Pregled bibliografske jedinice broj: 785480
Free radical scavenging potency of 3- hydroxyphenylacetic acid: A DFT study
Free radical scavenging potency of 3- hydroxyphenylacetic acid: A DFT study // Bioinformatics and Bioengineering (BIBE), 2015 IEEE 15th International Conference on
Beograd, Srbija, 2015. 15687537, 5 doi:10.1109/BIBE.2015.7367665 (predavanje, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni)
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Naslov
Free radical scavenging potency of 3- hydroxyphenylacetic acid: A DFT study
Autori
Amić, Ana ; Dimitrić Marković, Jasmina ; Jeremić, Svetlana ; Lučić, Bono ; Amić, Dragan
Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni
Izvornik
Bioinformatics and Bioengineering (BIBE), 2015 IEEE 15th International Conference on
/ - , 2015
Skup
15th IEEE International Conference on BioInformatics and BioEngineering
Mjesto i datum
Beograd, Srbija, 02.11.2015. - 04.11.2015
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
quercetin ; 3-HPA ; free radical scavenging ; DFT
Sažetak
3-Hydroxyphenylacetic acid (3-HPA) is one of colon microbial metabolites of flavonoids produced in high concentrations (approx. 300 µM). In this work potency of direct inactivating of selected set of free radicals by 3-HPA was computationally investigated. All calculations were carried out using M05-2X functional with 6-311++G(d, p) basis set with the SMD solvation model. Thermodynamics of three radical scavenging mechanisms were studied considering electronic properties of 3- HPA and scavenged free radicals. On the basis of obtained results it can be safety predicted that 3-HPA is able to at least in situ effectively scavenge free radicals of different nature, thus contributing to protection from diseases mediated by oxidative stress.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
