Please use this identifier to cite or link to this item:
Full metadata record
DC FieldValueLanguage
dc.contributor.authorShukla, Shraddha-
dc.contributor.authorVerma, Anil Kumar-
dc.contributor.authorBishnoi, Abha-
dc.contributor.authorDevi, Poornima-
dc.contributor.authorRai, Sonam-
dc.identifier.issn0975-0959 (Online); 0301-1208 (Print)-
dc.description.abstractThe work describes synthesis of a bioactive molecule 2-(4-fluorophenyl)-4-(4-(4-methoxyphenyl)-5-(3-nitrophenyl)-4H- 1, 2, 4-triazol-3-yl)quinoline. The characterization has been done with the help of various spectroscopic techniques followed by in-silico studies including various structural parameters viz. electrostatic potential, electrophilicity (ω), chemical potential (μ), chemical hardness (η), thermodynamic properties at various temperatures, Natural bond orbital (NBO), Non-linear optical (NLO), electric dipole moment, polarizability and first static hyperpolarizability. Reactivity descriptors were also investigated to find out the sites liable for electrophilic and nucleophilic attack. The compound was also bio-evaluated for its antimicrobial and antioxidant activity. It showed significant activity against S. typhi and a positive antioxidant activity shown by reduction in color with percentage inhibition of 89%.en_US
dc.publisherNIScPR-CSIR, Indiaen_US
dc.sourceIJPAP Vol.60(11) [Nov 2022]en_US
dc.titleSynthesis, Computational, FT- IR, NMR and UV-Vis Spectral Studies of Bioactive 2-(4-fluorophenyl)-4-(4-(4-methoxyphenyl)-5-(3-nitrophenyl)-4H-1,2, 4-triazol-3-yl)quinolineen_US
Appears in Collections:IJPAP Vol.60(11) [Nov 2022]

Files in This Item:
File Description SizeFormat 
IJPAP 60(11) 922-932.pdf1.44 MBAdobe PDFView/Open
IJPAP 60(11) 922-932 SUPPL.pdf481.25 kBAdobe PDFView/Open

Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.