SERS spectroscopy for the therapeutic N-butyl-2-isonicotinoylhydrazine-1-carboxamide in silver nanocolloids at different concentrations: Experimental and DFT investigations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11160%2F23%3A10472131" target="_blank" >RIV/00216208:11160/23:10472131 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=znK6dOQSHi" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=znK6dOQSHi</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2023.134905" target="_blank" >10.1016/j.molstruc.2023.134905</a>

Jazyk výsledku

angličtina

Název v původním jazyce

SERS spectroscopy for the therapeutic N-butyl-2-isonicotinoylhydrazine-1-carboxamide in silver nanocolloids at different concentrations: Experimental and DFT investigations

Popis výsledku v původním jazyce

SERS at different concentrations and vibrational spectroscopic studies of N-butyl-2-isonicotinoylhydrazine-1-carboxamide (INC) are reported. DFT calculations based on silver cluster model and TD-DFT calculations support experimental observations. Raman band enhancements that are only present in some of the SERS spectra further point to the contribution of charge transfer interactions to the overall enhancements INC&apos;s Raman modes. The presence of the inactive nR bands in the SERS spectrum is due to the presence of Ag and these show the chemisorption nature of INC with the silver surface in an inclined orientation according to selection rules. The method created in this study can accurately quantify INC and might be applied to medications with structural relevance.

Název v anglickém jazyce

SERS spectroscopy for the therapeutic N-butyl-2-isonicotinoylhydrazine-1-carboxamide in silver nanocolloids at different concentrations: Experimental and DFT investigations

Popis výsledku anglicky

SERS at different concentrations and vibrational spectroscopic studies of N-butyl-2-isonicotinoylhydrazine-1-carboxamide (INC) are reported. DFT calculations based on silver cluster model and TD-DFT calculations support experimental observations. Raman band enhancements that are only present in some of the SERS spectra further point to the contribution of charge transfer interactions to the overall enhancements INC&apos;s Raman modes. The presence of the inactive nR bands in the SERS spectrum is due to the presence of Ag and these show the chemisorption nature of INC with the silver surface in an inclined orientation according to selection rules. The method created in this study can accurately quantify INC and might be applied to medications with structural relevance.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

30104 - Pharmacology and pharmacy

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

1872-8014

Svazek periodika

1277

Číslo periodika v rámci svazku

April

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

134905

Kód UT WoS článku

000920702300001

EID výsledku v databázi Scopus

2-s2.0-85145771271