FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2517847384> ?p ?o ?g. }

• W2517847384 endingPage "654" @default.
• W2517847384 startingPage "643" @default.
• W2517847384 abstract "Antioxidants are compounds which can prevent biological and chemical substances from oxidative damage by reactive oxygen species. Flavonoids are the most important class of polyphenolic compounds that because of their antioxidant characters possess biological activities and pharmacological effects. Chrysin-6-C-fucopyranoside and chrysin-3-malonyl-6-C-fucopyranoside are mono C-glycosyl derivatives of chrysin and flavonoid metabolites in leaves of Cyclanthera pedata. In order to study the effect of glycoside group on the antioxidant ability of chrysin, theoretical parameters including bond dissociation enthalpy (BDE), energy gap (∆E) and spin density for three above mentioned flavonoids are calculated using DFT method at the B3LYP/6-311++G** level in gas phase. In order to consider the various environments, solvent effects in water and DMSO using self-consistent reaction field (SCRF) and the polarizable continuum model (PCM) at B3LYP/6-311++G** level are performed. Obtained results show that solvent is able to cause significant change in the reaction enthalpies but no significant change on energy gap (∆E) and spin density. Our results indicate that BDE values due to its space prevention and presence of intra hydrogen bond between O atom of glycoside group (O-C1gg) in chrysin derivatives and 7OH  have a low inverse effect on the BDE and so on antioxidant ability. We use Bader’s atoms in molecules (AIM) theory to perform a topological study on chrysin and its derivatives to emphasize the presence of intra hydrogen bonds. Base on AIM analyses, these hydrogen bonds have covalent nature. Energy gap (∆E) and spin density of flavonoid radicals almost do not change in the presence of glycoside group in gas phase, as well as in water and DMSO solvents. So, linked glycoside agent to chrysin does not improve its antioxidant ability." @default.
• W2517847384 created "2016-09-16" @default.
• W2517847384 creator A5017809689 @default.
• W2517847384 creator A5036799071 @default.
• W2517847384 creator A5040041938 @default.
• W2517847384 date "2016-12-01" @default.
• W2517847384 modified "2023-09-23" @default.
• W2517847384 title "THEORETICAL STUDY ON GLYCOSYL GROUP EFFECT ON ANTIOXIDANT ABILITY OF CHRYSIN BIOFLAVONOID" @default.
• W2517847384 cites W1550061415 @default.
• W2517847384 cites W1974211218 @default.
• W2517847384 cites W1986645535 @default.
• W2517847384 cites W1992451200 @default.
• W2517847384 cites W1996536752 @default.
• W2517847384 cites W1998189465 @default.
• W2517847384 cites W2000155766 @default.
• W2517847384 cites W2003471941 @default.
• W2517847384 cites W2010415507 @default.
• W2517847384 cites W2010821874 @default.
• W2517847384 cites W2020112199 @default.
• W2517847384 cites W2053706787 @default.
• W2517847384 cites W2059133194 @default.
• W2517847384 cites W2072075804 @default.
• W2517847384 cites W2076438363 @default.
• W2517847384 cites W2081818190 @default.
• W2517847384 cites W2085465078 @default.
• W2517847384 cites W2086776677 @default.
• W2517847384 cites W2094903353 @default.
• W2517847384 cites W2102689108 @default.
• W2517847384 cites W2109492393 @default.
• W2517847384 cites W2127696024 @default.
• W2517847384 cites W2147241419 @default.
• W2517847384 cites W2192974086 @default.
• W2517847384 cites W2468666442 @default.
• W2517847384 cites W2950677098 @default.
• W2517847384 cites W2407075615 @default.
• W2517847384 doi "https://doi.org/10.22036/pcr.2016.16559" @default.
• W2517847384 hasPublicationYear "2016" @default.
• W2517847384 type Work @default.
• W2517847384 sameAs 2517847384 @default.
• W2517847384 citedByCount "0" @default.
• W2517847384 crossrefType "journal-article" @default.
• W2517847384 hasAuthorship W2517847384A5017809689 @default.
• W2517847384 hasAuthorship W2517847384A5036799071 @default.
• W2517847384 hasAuthorship W2517847384A5040041938 @default.
• W2517847384 hasConcept C112887158 @default.
• W2517847384 hasConcept C147597530 @default.
• W2517847384 hasConcept C152365726 @default.
• W2517847384 hasConcept C178790620 @default.
• W2517847384 hasConcept C185592680 @default.
• W2517847384 hasConcept C2778004101 @default.
• W2517847384 hasConcept C2779054382 @default.
• W2517847384 hasConcept C2779478871 @default.
• W2517847384 hasConcept C2780906977 @default.
• W2517847384 hasConcept C32909587 @default.
• W2517847384 hasConcept C75473681 @default.
• W2517847384 hasConceptScore W2517847384C112887158 @default.
• W2517847384 hasConceptScore W2517847384C147597530 @default.
• W2517847384 hasConceptScore W2517847384C152365726 @default.
• W2517847384 hasConceptScore W2517847384C178790620 @default.
• W2517847384 hasConceptScore W2517847384C185592680 @default.
• W2517847384 hasConceptScore W2517847384C2778004101 @default.
• W2517847384 hasConceptScore W2517847384C2779054382 @default.
• W2517847384 hasConceptScore W2517847384C2779478871 @default.
• W2517847384 hasConceptScore W2517847384C2780906977 @default.
• W2517847384 hasConceptScore W2517847384C32909587 @default.
• W2517847384 hasConceptScore W2517847384C75473681 @default.
• W2517847384 hasIssue "4" @default.
• W2517847384 hasLocation W25178473841 @default.
• W2517847384 hasOpenAccess W2517847384 @default.
• W2517847384 hasPrimaryLocation W25178473841 @default.
• W2517847384 hasRelatedWork W1986645535 @default.
• W2517847384 hasRelatedWork W2007890076 @default.
• W2517847384 hasRelatedWork W2022785552 @default.
• W2517847384 hasRelatedWork W2022932311 @default.
• W2517847384 hasRelatedWork W2029220742 @default.
• W2517847384 hasRelatedWork W2038308614 @default.
• W2517847384 hasRelatedWork W2068549153 @default.
• W2517847384 hasRelatedWork W2068992449 @default.
• W2517847384 hasRelatedWork W2070538652 @default.
• W2517847384 hasRelatedWork W2082228328 @default.
• W2517847384 hasRelatedWork W2114043115 @default.
• W2517847384 hasRelatedWork W2127696024 @default.
• W2517847384 hasRelatedWork W2170965675 @default.
• W2517847384 hasRelatedWork W2549581436 @default.
• W2517847384 hasRelatedWork W2770826431 @default.
• W2517847384 hasRelatedWork W2788217237 @default.
• W2517847384 hasRelatedWork W2884996199 @default.
• W2517847384 hasRelatedWork W2944576952 @default.
• W2517847384 hasRelatedWork W3005589449 @default.
• W2517847384 hasRelatedWork W3159655584 @default.
• W2517847384 hasVolume "4" @default.
• W2517847384 isParatext "false" @default.
• W2517847384 isRetracted "false" @default.
• W2517847384 magId "2517847384" @default.
• W2517847384 workType "article" @default.