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<p><strong>Synthesis, 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)quinoline</strong></p>

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Title Statement <p><strong>Synthesis, 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)quinoline</strong></p>
 
Added Entry - Uncontrolled Name Bishnoi, Abha ; University Of Lucknow
SHUKLA, SHRADDHA ; University of Lucknow
Verma, Anil Kumar; University of Lucknow
Devi, Poornima ; University of Lucknow
Rai, Sonam ; University of Lucknow
 
Uncontrolled Index Term DFT
Spectroscopic; Hyperpolarizability; Electrophilicity; Electrostatic; Thermodynamics
 
Summary, etc. <p>The 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 followedby 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-linearoptical (NLO), electric dipole moment, polarizability and first static hyperpolarizability. Reactivity descriptors were alsoinvestigated to find out the sites liable for electrophilic and nucleophilic attack. The compound was also bio-evaluated for itsantimicrobial and antioxidant activity. It showed significant activity against <em>S. typhi</em> and a positive antioxidant activityshown by reduction in color with percentage inhibition of 89%.</p>
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2022-11-07 10:51:32
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/63930
 
Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 60, ##issue.no## 11 (2022): Indian Journal of Pure & Applied Physics
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJPAP/article/download/63930/465611678
http://op.niscair.res.in/index.php/IJPAP/article/download/63930/465611680
http://op.niscair.res.in/index.php/IJPAP/article/download/63930/465611681
http://op.niscair.res.in/index.php/IJPAP/article/download/63930/465611683
http://op.niscair.res.in/index.php/IJPAP/article/download/63930/465611684
 
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