Concentration dependent SERS profile of p-tolyl 2-acetamido-3-(4-fluoro-phenyl)propanoate (AFP) in silver colloidal nanohydrosols: Experimental and DFT investigations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11160%2F23%3A10472134" target="_blank" >RIV/00216208:11160/23:10472134 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=IOHMvO1_Nv" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=IOHMvO1_Nv</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2023.135998" target="_blank" >10.1016/j.molstruc.2023.135998</a>
Alternative languages
Result language
angličtina
Original language name
Concentration dependent SERS profile of p-tolyl 2-acetamido-3-(4-fluoro-phenyl)propanoate (AFP) in silver colloidal nanohydrosols: Experimental and DFT investigations
Original language description
Based on Density Functional Theory (DFT) calculations and the Surface Enhanced Raman Scattering (SERS) technique, the adsorption properties of p-tolyl 2-acetamido-3-(4-fluorophenyl)propanoate (AFP) on silver surface were examined. The title compound, AFP showed balanced inhibition of acetyl- and butyrylcholinesterase along with mild cytotoxicity of HepG2 cells according to the previous study. After adsorption on silver surface, the structural properties of AFP exhibit a small modification, indicating an interaction between the AFP and Ag6 cluster. Experimental research on AFP and SERS spectra at various concentrations was conducted. Raman frequencies for AFP and AFP adsorbed on silver were computed. FMOs for AFP and AFP adsorbed on the silver surface were conducted. After AFP was adsorbed on the silver, the energy gap was dramatically lowered. The greater bioactivity of AFP is caused by the lowering energy gap, which denotes the electron delocalization. According to SERS spectrum analysis, AFP was adsorbed on silver with a tilted orientation. As a result, the current study has been used as a model system to comprehend how silver nanoprticles (NP) interact with AFP. Silver nanoparticles are successfully used for the treatment of different diseases alone or in association with other active components and the incorporation of AFP with silver nanocolloids will act as a nanodrug delivery system.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
30104 - Pharmacology and pharmacy
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Molecular Structure
ISSN
0022-2860
e-ISSN
1872-8014
Volume of the periodical
1290
Issue of the periodical within the volume
October
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
135998
UT code for WoS article
001024945200001
EID of the result in the Scopus database
2-s2.0-85161653835