FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2912396267> ?p ?o ?g. }

• W2912396267 endingPage "3335" @default.
• W2912396267 startingPage "3320" @default.
• W2912396267 abstract "A new copper(ii) complex, [Cu(LC)(Ibu-phen)(H2O)2](ClO4)2 (LC: lidocaine, Ibu-phen: ibuprofen amide-phenanthroline), was synthesized and characterized. The antioxidant activities of the free ligands and the copper(ii) complex were evaluated by in vitro experiments and theoretical calculations using density functional theory (DFT). Structures of the ligand Ibu-phen and the complex were identified by 1H and 13C NMR, FT-IR spectroscopies, mass spectrometry, thermogravimetric analysis and elemental analysis. The antioxidant potentials of LC and Ibu-phen ligands as well as copper(ii) complex were also evaluated by DPPH˙, ABTS˙+, HO˙ essays and EPR spectroscopy. The experimental results show that the radical scavenging activity (RSA) at various concentrations is decreased in the following order: copper(ii) complex > ascorbic acid > LC > Ibu-phen. Structural and electronic properties of the studied compounds were also analyzed by DFT approach at the M05-2X/6-311++g(2df,2p)//M05-2X/LanL2DZ level of theory. ESP maps and NPA charge distributions show that the highly negative charge regions found on the N and O heteroatoms make these sites more favorable to bind with the central copper ion. Frontier orbital distributions of copper(ii) complex indicate that HOMOs are mainly localized at Ibu-phen, while its LUMOs are distributed at LC. Based on natural bond orbitals (NBO) analyses, Cu(ii) ion plays as electron acceptor in binding with the two ligands and two water molecules. Thermochemical properties including bond dissociation enthalpy (BDE), ionization energy (IE), electron affinity (EA), proton affinity (PA) characterizing three common antioxidant mechanisms i.e. hydrogen transfer (HT), single electron transfer (SET) and proton loss (PL) were finally calculated in the gas phase and water solvent for two ligands and the copper(ii) complex at the same level of theory. As a result, the higher EA and lower BDE and PA values obtained for copper(ii) complex show that the complex shows higher antioxidant potential than the free ligands." @default.
• W2912396267 created "2019-02-21" @default.
• W2912396267 creator A5024898128 @default.
• W2912396267 creator A5040128796 @default.
• W2912396267 creator A5082824466 @default.
• W2912396267 date "2019-01-01" @default.
• W2912396267 modified "2023-10-18" @default.
• W2912396267 title "Experimental and theoretical evaluation on the antioxidant activity of a copper(<scp>ii</scp>) complex based on lidocaine and ibuprofen amide-phenanthroline agents" @default.
• W2912396267 cites W1561156962 @default.
• W2912396267 cites W1591138153 @default.
• W2912396267 cites W1630786301 @default.
• W2912396267 cites W1910621665 @default.
• W2912396267 cites W1977424327 @default.
• W2912396267 cites W1981152083 @default.
• W2912396267 cites W1982029843 @default.
• W2912396267 cites W1983848600 @default.
• W2912396267 cites W1990057346 @default.
• W2912396267 cites W1998336460 @default.
• W2912396267 cites W2001379731 @default.
• W2912396267 cites W2004598200 @default.
• W2912396267 cites W2006441761 @default.
• W2912396267 cites W2007485665 @default.
• W2912396267 cites W2011514657 @default.
• W2912396267 cites W2011683915 @default.
• W2912396267 cites W2021231925 @default.
• W2912396267 cites W2024199089 @default.
• W2912396267 cites W2028635509 @default.
• W2912396267 cites W2031053165 @default.
• W2912396267 cites W2033896145 @default.
• W2912396267 cites W2034772210 @default.
• W2912396267 cites W2035714184 @default.
• W2912396267 cites W2037459593 @default.
• W2912396267 cites W2038083805 @default.
• W2912396267 cites W2038767330 @default.
• W2912396267 cites W2039954341 @default.
• W2912396267 cites W2048024271 @default.
• W2912396267 cites W2048645097 @default.
• W2912396267 cites W2050691003 @default.
• W2912396267 cites W2051046647 @default.
• W2912396267 cites W2051142732 @default.
• W2912396267 cites W2061128141 @default.
• W2912396267 cites W2063995028 @default.
• W2912396267 cites W2065128927 @default.
• W2912396267 cites W2070212138 @default.
• W2912396267 cites W2071309458 @default.
• W2912396267 cites W2072209104 @default.
• W2912396267 cites W2072936136 @default.
• W2912396267 cites W2083650657 @default.
• W2912396267 cites W2085143996 @default.
• W2912396267 cites W2091924913 @default.
• W2912396267 cites W2092296361 @default.
• W2912396267 cites W2094630676 @default.
• W2912396267 cites W2139276300 @default.
• W2912396267 cites W2156279367 @default.
• W2912396267 cites W2169024409 @default.
• W2912396267 cites W2169898152 @default.
• W2912396267 cites W2171445884 @default.
• W2912396267 cites W2292484749 @default.
• W2912396267 cites W2299343972 @default.
• W2912396267 cites W2521893842 @default.
• W2912396267 cites W2522018620 @default.
• W2912396267 cites W2522429960 @default.
• W2912396267 cites W2523750153 @default.
• W2912396267 cites W2531172224 @default.
• W2912396267 cites W2564354621 @default.
• W2912396267 cites W2589803797 @default.
• W2912396267 cites W2613500853 @default.
• W2912396267 cites W2725535200 @default.
• W2912396267 cites W2743078610 @default.
• W2912396267 cites W2745413701 @default.
• W2912396267 cites W2759140496 @default.
• W2912396267 cites W2787324849 @default.
• W2912396267 cites W2804051966 @default.
• W2912396267 cites W2804964640 @default.
• W2912396267 cites W4243487594 @default.
• W2912396267 cites W4246372781 @default.
• W2912396267 cites W48222313 @default.
• W2912396267 cites W62246165 @default.
• W2912396267 cites W2082093407 @default.
• W2912396267 doi "https://doi.org/10.1039/c8ra09763a" @default.
• W2912396267 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35518981" @default.
• W2912396267 hasPublicationYear "2019" @default.
• W2912396267 type Work @default.
• W2912396267 sameAs 2912396267 @default.
• W2912396267 citedByCount "34" @default.
• W2912396267 countsByYear W29123962672019 @default.
• W2912396267 countsByYear W29123962672020 @default.
• W2912396267 countsByYear W29123962672021 @default.
• W2912396267 countsByYear W29123962672022 @default.
• W2912396267 countsByYear W29123962672023 @default.
• W2912396267 crossrefType "journal-article" @default.
• W2912396267 hasAuthorship W2912396267A5024898128 @default.
• W2912396267 hasAuthorship W2912396267A5040128796 @default.
• W2912396267 hasAuthorship W2912396267A5082824466 @default.
• W2912396267 hasBestOaLocation W29123962671 @default.
• W2912396267 hasConcept C121332964 @default.
• W2912396267 hasConcept C130188946 @default.
• W2912396267 hasConcept C147597530 @default.

• next