Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000267145> ?p ?o ?g. }
Showing items 1 to 92 of
92
with 100 items per page.
- W2000267145 endingPage "89" @default.
- W2000267145 startingPage "79" @default.
- W2000267145 abstract "In addition to their numerous biological activities, natural and hemisynthetic polyphenols contribute to the large variety of colours (from red to violet) in nature (e.g., fruit, vegetables, leaves and petals). In order to understand the colour variation attributed to the multitude of chemical structures of this wide class of compounds, time-dependent density functional quantum-chemical calculations at the B3P86/6-311+G(d,p) level of theory appears as a relevant and efficient tool. The UV/Vis properties of 33 polyphenols were systematically investigated, including mainly flavonoids, isoflavonoids and flavonolignans. On the basis of molecular orbital analysis we established the structure–property relationship, inter alia showing the role of π orbital (de-)localisation, mesomeric (+M) effects of hydroxyl groups and structural modification of the molecular backbone. The results might help in the future, for example, for the prediction of novel hemisynthetic compounds." @default.
- W2000267145 created "2016-06-24" @default.
- W2000267145 creator A5033121503 @default.
- W2000267145 creator A5041690609 @default.
- W2000267145 creator A5067169121 @default.
- W2000267145 creator A5073709556 @default.
- W2000267145 date "2012-03-01" @default.
- W2000267145 modified "2023-10-18" @default.
- W2000267145 title "UV/Visible spectra of natural polyphenols: A time-dependent density functional theory study" @default.
- W2000267145 cites W1578806281 @default.
- W2000267145 cites W1972060131 @default.
- W2000267145 cites W1982682703 @default.
- W2000267145 cites W1992667450 @default.
- W2000267145 cites W1993078382 @default.
- W2000267145 cites W1996465125 @default.
- W2000267145 cites W1997151511 @default.
- W2000267145 cites W2000624982 @default.
- W2000267145 cites W2006882227 @default.
- W2000267145 cites W2024449122 @default.
- W2000267145 cites W2029885423 @default.
- W2000267145 cites W2049014865 @default.
- W2000267145 cites W2058398316 @default.
- W2000267145 cites W2086959952 @default.
- W2000267145 cites W2087258303 @default.
- W2000267145 cites W2104623938 @default.
- W2000267145 cites W2114048891 @default.
- W2000267145 cites W2115631921 @default.
- W2000267145 cites W4230048122 @default.
- W2000267145 doi "https://doi.org/10.1016/j.foodchem.2011.08.034" @default.
- W2000267145 hasPublicationYear "2012" @default.
- W2000267145 type Work @default.
- W2000267145 sameAs 2000267145 @default.
- W2000267145 citedByCount "165" @default.
- W2000267145 countsByYear W20002671452012 @default.
- W2000267145 countsByYear W20002671452013 @default.
- W2000267145 countsByYear W20002671452014 @default.
- W2000267145 countsByYear W20002671452015 @default.
- W2000267145 countsByYear W20002671452016 @default.
- W2000267145 countsByYear W20002671452017 @default.
- W2000267145 countsByYear W20002671452018 @default.
- W2000267145 countsByYear W20002671452019 @default.
- W2000267145 countsByYear W20002671452020 @default.
- W2000267145 countsByYear W20002671452021 @default.
- W2000267145 countsByYear W20002671452022 @default.
- W2000267145 countsByYear W20002671452023 @default.
- W2000267145 crossrefType "journal-article" @default.
- W2000267145 hasAuthorship W2000267145A5033121503 @default.
- W2000267145 hasAuthorship W2000267145A5041690609 @default.
- W2000267145 hasAuthorship W2000267145A5067169121 @default.
- W2000267145 hasAuthorship W2000267145A5073709556 @default.
- W2000267145 hasConcept C147597530 @default.
- W2000267145 hasConcept C152365726 @default.
- W2000267145 hasConcept C175528265 @default.
- W2000267145 hasConcept C178790620 @default.
- W2000267145 hasConcept C185592680 @default.
- W2000267145 hasConcept C2778004101 @default.
- W2000267145 hasConcept C2991951333 @default.
- W2000267145 hasConcept C32909587 @default.
- W2000267145 hasConcept C70899900 @default.
- W2000267145 hasConcept C71240020 @default.
- W2000267145 hasConceptScore W2000267145C147597530 @default.
- W2000267145 hasConceptScore W2000267145C152365726 @default.
- W2000267145 hasConceptScore W2000267145C175528265 @default.
- W2000267145 hasConceptScore W2000267145C178790620 @default.
- W2000267145 hasConceptScore W2000267145C185592680 @default.
- W2000267145 hasConceptScore W2000267145C2778004101 @default.
- W2000267145 hasConceptScore W2000267145C2991951333 @default.
- W2000267145 hasConceptScore W2000267145C32909587 @default.
- W2000267145 hasConceptScore W2000267145C70899900 @default.
- W2000267145 hasConceptScore W2000267145C71240020 @default.
- W2000267145 hasFunder F4320326207 @default.
- W2000267145 hasIssue "1" @default.
- W2000267145 hasLocation W20002671451 @default.
- W2000267145 hasOpenAccess W2000267145 @default.
- W2000267145 hasPrimaryLocation W20002671451 @default.
- W2000267145 hasRelatedWork W1966980303 @default.
- W2000267145 hasRelatedWork W1970435430 @default.
- W2000267145 hasRelatedWork W1980758437 @default.
- W2000267145 hasRelatedWork W2006933535 @default.
- W2000267145 hasRelatedWork W2014209709 @default.
- W2000267145 hasRelatedWork W2043059379 @default.
- W2000267145 hasRelatedWork W2321366725 @default.
- W2000267145 hasRelatedWork W2587744446 @default.
- W2000267145 hasRelatedWork W2949251425 @default.
- W2000267145 hasRelatedWork W4231664518 @default.
- W2000267145 hasVolume "131" @default.
- W2000267145 isParatext "false" @default.
- W2000267145 isRetracted "false" @default.
- W2000267145 magId "2000267145" @default.
- W2000267145 workType "article" @default.