<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>
Online Publishing @ NISCAIR
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Authentication Code |
dc |
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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> |
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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 |
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Uncontrolled Index Term |
DFT Spectroscopic; Hyperpolarizability; Electrophilicity; Electrostatic; Thermodynamics |
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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> |
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Publication, Distribution, Etc. |
Indian Journal of Pure & Applied Physics (IJPAP) 2022-11-07 10:51:32 |
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Electronic Location and Access |
application/pdf http://op.niscair.res.in/index.php/IJPAP/article/view/63930 |
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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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Language Note |
en |
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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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