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Energy efficient methane tri-reforming for synthesis gas production over highly coke resistant nanocrystalline Ni–ZrO2 catalyst

Applied energy, 2016-09, Vol.178, p.110-125

2016

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Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies

Journal of molecular structure, 2021-01, Vol.1224, p.129021, Article 129021

2021

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Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer)

Molecules (Basel, Switzerland), 2023-02, Vol.28 (5), p.2116

2023

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Insight into Metabolomic Profiling of Tinospora cordifolia: Recent Advances and Future Perspectives of Quality Control

World Journal of Traditional Chinese Medicine, 2024-05, Vol.10 (2), p.137-148

2024

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Uncovering the cytotoxic effects of air pollution with multi-modal imaging of in vitro respiratory models

Royal Society open science, 2023-04, Vol.10 (4), p.221426-221426

2023

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Unveiling the Latest Breakthroughs: A Comprehensive Review of the Therapeutic Activity and Safety Profile of Aloe vera

Current drug safety, 2024-01, Vol.19 (4), p.407-416

2024

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Therapeutic potential of baicalein against neurodegenerative diseases: An updated review

Health sciences review (Oxford, England), 2024-06, Vol.11, p.100172, Article 100172

2024

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Synthesis, crystal structure, DFT, Hirshfeld surface, 3D energy frameworks analysis and molecular docking of pyrimidine derivative: A theoretical and experimental approach

Chemical physics impact, 2023-12, Vol.7, p.100345, Article 100345

2023

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Production and Characterization of Cellulose Nanofibers from Wood Pulp

Journal of adhesion science and technology, 2011-01, Vol.25 (6-7), p.709-721

2011

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Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid

Crystals (Basel), 2022-03, Vol.12 (3), p.337

2022

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Surgical Aortic Valve Replacement to Treat Prosthetic Valve Endocarditis After Valve-in-Valve Transcatheter Aortic Valve Replacement

Curēus (Palo Alto, CA), 2023-04

2023

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Quantum computational, spectroscopic characterization, Hirshfeld analysis & molecular docking studies on p-toluenesulfonic acid (p-TSA) or tosylic acid

Chemical physics impact, 2023-12, Vol.7, p.100320, Article 100320

2023

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Breaking Bad: a case of Lactobacillus bacteremia and liver abscess

Journal of community hospital internal medicine perspectives, 2019-05, Vol.9 (3), p.235-239

2019

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Ticks and salt: an atypical case of neuroborreliosis

Journal of community hospital internal medicine perspectives, 2017-11, Vol.7 (6), p.358-362

2017

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Experimental spectroscopic and quantum computational analysis of pyridine-2,6-dicarboxalic acid with molecular docking studies

Journal of molecular structure, 2021-12, Vol.1245, p.131046, Article 131046

2021

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Exploring role of natural compounds in molecular alterations associated with brain ageing: A perspective towards nutrition for ageing brain

Ageing research reviews, 2024-06, Vol.97, p.102282, Article 102282

2024

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Linagliptin, a DPP-4 inhibitor, ameliorates Aβ (1−42) peptides induced neurodegeneration and brain insulin resistance (BIR) via insulin receptor substrate-1 (IRS-1) in rat model of Alzheimer's disease

Neuropharmacology, 2021-09, Vol.195, p.108662, Article 108662

2021

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Synthesis, computational, spectroscopic, hirshfeld surface, electronic state and molecular docking studies on diethyl-5-amino-3-methylthiophene-2,4-dicarboxylate

Chemical physics letters, 2021-12, Vol.784, p.139103, Article 139103

2021

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Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole

Journal of molecular structure, 2021-12, Vol.1245, p.131118, Article 131118

2021

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Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride

Journal of molecular structure, 2022-02, Vol.1249, p.131571, Article 131571

2022

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Studies of synergy between metal–support interfaces and selective hydrogenation of HMF to DMF in water

Journal of catalysis, 2016-08, Vol.340, p.248-260

2016

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DFT, Molecular Docking, Molecular Dynamics Simulation, MMGBSA Calculation and Hirshfeld Surface Analysis of 5-Sulfosalicylic Acid

Journal of molecular structure, 2023-02, Vol.1273, p.134242, Article 134242

2023

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Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichloride

Journal of molecular structure, 2022-10, Vol.1265, p.133374, Article 133374

2022

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Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug

Journal of molecular liquids, 2022-01, Vol.346, p.117150, Article 117150

2022

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Dimeric ZnII complex of carboxylate-appended (2-pyridyl)alkylamine ligand and exploration of experimental, theoretical, molecular docking and electronic excitation studies of ligand

Journal of molecular structure, 2023-03, Vol.1276, p.134715, Article 134715

2023

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Energy efficient methane tri-reforming for synthesis gas production over highly coke resistant nanocrystalline Ni–ZrO2 catalyst

Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies

Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer)

Insight into Metabolomic Profiling of Tinospora cordifolia: Recent Advances and Future Perspectives of Quality Control

Uncovering the cytotoxic effects of air pollution with multi-modal imaging of in vitro respiratory models

Unveiling the Latest Breakthroughs: A Comprehensive Review of the Therapeutic Activity and Safety Profile of Aloe vera

Therapeutic potential of baicalein against neurodegenerative diseases: An updated review

Synthesis, crystal structure, DFT, Hirshfeld surface, 3D energy frameworks analysis and molecular docking of pyrimidine derivative: A theoretical and experimental approach

Production and Characterization of Cellulose Nanofibers from Wood Pulp

Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid

Surgical Aortic Valve Replacement to Treat Prosthetic Valve Endocarditis After Valve-in-Valve Transcatheter Aortic Valve Replacement

Quantum computational, spectroscopic characterization, Hirshfeld analysis & molecular docking studies on p-toluenesulfonic acid (p-TSA) or tosylic acid

Breaking Bad: a case of Lactobacillus bacteremia and liver abscess

Ticks and salt: an atypical case of neuroborreliosis

Experimental spectroscopic and quantum computational analysis of pyridine-2,6-dicarboxalic acid with molecular docking studies

Exploring role of natural compounds in molecular alterations associated with brain ageing: A perspective towards nutrition for ageing brain

Linagliptin, a DPP-4 inhibitor, ameliorates Aβ (1−42) peptides induced neurodegeneration and brain insulin resistance (BIR) via insulin receptor substrate-1 (IRS-1) in rat model of Alzheimer's disease

Synthesis, computational, spectroscopic, hirshfeld surface, electronic state and molecular docking studies on diethyl-5-amino-3-methylthiophene-2,4-dicarboxylate

Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole

Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride

Studies of synergy between metal–support interfaces and selective hydrogenation of HMF to DMF in water

DFT, Molecular Docking, Molecular Dynamics Simulation, MMGBSA Calculation and Hirshfeld Surface Analysis of 5-Sulfosalicylic Acid

Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichloride

Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug

Dimeric ZnII complex of carboxylate-appended (2-pyridyl)alkylamine ligand and exploration of experimental, theoretical, molecular docking and electronic excitation studies of ligand

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