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Imidazole-Based Alkaloids from Marine Sponges (Leucetta and Clathrina) as Potential Inhibitors Targeting SARS-CoV-2 Main Protease: An In Silico Approach

Polycyclic aromatic compounds, 2024-02, Vol.44 (2), p.897-912

2024

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Synthesis, Single-Crystal XRD, Spectral and Computational Analysis of 2-(3,4-Dimethoxyphenyl)-1H-Phenanthro[9,10-d] Imidazole as Electron-Transport and NLO Material

Polycyclic aromatic compounds, 2023-07, Vol.43 (6), p.4924-4937

2023

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The synthesis of 3-ethyl-5-methyl-2,6-diarylpiperidin-4-on-1-ium picrates and their spectral, XRD and theoretical studies

New journal of chemistry, 2019-07, Vol.43 (27), p.113-1114

2019

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3,5-Diethyl-2r,6c-di(4-chlorophenyl)piperidin-4-one picrate: synthesis, spectral, biological, DFT, ADME and molecular docking studies

Molecular physics, 2022-12, Vol.120 (24)

2022

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Synthesis, spectral characterisations of 3t-pentyl-2r,6c-diarylpiperidin-4-one oxime picrates: DFT studies and potent anti-microbial agents

Molecular physics, 2022-09, Vol.120 (18)

2022

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Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl)oxy)imino)ethyl)-2H-chromen-2-one

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-06, Vol.144, p.29-42

2015

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Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-09, Vol.148, p.189-202

2015

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Spectroscopic (FT-IR, FT-Raman) and quantum mechanical studies of 3t-pentyl-2r,6c-diphenylpiperidin-4-one thiosemicarbazone

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.136, p.782-792

2015

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Optimization of electron distribution for enhancing the SHG output using electron withdrawing substituents: evidence from imidazole-picrate hybrid model

Journal of molecular structure, 2023-03, Vol.1276, p.134726, Article 134726

2023

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Design, synthesis, structural characterization, non-linear optical and computational studies of some 3t-butyl-2r,6c-diarylpiperidin-4-on-1-ium picrates

Journal of molecular structure, 2023-02, Vol.1274, p.134476, Article 134476

2023

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Designing and docking studies of imidazole-based drugs as potential inhibitors of myeloperoxidase (MPO) mediated inflammation and oxidative stress

Biocatalysis and agricultural biotechnology, 2022-08, Vol.43, p.102421, Article 102421

2022

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Synthesis, spectral characterization (FT-IR, NMR, XRD) and computational studies of chloroacetyl chloride incorporated 3t-butyl-2r,6c-diphenyl/di(thiophen-2-yl)piperidin-4-ones

Journal of molecular structure, 2020-01, Vol.1200, p.127076, Article 127076

2020

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Synthesis, spectroscopic (UV–Vis, FT-IR and NMR), single crystal XRD of 3,5-diethyl -2,6-di(thiophen-2-yl)piperidin-4-on-1-ium picrate: A comprehensive experimental and computational study

Journal of molecular structure, 2017-01, Vol.1128, p.268-278

2017

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Synthesis, single crystal X-ray, spectroscopic (FT-IR, UV–vis, fluorescence, 1H &13C NMR), computational (DFT/B3LYP) studies of some imidazole based picrates

Journal of molecular structure, 2018-04, Vol.1158, p.277-285

2018

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Synthesis, structural, optical and thermal studies on 3, 5-diethyl-2, 6-di (4-fluorophenyl)-4-oxopiperidinium chloride

Journal of molecular structure, 2017-02, Vol.1129, p.32-36

2017

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Synthesis, electronic structure investigation of 3-pentyl-2,6-di(furan-2-yl)piperidin-4-one by FT-IR, FT-Raman and UV–Visible spectral studies and ab initio/DFT calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-12, Vol.151, p.773-784

2015

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Molecular structure, vibrational spectral assignments (FT-IR and FT-Raman), UV-Vis, NMR, NBO, HOMO-LUMO and NLO properties of 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate based on DFT calculations

Journal of molecular structure, 2016-02, Vol.1105, p.225-237

2016

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Synthesis, spectral, stereochemical, single crystal XRD and biological studies of 3t-pentyl-2r,6c-diarylpiperidin-4-one picrate derivatives

Journal of molecular structure, 2014-10, Vol.1075, p.430-441

2014

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Posterior Sternoclavicular Joint Dislocation in Children-Role of Spiral Computed Tomography

Pediatric emergency care, 2005-05, Vol.21 (5), p.325-326

2005

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Imidazole-Based Alkaloids from Marine Sponges (Leucetta and Clathrina) as Potential Inhibitors Targeting SARS-CoV-2 Main Protease: An In Silico Approach

Synthesis, Single-Crystal XRD, Spectral and Computational Analysis of 2-(3,4-Dimethoxyphenyl)-1H-Phenanthro[9,10-d] Imidazole as Electron-Transport and NLO Material

The synthesis of 3-ethyl-5-methyl-2,6-diarylpiperidin-4-on-1-ium picrates and their spectral, XRD and theoretical studies

3,5-Diethyl-2r,6c-di(4-chlorophenyl)piperidin-4-one picrate: synthesis, spectral, biological, DFT, ADME and molecular docking studies

Synthesis, spectral characterisations of 3t-pentyl-2r,6c-diarylpiperidin-4-one oxime picrates: DFT studies and potent anti-microbial agents

Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl)oxy)imino)ethyl)-2H-chromen-2-one

Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone

Spectroscopic (FT-IR, FT-Raman) and quantum mechanical studies of 3t-pentyl-2r,6c-diphenylpiperidin-4-one thiosemicarbazone

Optimization of electron distribution for enhancing the SHG output using electron withdrawing substituents: evidence from imidazole-picrate hybrid model

Design, synthesis, structural characterization, non-linear optical and computational studies of some 3t-butyl-2r,6c-diarylpiperidin-4-on-1-ium picrates

Designing and docking studies of imidazole-based drugs as potential inhibitors of myeloperoxidase (MPO) mediated inflammation and oxidative stress

Synthesis, spectral characterization (FT-IR, NMR, XRD) and computational studies of chloroacetyl chloride incorporated 3t-butyl-2r,6c-diphenyl/di(thiophen-2-yl)piperidin-4-ones

Synthesis, spectroscopic (UV–Vis, FT-IR and NMR), single crystal XRD of 3,5-diethyl -2,6-di(thiophen-2-yl)piperidin-4-on-1-ium picrate: A comprehensive experimental and computational study

Synthesis, single crystal X-ray, spectroscopic (FT-IR, UV–vis, fluorescence, 1H &13C NMR), computational (DFT/B3LYP) studies of some imidazole based picrates

Synthesis, structural, optical and thermal studies on 3, 5-diethyl-2, 6-di (4-fluorophenyl)-4-oxopiperidinium chloride

Synthesis, electronic structure investigation of 3-pentyl-2,6-di(furan-2-yl)piperidin-4-one by FT-IR, FT-Raman and UV–Visible spectral studies and ab initio/DFT calculations

Molecular structure, vibrational spectral assignments (FT-IR and FT-Raman), UV-Vis, NMR, NBO, HOMO-LUMO and NLO properties of 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate based on DFT calculations

Synthesis, spectral, stereochemical, single crystal XRD and biological studies of 3t-pentyl-2r,6c-diarylpiperidin-4-one picrate derivatives

Posterior Sternoclavicular Joint Dislocation in Children-Role of Spiral Computed Tomography

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