Please use this identifier to cite or link to this item:
https://dspace.ffh.bg.ac.rs/handle/123456789/1019| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Amić, Ana | en_US |
| dc.contributor.author | Dimitrić Marković, Jasmina | en_US |
| dc.contributor.author | Jeremić, Svetlana | en_US |
| dc.contributor.author | Gadanski, Ivana | en_US |
| dc.contributor.author | Lučić, Bono | en_US |
| dc.contributor.author | Amić, Dragan | en_US |
| dc.date.accessioned | 2022-12-16T17:19:15Z | - |
| dc.date.available | 2022-12-16T17:19:15Z | - |
| dc.date.issued | 2015-12-28 | - |
| dc.identifier.isbn | 9781467379830 | - |
| dc.identifier.uri | https://dspace.ffh.bg.ac.rs/handle/123456789/1019 | - |
| dc.description.abstract | 3-Hydroxyphenylacetic acid (3-HPA) is one of the colon microbial metabolites of flavonoids produced in high concentrations (∼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 coupled with the SMD solvation model. Thermodynamics of three free 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. | en_US |
| dc.relation.ispartof | 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering, BIBE 2015 | en_US |
| dc.title | Free radical scavenging potency of 3-hydroxyphenylacetic acid: A DFT study | en_US |
| dc.type | Conference Paper | en_US |
| dc.identifier.doi | 10.1109/BIBE.2015.7367665 | - |
| dc.identifier.scopus | 2-s2.0-84962835379 | - |
| dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/84962835379 | - |
| item.cerifentitytype | Publications | - |
| item.openairetype | Conference Paper | - |
| item.fulltext | No Fulltext | - |
| item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
| item.grantfulltext | none | - |
| crisitem.author.orcid | 0000-0003-4796-6251 | - |
| Appears in Collections: | Conference paper | |
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