Search Results - "Sultan, Asath Bahadur"

Efficient Photoreduction of Hexavalent Chromium Using the Reduced Graphene Oxide–Sm2MoO6–TiO2 Catalyst under Visible Light Illumination by Raja, Annamalai, Rajasekaran, Palani, Selvakumar, Karuppaiah, Arivanandhan, Mukannan, Asath Bahadur, Sultan, Swaminathan, Meenakshisundaram

“…In past years, the presence of toxic heavy metal ions in water and soil has caused major health problems. The ternary type semiconductor material, reduced…”
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One-step hydrothermal synthesis of transition metal oxide electrode material for energy storage applications by Siva, Vadivel, Murugan, Anbazhagan, Shameem, Abdul samad, Bahadur, Sultan Asath

“…Nanostructured CuO/ZnO composite has been prepared by hydrothermal method. The prepared nanocomposite has been investigated by various characterization…”
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Polymorphism in Chloride Salt of m-Nitroaniline: Structural, Spectroscopic, Thermal, Molecular Docking, Biological, and Quantum Chemical Computational Investigation by Thangarasu, Subramanian, Siva, Vadivel, Kannan, Sadasivam, Bahadur, Sultan Asath, Athimoolam, Shunmuganarayanan

“…The crystal structure of the compound 3-nitroanilinium chloride (3NAC) has been successfully obtained using the solvent evaporation solution growth method. The…”
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Electrical Impedance Studies on Sodium Ion Conducting Composite Blend Polymer Electrolyte by Vanitha, Duraikkan, Bahadur, Sultan Asath, Nallamuthu, Nallaperumal, Athimoolam, Shunmuganarayanan, Manikandan, A.

“…Sodium ion conducting polymer blend thin films are of technologically interesting due to the tuned physical and electrical properties with wide variety of…”
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Investigation of Phase Transition in Some Ferroelectrics Calcium and Zinc Doped Diammonium Dibromodichlorinate by Duraikkan, Vanitha, Bahadur, Sultan Asath, Nallamuthu, Nallaperumal, Athimoolam, Shunmuganarayanan, Manikandan, A.

“…Single crystals such as diammonium dibromodichloro calcinate(II), (NH4) 2 CaBr 2 Cl 2 , and diammonium dibromodichloro zincate(II), (NH4) 2 ZnBr 2 Cl 2 ,…”
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Conformational fidelity and hydrogen bond associability of L-histidine with sulfamate anion studied through XRD, quantum chemical, spectroscopic and molecular docking simulation as a cdk-4 inhibitor against retinoblastoma by Zochedh, Azar, Shunmuganarayanan, Athimoolam, Sultan, Asath Bahadur

“…•The single crystal L-Histidinium sulfamate was prepared and 3D structure is reported.•Theoretical molecular geometry, FT-IR and electronic spectrum were…”
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Observations into quantum simulation, spectroscopy, electronic properties, pharmacokinetics and molecular docking analysis of lawsone against breast cancer by Chandran, Kaliraj, Zochedh, Azar, Sultan, Asath Bahadur, Kathiresan, Thandavarayan

“…•Structural, spectroscopic and quantum chemical studies of lawsone was done through DFT computation and results were experimentally validated.•Electronic…”
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Solid state synthesis of zwitterionic cocrystal 5-fluorouracil L-phenylalanine explicated via structural, spectroscopy, quantum chemicals, Hirshfeld and docking analysis by Karuppasamy, Jayapriyanga, Zochedh, Azar, Shunmuganarayanan, Athimoolam, Sultan, Asath Bahadur

“…•5FUPA was characterized through XRD and FTIR and was validated theoretically.•Stability and reactivity were studied through FMO, MEP and NBO…”
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Optimization of adsorption and reaction time of SILAR deposited Cu2ZnSnS4 thin films: Structural, optical and electrochemical performance by Murugan, Anbazhagan, Siva, Vadivel, Shameem, Abdul samad, Bahadur, Sultan Asath

“…Nano-crystalline quaternary Cu2ZnSnS4 (CZTS) thin films have been deposited over the conducting and non-conducting substrates by SILAR method with different…”
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Investigation on structural, spectroscopic, DFT, biological activity and molecular docking simulation of essential oil Gamma-Terpinene by Zochedh, Azar, Priya, Mohana, Shunmuganarayanan, Athimoolam, Thandavarayan, Kathiresan, Sultan, Asath Bahadur

“…•The ground state optimization of the essential oil gamma terpinene was carried out.•The experimental and theoretical wavenumbers of the lead molecule were…”
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Molecular simulation of naringin combined with experimental elucidation – Pharmaceutical activity and Molecular docking against Breast cancer by Zochedh, Azar, Chandran, Kaliraj, Priya, Mohana, Sultan, Asath Bahadur, Kathiresan, Thandavarayan

“…•Optimization and quantum chemical calculation of the naringin was done through DFT/B3LYP with 6–311++G (d,p) basis set.•The spectroscopic analysis (FT-IR,…”
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Structural elucidation, hydrogen bonding motifs and solid state properties of p-toluenesulfonate salt of β-alaninine for optoelectronic device application by Suresh, Muthu, Siva, Vadivel, Bahadur, Sultan Asath, Athimoolam, Shunmuganarayanan

“…Single crystal of β-alaninium p-toluenesulfonate (BAPT) has been grown by solvent slow evaporation method. Crystal structure of the title compound has been…”
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Antitumor and antimicrobial effect of syringic acid urea cocrystal: Structural and spectroscopic characterization, DFT calculation and biological evaluation by Zochedh, Azar, Priya, Mohana, Shunmuganarayanan, Athimoolam, Sultan, Asath Bahadur, Kathiresan, Thandavarayan

“…•The syringic acid urea was crystallized and characterized through XRD.•The optimization of cocrystal was computed through DFT/B3LYP with 6–31++G (d,p) basis…”
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Improved electrochemical performance of nanostructured binder free Cu2CoSnS4 electrode using redox additive electrolyte by Murugan, Anbazhagan, Siva, Vadivel, Shameem, Abdul Samad, Bahadur, Sultan Asath

“…[Display omitted] •The nano crystalline Cu2CoSnS4 thin film electrode deposited by Successive ionic layer adsorption and reaction method.•The redox additive in…”
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Quantum chemical calculation, topological analysis, biological evaluation and molecular docking of allo‐ocimenol against breast cancer by Chandran, Kaliraj, Zochedh, Azar, Sukumaran, Sureba, Sultan, Asath Bahadur, Kathiresan, Thandavarayan

“…The main aim of this study is to identify the structural stability of allo‐ocimenol and its molecular reactivity against breast cancer‐associated proteins to…”
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Exploring the co‐activity of FDA approved drug gemcitabine and docetaxel for enhanced anti‐breast cancer activity: DFT, docking, molecular dynamics simulation and pharmacophore studies by Sukumaran, Sureba, Zochedh, Azar, Chandran, Kaliraj, Sultan, Asath Bahadur, Kathiresan, Thandavarayan

“…Combining FDA‐approved medications may increase biological activity by simultaneously targeting many protein mechanisms while being less toxic. Gemcitabine and…”
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Synthesis, structural elucidation, thermal, mechanical, linear and nonlinear optical properties of hydrogen bonded organic single crystal guanidinium propionate for optoelectronic device application by Vadivel, Siva, Sultan, Asath Bahadur, Abdul Samad, Shameem, Shunmuganarayanan, Athimoolam, Muthu, Raja

“…[Display omitted] •A hydrogen bonded single crystal of Guanidinium Propionate has been grown by slow evaporation technique.•The grown crystal was characterized…”
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Experimental and Computational Evaluation of Syringic Acid - Structural, Spectroscopic, Biological Activity and Docking Simulation by Zochedh, Azar, Priya, Mohana, Chakaravarthy, Cibe, Sultan, Asath Bahadur, Kathiresan, Thandavarayan

“…The single crystal of syringic acid was crystallized by slow evaporation technique and characterized using XRD, FTIR, FT-Raman, and UV-Vis spectroscopy. XRD…”
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Quantum Chemical Investigation, Drug-Likeness and Molecular Docking Studies on Galangin as Alpha-Synuclein Regulator for the Treatment of Parkinson’s Disease by Priya, Mohana, Zochedh, Azar, Arumugam, Karthick, Sultan, Asath Bahadur

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Integrating simulated and experimental studies on novel single crystal bis(guanidininium) n-carboxylatephenylalanine towards enhanced antitumor effect by Zochedh, Azar, Shunmuganarayanan, Athimoolam, Ansar, Sabah, Kumar, Yedluri Anil, Sultan, Asath Bahadur

“…•GUPA was synthesized as single crystal characterized by XRD analysis.•Quantum chemical studies were performed for GUPA through DFT/6–311++G(d,p).•TD-DFT was…”
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