Search Results - "Siddiqui, Nazia"
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Energy efficient methane tri-reforming for synthesis gas production over highly coke resistant nanocrystalline Ni–ZrO2 catalyst
Published in Applied energy (15-09-2016)“…•Tri-reforming of methane is an energy efficient process to produce synthesis gas.•Nanocrystalline Ni–ZrO2 catalyst is prepared for tri-reforming of…”
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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)
Published in Molecules (Basel, Switzerland) (24-02-2023)“…For many decades, uracil has been an antineoplastic agent used in combination with tegafur to treat various human cancers, including breast, prostate, and…”
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Insight into Metabolomic Profiling of Tinospora cordifolia: Recent Advances and Future Perspectives of Quality Control
Published in World Journal of Traditional Chinese Medicine (01-04-2024)“…Abstract The objective of this study was to offer a review of previous works on Tinospora cordifolia (TC) metabolomics with a highlight on the use of…”
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4
Uncovering the cytotoxic effects of air pollution with multi-modal imaging of in vitro respiratory models
Published in Royal Society open science (12-04-2023)“…Annually, an estimated seven million deaths are linked to exposure to airborne pollutants. Despite extensive epidemiological evidence supporting clear…”
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Therapeutic potential of baicalein against neurodegenerative diseases: An updated review
Published in Health sciences review (Oxford, England) (01-06-2024)“…•The present work highlight the molecular the Pharmacological concept of neuroprotection exploration by Baicalein.•Multitargeted neuroprotective agents are…”
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A toxicological assessment of Ganoderma lucidum and Cordyceps militaris mushroom powders
Published in Frontiers in toxicology (30-10-2024)“…Gonoderma lucidum (G. lucidum) and Cordyceps militaris (C. militaris) are among the many mushrooms known for their long history of use in traditional medicine…”
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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
Published in Chemical physics impact (01-12-2023)“…Using X-ray diffraction, FT-IR, 1H, 13C NMR, and UV–Vis spectra as well as theoretical DFT calculations,…”
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Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid
Published in Crystals (Basel) (01-03-2022)“…Experimental and theoretical investigations on the optimized geometrical structure, electronic and vibrational features of…”
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Production and Characterization of Cellulose Nanofibers from Wood Pulp
Published in Journal of adhesion science and technology (01-01-2011)“…Cellulose nanofibers with a size range of 5-100 nm have the potential to be a low cost renewable material that has application in a range of products. However,…”
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Quantum computational, spectroscopic characterization, Hirshfeld analysis & molecular docking studies on p-toluenesulfonic acid (p-TSA) or tosylic acid
Published in Chemical physics impact (01-12-2023)“…•DFT and spectroscopic analysis of P-TSA•PED and MEP surface analysis of p-TSA.•FMO, UV-Vis analysis for charge transfer studies.•Molecular docking and…”
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Surgical Aortic Valve Replacement to Treat Prosthetic Valve Endocarditis After Valve-in-Valve Transcatheter Aortic Valve Replacement
Published in Curēus (Palo Alto, CA) (23-04-2023)“…Prosthetic valve endocarditis (PVE) is an uncommon complication after heart valve replacement surgery that can result in increased morbidity and mortality…”
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Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies
Published in Journal of molecular structure (15-01-2021)“…•The compound ampyra (4-aminopyridine) theoretically investigated by IR, raman and UV– vis spectroscopic tool.•The charge transfer with NBO and sp…”
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13
Breaking Bad: a case of Lactobacillus bacteremia and liver abscess
Published in Journal of community hospital internal medicine perspectives (04-05-2019)“…We present a case of a 46-year-old Hispanic male with a past medical history significant for uncontrolled diabetes presenting with abdominal pain, nausea and…”
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Ticks and salt: an atypical case of neuroborreliosis
Published in Journal of community hospital internal medicine perspectives (01-11-2017)“…It is well documented that central nervous system (CNS) infections may lead to syndrome of inappropriate anti-diuretic hormone secretion (SIADH), but…”
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Experimental spectroscopic and quantum computational analysis of pyridine-2,6-dicarboxalic acid with molecular docking studies
Published in Journal of molecular structure (05-12-2021)“…•Experimental and theoretical spectral characterization of 2,6 DPA have been done.•Hirshfeld Surface analysis, MEP surface, ELF diagram and NLO analysis…”
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Exploring role of natural compounds in molecular alterations associated with brain ageing: A perspective towards nutrition for ageing brain
Published in Ageing research reviews (01-06-2024)“…Aging refers to complete deterioration of physiological integrity and function. By midcentury, adults over 60 years of age and children under 15 years will…”
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Exploration of experimental and theoretical properties of 5,5-dimethyl 3-amino-cyclohex-2-en-1-one (AMINE DIMEDONE) by DFT/TD-DFT with ethanol and DMSO as solvents and molecular docking studies
Published in Journal of molecular liquids (15-09-2021)“…[Display omitted] •Experimental and theoretical spectral characterization has been done.•MEP surface, ELF diagram, NLO analysis and PED have been analyzed.•FMO…”
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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
Published in Neuropharmacology (01-09-2021)“…Alzheimer's disease (AD) is the most devastating neurodegenerative disorder, accounting over 46 million cases of dementia globally. Evidence supports that…”
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Synthesis, computational, spectroscopic, hirshfeld surface, electronic state and molecular docking studies on diethyl-5-amino-3-methylthiophene-2,4-dicarboxylate
Published in Chemical physics letters (01-12-2021)“…[Display omitted] •Synthesis, Experimental and theoretical spectral characterization of DAMC.•Hirshfeld, MEP surface, ELF diagram and NLO analysis…”
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DFT, Molecular Docking, Molecular Dynamics Simulation, MMGBSA Calculation and Hirshfeld Surface Analysis of 5-Sulfosalicylic Acid
Published in Journal of molecular structure (05-02-2023)“…•Experimental and theoretical spectral characterization of 5-SSA.•Hirshfeld surface analysis, MEP surface, ELF diagram explored.•FMO, UV–Vis analysis and…”
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