FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3080297001> ?p ?o ?g. }

• W3080297001 endingPage "129146" @default.
• W3080297001 startingPage "129146" @default.
• W3080297001 abstract "• FT-IR, FT-Raman, UV-Visible and NMR ( 1 H & 13 C) spectra of piperine (PP) were analysed. • Geometry, vibrational spectra and electronic properties of PP-H 2 O & WS-H 2 O complex were discussed. • Chemical reactivity and charge transfer properties were investigated. • Molecular docking analysis shows the bio-active site of PP and WS. A combined experimental and theoretical quantum chemical calculations have been carried out to study the geometry, vibrational wavenumbers, electronic transition and anti-inflammatory activity of piper amide alkaloid compound piperine (PP). Computational study is done on other piper amide alkaloid wisanine (WS) using B3LYP/6–311G(d,p) basis set. The conformational analysis is carried out to find the most stable geometry of PP and WS. Normal coordinate analysis (NCA) is performed to analyse the vibrational wavenumber and potential energy distribution (PED) assignments. The interaction of PP and WS with water molecule is also performed to know the effect of hydrogen bond on its geometry and vibrational spectra. Natural bond orbital (NBO) analysis was performed to study the charge delocalization, hyperconjugative interaction, inter and intramolecular hydrogen bonding interaction in the molecule to know about anti-inflammatory active site. Non-covalent interactions are analyzed using reduced density gradient (RDG) analysis. The UV–visible spectrum of PP in ethanol and water solvent is recorded and compared with calculated data. The 1 H and 13 C NMR spectra of PP are recorded and analyzed. The chemical stability and anti-inflammatory activity of title compound are evaluated by HOMO-LUMO analysis. The chemical reactivity descriptors are calculated to predict the reactivity and stability of the molecule. The intermolecular interactions and crystal packing of title compound are studied by Hirshfeld surface analysis techniques. PP is screened for its anti-inflammatory activity. Molecular docking study predicts the binding site of PP and WS into its target protein." @default.
• W3080297001 created "2020-09-01" @default.
• W3080297001 creator A5013877037 @default.
• W3080297001 creator A5033057495 @default.
• W3080297001 creator A5052802141 @default.
• W3080297001 creator A5061246478 @default.
• W3080297001 date "2021-02-01" @default.
• W3080297001 modified "2023-10-16" @default.
• W3080297001 title "Spectroscopic, quantum chemical, hydrogen bonding, reduced density gradient analysis and anti-inflammatory activity study on piper amide alkaloid piperine and wisanine" @default.
• W3080297001 cites W1860916670 @default.
• W3080297001 cites W1965173894 @default.
• W3080297001 cites W1967161585 @default.
• W3080297001 cites W1968511284 @default.
• W3080297001 cites W1973864341 @default.
• W3080297001 cites W1989911437 @default.
• W3080297001 cites W1994653335 @default.
• W3080297001 cites W1998513778 @default.
• W3080297001 cites W2001043131 @default.
• W3080297001 cites W2017766169 @default.
• W3080297001 cites W2022366997 @default.
• W3080297001 cites W2023271753 @default.
• W3080297001 cites W2025682539 @default.
• W3080297001 cites W2029667189 @default.
• W3080297001 cites W2030976617 @default.
• W3080297001 cites W2043716537 @default.
• W3080297001 cites W2051622977 @default.
• W3080297001 cites W2058820717 @default.
• W3080297001 cites W2060550993 @default.
• W3080297001 cites W2072444078 @default.
• W3080297001 cites W2079868633 @default.
• W3080297001 cites W2090820870 @default.
• W3080297001 cites W2091243801 @default.
• W3080297001 cites W2105668062 @default.
• W3080297001 cites W2132525235 @default.
• W3080297001 cites W2142645112 @default.
• W3080297001 cites W2143981217 @default.
• W3080297001 cites W2157886075 @default.
• W3080297001 cites W2196473683 @default.
• W3080297001 cites W2305683658 @default.
• W3080297001 cites W2551154560 @default.
• W3080297001 cites W2566290632 @default.
• W3080297001 cites W2741401856 @default.
• W3080297001 cites W2889228994 @default.
• W3080297001 cites W3021853533 @default.
• W3080297001 doi "https://doi.org/10.1016/j.molstruc.2020.129146" @default.
• W3080297001 hasPublicationYear "2021" @default.
• W3080297001 type Work @default.
• W3080297001 sameAs 3080297001 @default.
• W3080297001 citedByCount "13" @default.
• W3080297001 countsByYear W30802970012020 @default.
• W3080297001 countsByYear W30802970012022 @default.
• W3080297001 countsByYear W30802970012023 @default.
• W3080297001 crossrefType "journal-article" @default.
• W3080297001 hasAuthorship W3080297001A5013877037 @default.
• W3080297001 hasAuthorship W3080297001A5033057495 @default.
• W3080297001 hasAuthorship W3080297001A5052802141 @default.
• W3080297001 hasAuthorship W3080297001A5061246478 @default.
• W3080297001 hasConcept C111429119 @default.
• W3080297001 hasConcept C112887158 @default.
• W3080297001 hasConcept C130188946 @default.
• W3080297001 hasConcept C139287275 @default.
• W3080297001 hasConcept C14158195 @default.
• W3080297001 hasConcept C147597530 @default.
• W3080297001 hasConcept C147789679 @default.
• W3080297001 hasConcept C152365726 @default.
• W3080297001 hasConcept C178790620 @default.
• W3080297001 hasConcept C185592680 @default.
• W3080297001 hasConcept C2778439535 @default.
• W3080297001 hasConcept C2780133158 @default.
• W3080297001 hasConcept C2780694488 @default.
• W3080297001 hasConcept C32909587 @default.
• W3080297001 hasConcept C71240020 @default.
• W3080297001 hasConcept C75079739 @default.
• W3080297001 hasConceptScore W3080297001C111429119 @default.
• W3080297001 hasConceptScore W3080297001C112887158 @default.
• W3080297001 hasConceptScore W3080297001C130188946 @default.
• W3080297001 hasConceptScore W3080297001C139287275 @default.
• W3080297001 hasConceptScore W3080297001C14158195 @default.
• W3080297001 hasConceptScore W3080297001C147597530 @default.
• W3080297001 hasConceptScore W3080297001C147789679 @default.
• W3080297001 hasConceptScore W3080297001C152365726 @default.
• W3080297001 hasConceptScore W3080297001C178790620 @default.
• W3080297001 hasConceptScore W3080297001C185592680 @default.
• W3080297001 hasConceptScore W3080297001C2778439535 @default.
• W3080297001 hasConceptScore W3080297001C2780133158 @default.
• W3080297001 hasConceptScore W3080297001C2780694488 @default.
• W3080297001 hasConceptScore W3080297001C32909587 @default.
• W3080297001 hasConceptScore W3080297001C71240020 @default.
• W3080297001 hasConceptScore W3080297001C75079739 @default.
• W3080297001 hasLocation W30802970011 @default.
• W3080297001 hasOpenAccess W3080297001 @default.
• W3080297001 hasPrimaryLocation W30802970011 @default.
• W3080297001 hasRelatedWork W1504479139 @default.
• W3080297001 hasRelatedWork W1950689151 @default.
• W3080297001 hasRelatedWork W2024705962 @default.
• W3080297001 hasRelatedWork W2036501225 @default.
• W3080297001 hasRelatedWork W2084804591 @default.
• W3080297001 hasRelatedWork W2233385042 @default.

• next