FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2233385042> ?p ?o ?g. }

• W2233385042 abstract "Abstract Curcumin (1), isolated as a major component from the chloroform extract of Curcuma longa was converted to its ester derivative 4-((1E, 6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl)-2-methoxyphenyl 4-fluorobenzoate (2). The compound has been characterized with the help of 1H, 13C NMR, UV, IR and mass spectrometry. The molecular geometry of synthesized compound was calculated in ground state by Density functional theory (DFT/B3LYP) using 6-31G (d,p) basis set. 1H and 13C NMR chemical shifts were calculated in ground state by using Gauge-Including Atomic Orbital (GIAO) approach and these values were correlated with experimental observations. The electronic properties such as HOMO and LUMO energies were calculated using time dependent Density Functional Theory (TD-DFT). Stability of the molecule as a result of hyper conjugative interactions and electron delocalization were analysed using Natural bond orbital (NBO) analysis. Intramolecular interactions were analysed by AIM (Atom in molecule) approach. Global reactivity descriptors were calculated to study the reactive site within molecule. The vibrational wavenumbers were calculated using DFT method and assigned with the help of potential energy distribution (PED). First hyperpolarizability values have been calculated to describe the nonlinear optical (NLO) property of the synthesized compounds. Molecular electrostatic potential (MEP) analysis has also been carried out." @default.
• W2233385042 created "2016-06-24" @default.
• W2233385042 creator A5031859132 @default.
• W2233385042 creator A5051500634 @default.
• W2233385042 creator A5059030623 @default.
• W2233385042 creator A5084315885 @default.
• W2233385042 date "2016-04-01" @default.
• W2233385042 modified "2023-09-24" @default.
• W2233385042 title "Synthesis of 4-((1E, 6E)-7-(4-hydroxy-3-methoxyphenyl)-3, 5-dioxohepta-1, 6-dienyl)-2-methoxyphenyl 4-fluorobenzoate, a novel monoester derivative of curcumin, its experimental and theoretical (DFT) studies" @default.
• W2233385042 cites W1548551133 @default.
• W2233385042 cites W1550061415 @default.
• W2233385042 cites W1597773817 @default.
• W2233385042 cites W1605674029 @default.
• W2233385042 cites W1965173894 @default.
• W2233385042 cites W1965503902 @default.
• W2233385042 cites W1970272269 @default.
• W2233385042 cites W1981111904 @default.
• W2233385042 cites W1981258947 @default.
• W2233385042 cites W1984586975 @default.
• W2233385042 cites W1986202630 @default.
• W2233385042 cites W1989502636 @default.
• W2233385042 cites W1993028853 @default.
• W2233385042 cites W2004669308 @default.
• W2233385042 cites W2009301144 @default.
• W2233385042 cites W2028501440 @default.
• W2233385042 cites W2032373722 @default.
• W2233385042 cites W2033206521 @default.
• W2233385042 cites W2038767330 @default.
• W2233385042 cites W2039135862 @default.
• W2233385042 cites W2047937197 @default.
• W2233385042 cites W2051767505 @default.
• W2233385042 cites W2054164390 @default.
• W2233385042 cites W2060480230 @default.
• W2233385042 cites W2060757388 @default.
• W2233385042 cites W2062143824 @default.
• W2233385042 cites W2082234179 @default.
• W2233385042 cites W2086803729 @default.
• W2233385042 cites W2089962804 @default.
• W2233385042 cites W2093471928 @default.
• W2233385042 cites W2094498700 @default.
• W2233385042 cites W2161531885 @default.
• W2233385042 cites W2169426301 @default.
• W2233385042 cites W2419269917 @default.
• W2233385042 cites W2479938871 @default.
• W2233385042 cites W571042174 @default.
• W2233385042 cites W2026181961 @default.
• W2233385042 doi "https://doi.org/10.1016/j.molstruc.2015.12.029" @default.
• W2233385042 hasPublicationYear "2016" @default.
• W2233385042 type Work @default.
• W2233385042 sameAs 2233385042 @default.
• W2233385042 citedByCount "0" @default.
• W2233385042 crossrefType "journal-article" @default.
• W2233385042 hasAuthorship W2233385042A5031859132 @default.
• W2233385042 hasAuthorship W2233385042A5051500634 @default.
• W2233385042 hasAuthorship W2233385042A5059030623 @default.
• W2233385042 hasAuthorship W2233385042A5084315885 @default.
• W2233385042 hasConcept C103319777 @default.
• W2233385042 hasConcept C111429119 @default.
• W2233385042 hasConcept C130188946 @default.
• W2233385042 hasConcept C139287275 @default.
• W2233385042 hasConcept C139358910 @default.
• W2233385042 hasConcept C14158195 @default.
• W2233385042 hasConcept C142724271 @default.
• W2233385042 hasConcept C147597530 @default.
• W2233385042 hasConcept C147789679 @default.
• W2233385042 hasConcept C152365726 @default.
• W2233385042 hasConcept C163111631 @default.
• W2233385042 hasConcept C178790620 @default.
• W2233385042 hasConcept C185592680 @default.
• W2233385042 hasConcept C193547582 @default.
• W2233385042 hasConcept C204787440 @default.
• W2233385042 hasConcept C2776910235 @default.
• W2233385042 hasConcept C2780694488 @default.
• W2233385042 hasConcept C32909587 @default.
• W2233385042 hasConcept C65956243 @default.
• W2233385042 hasConcept C70050531 @default.
• W2233385042 hasConcept C71240020 @default.
• W2233385042 hasConcept C71924100 @default.
• W2233385042 hasConcept C75079739 @default.
• W2233385042 hasConceptScore W2233385042C103319777 @default.
• W2233385042 hasConceptScore W2233385042C111429119 @default.
• W2233385042 hasConceptScore W2233385042C130188946 @default.
• W2233385042 hasConceptScore W2233385042C139287275 @default.
• W2233385042 hasConceptScore W2233385042C139358910 @default.
• W2233385042 hasConceptScore W2233385042C14158195 @default.
• W2233385042 hasConceptScore W2233385042C142724271 @default.
• W2233385042 hasConceptScore W2233385042C147597530 @default.
• W2233385042 hasConceptScore W2233385042C147789679 @default.
• W2233385042 hasConceptScore W2233385042C152365726 @default.
• W2233385042 hasConceptScore W2233385042C163111631 @default.
• W2233385042 hasConceptScore W2233385042C178790620 @default.
• W2233385042 hasConceptScore W2233385042C185592680 @default.
• W2233385042 hasConceptScore W2233385042C193547582 @default.
• W2233385042 hasConceptScore W2233385042C204787440 @default.
• W2233385042 hasConceptScore W2233385042C2776910235 @default.
• W2233385042 hasConceptScore W2233385042C2780694488 @default.
• W2233385042 hasConceptScore W2233385042C32909587 @default.
• W2233385042 hasConceptScore W2233385042C65956243 @default.
• W2233385042 hasConceptScore W2233385042C70050531 @default.
• W2233385042 hasConceptScore W2233385042C71240020 @default.

• next