there was good correlation between the theoretical and observed results. The current study thus lays the path for designing robust SERS active substrates that will be useful for creating biosensors related to the CPB molecule.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

30104 - Pharmacology and pharmacy

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

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

Name of the periodical

Polycyclic Aromatic Compounds

ISSN

1040-6638

e-ISSN

1563-5333

Volume of the periodical

44

Issue of the periodical within the volume

5

Country of publishing house

US - UNITED STATES

Number of pages

13

Pages from-to

3009-3021

UT code for WoS article

001015414400001

EID of the result in the Scopus database

2-s2.0-85162943190