Photoluminescence property and solvation studies on (E)-N-(pyrimidin-2yl)-4-((3,4,5-trimethoxy benzylidede) amino) benzene sulfonamide; Synthesis, structural, topological analysis, antimicrobial activity and molecular docking studies
暂无分享,去创建一个
[1] A. ul-Hamid,et al. La-Doped CeO2 Quantum Dots: Novel Dye Degrader, Antibacterial Activity, and In Silico Molecular Docking Analysis , 2023, ACS omega.
[2] S. Naz,et al. Cellulose Grafted Poly Acrylic Acid Doped Manganese Oxide Nanorods as Novel Platform for Catalytic, Antibacterial Activity and Molecular Docking Analysis , 2023, Surfaces and Interfaces.
[3] S. Naz,et al. Assessment of catalytic, antimicrobial and molecular docking analysis of starch-grafted polyacrylic acid doped BaO nanoparticles. , 2023, International journal of biological macromolecules.
[4] G. Thilagavathi,et al. Synthesis, structural, spectral, computational, docking and biological activities of Schiff base (E)-4-bromo-2-hydroxybenzylidene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide from 5-bromosalicylaldehyde and sulfadiazine , 2023, Journal of the Indian Chemical Society.
[5] G. Thilagavathi,et al. Synthesis, Computational, Electronic spectra, and molecular docking studies of 4-((diphenylmethylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide , 2023, Journal of the Indian Chemical Society.
[6] T. Shujah,et al. Comparative Study of Sonophotocatalytic, Photocatalytic, and Catalytic Activities of Magnesium and Chitosan-Doped Tin Oxide Quantum Dots , 2022, ACS omega.
[7] G. Thilagavathi,et al. Synthesis, computational, and molecular docking studies, photophysical properties of (Z)-N-(pyrimidin-2-yl)-4-(thiophen-2-ylmethylene)amino) benzenesulfonamide , 2022, Journal of the Indian Chemical Society.
[8] G. Thilagavathi,et al. Synthesis, computational, experimental antimicrobial activities and theoretical molecular docking studies of (E)-4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino)-N-(thiazole-2-yl) benzenesulfonamide , 2022, Journal of the Indian Chemical Society.
[9] Renjith Thomas,et al. Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic structure investigations , 2022, Journal of Molecular Liquids.
[10] G. Thilagavathi,et al. Synthesis, Electronic Structure, UV–Vis, Wave Function, and Molecular Docking Studies of Schiff Base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene)Amino)Benzenesulfonamide , 2022, Polycyclic Aromatic Compounds.
[11] S. Goumri‐Said,et al. Synthesis of Al/starch co-doped in CaO nanoparticles for enhanced catalytic and antimicrobial activities: experimental and DFT approaches , 2022, RSC advances.
[12] Renjith Thomas,et al. Synthesis, characterization, computational, excited state properties, wave function and molecular docking studies of (E)-1-(perfluorophenyl)-N-(p-tolyl) methanimine , 2022, Journal of the Indian Chemical Society.
[13] A. Kazachenko,et al. Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis , 2022, Journal of King Saud University - Science.
[14] Renjith Thomas,et al. Spectroscopic, Computational(DFT), Quantum mechanical studies and protein-ligand interaction of Schiff base 6,6-((1,2-phenylenebis(azaneylylidene))bis(methaneylylidene))bis(2-methoxyphenol) from o-phenylenediamine and 3- methoxysalicylaldehyde , 2022, Journal of the Indian Chemical Society.
[15] G. Thilagavathi,et al. Synthesis, structural, computational, electronic spectra, wave function properties and molecular docking studies of (Z)-4-(((5-methylfuran-2-yl)methylene)amino)-N-(thiazol-2-yl)benzenesulfonamide , 2022, Journal of the Indian Chemical Society.
[16] M. Mishchenko,et al. Synthesis, docking, and biological evaluation of novel 1-benzyl-4-(4-(R)-5-sulfonylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)pyrrolidin-2-ones as potential nootropic agents. , 2022, European journal of medicinal chemistry.
[17] D. Rajaraman,et al. One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1H-imidazole derivatives , 2022, Journal of Molecular Structure.
[18] A. Irfan,et al. Theoretical structural analysis (FT-IR, FT-R), solvent effect on electronic parameters NLOf, FMO, NBO, MEP, UV (IEFPCM model), Fukui function evaluation with pharmacological analysis on methyl nicotinate , 2022, Computational and Theoretical Chemistry.
[19] A. Zarrouk,et al. Tautomerization of diazene<=>hydrazine via single proton tautomerization, spectral, XRD/HSA-interactions, optical and DFT/TD-DFT of new hydrazine ligand , 2022, Journal of Molecular Structure.
[20] S. Balachandran,et al. STRUCTURAL INSIGHTS, SPECTRAL, FLOURESCENCE, Z-SCAN, C-H…O/N-H…O HYDROGEN BONDING AND AIM, RDG, ELF, LOL, FUKUI ANALYSIS, NLO ACTIVITY OF N-2(METHOXY PHENYL) ACETAMIDE , 2022, Journal of Molecular Structure.
[21] M. Taleb,et al. Eco-friendly synthesis, characterization, in-silico ADMET and molecular docking analysis of novel carbazole derivatives as antibacterial and antifungal agents , 2022, Journal of Molecular Structure.
[22] A. Budzianowski,et al. One Pot Efficient Synthesis of 1,3-di(Naphthalen-1-yl)Thiourea; X-Ray Structure, Hirshfeld Surface Analysis, Density Functional Theory, Molecular Docking and In-Vitro Biological Assessment , 2022, Journal of Molecular Structure.
[23] Marko M. Melander,et al. Electrocatalytic rate constants from DFT simulations and theoretical models: Learning from each other , 2022, Current Opinion in Electrochemistry.
[24] T. Sobahi,et al. Green synthesis of Chromonyl Chalcone and Pyrazoline as Potential Antimicrobial Agents - DFT, Molecular Docking and Antimicrobial Studies , 2022, Journal of Molecular Structure.
[25] N. Turan,et al. First Report of the Synthesis, Characterization, DFT Calculations of the New Oxoethyl Methacrylate and o-Acetamide and Evaluation of Antimicrobial, Antibiofilm and Antioxidant Effect , 2022, Polycyclic Aromatic Compounds.
[26] F. Tavares,et al. The impact of the adsorbent energy heterogeneities by multidimensional-multicomponent PC-SAFT-DFT , 2022, Fluid Phase Equilibria.
[27] Adedapo S. Adeyinka,et al. Synthesis, vibrational analysis, molecular property investigation, and molecular docking of new benzenesulphonamide-based carboxamide derivatives against Plasmodium falciparum , 2022, Journal of Molecular Structure.
[28] B. V. Reddy,et al. Investigation of Barrier Potential, Structure (Monomer & Dimer), Chemical Reactivity, NLO, MEP, and NPA Analysis of Pyrrole-2- Carboxaldehyde Using Quantum Chemical Calculations , 2022, Polycyclic Aromatic Compounds.
[29] A. Kaiba,et al. Synthesis, Antimicrobial Evaluation, Crystal Structure, Hirschfeld Surface Analysis and Docking Studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid , 2022, Journal of Molecular Structure.
[30] Samy F. Mahmoud,et al. Synthesis, structural features, excited state properties, flouresence spectra, and quantum chemical modeling of (E)-2-hydroxy-5-(((4-sulfamoylphenyl)imino) methyl)benzoic acid , 2022, Journal of Molecular Liquids.
[31] Samy F. Mahmoud,et al. Synthesis, characterization, vibrational analysis and computational studies of a new Schiff base from pentafluoro benzaldehyde and sulfanilamide , 2022, Journal of Molecular Structure.
[32] P. A. Suchetan,et al. Synthesis, characterization, antibacterial, antifungal and antithrombotic activity studies of new chiral selenated Schiff bases and their Pd complexes , 2022, Journal of Molecular Structure.
[33] Murat Yiğit,et al. Synthesis, spectroscopic characterization and antimicrobial properties of silyl-tethered benzimidazolium salts , 2022, Journal of Molecular Structure.
[34] Wenbin Wu,et al. Synthesis of novel naphthalene-chimonanthine scaffolds hybrids with potent antibacterial or antifungal activity , 2022, Natural Product Research.
[35] C. Anuradha,et al. Facile-Synthesis and Characterization of Cobalt Oxide (Co3O4) Nanoparticles by using Arishta leaves assisted Biological molecules and its Antibacterial and Antifungal activities , 2022, Journal of Molecular Structure.
[36] M. Karnan,et al. Synthesis, Experimental antimicrobial activity, Theoretical Vibrational analysis, quantum chemical modeling and Molecular Docking Studies of (E)-4-(benzylideneamino)benzenesulfonamide , 2022, Journal of Molecular Structure.
[37] G. Vinitha,et al. Synthesis, Structural-Spectral Characterization and Theoretical Studies of Pyridinium-4-carbohydrazide 2,4,6- trinitrophenolate , 2022, Journal of Molecular Structure.
[38] F. Gai,et al. Synthesis and Characterization of the Fluorescence Utility of Two Visible-Light-Absorbing Tryptophan Derivatives , 2022, Chemical Physics Letters.
[39] Renjith Thomas,et al. Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl)methylene)amino) benzenesulfonamide from 5-methyl-2-furaldehyde and sulfanilamide , 2022, Journal of the Indian Chemical Society.
[40] S. Chandrasekar,et al. Synthesis, XRD, Hirshfeld surface analysis, ESP, HOMO-LUMO, Quantum chemical modeling and Anticancer activity of di(p-methyl benzyl)(dibromo)(1,10-phenanthroline) tin(IV) complex , 2022, Inorganic Chemistry Communications.
[41] G. Ferreira,et al. Fourier Transform Infrared and Raman Spectra of the Complex Cation Diethyldithiocarbamate Cr(III) Di-hydrate, [Cr(DDTC)2(OH2)2]+. UV-Vis Spectrum, DFT:B3LYP/6-311G(d, p) Structural Determination, Vibrational and Natural Bond Orbital Analysis , 2022, Journal of Molecular Structure.
[42] N. Elangovan,et al. (E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV–Vis), Computational (DFT, HOMO–LUMO, MEP, NBO, NPA, ELF, LOL, RDG) and Molecular Docking Studies , 2022, Polycyclic Aromatic Compounds.
[43] Renjith Thomas,et al. Schiff base (Z)-4-((furan-2-ylmethylene)amino) benzenesulfonamide: Synthesis, solvent interactions through hydrogen bond, structural and spectral properties, quantum chemical modeling and biological studies , 2022, Journal of Molecular Liquids.
[44] I. Joe,et al. A combined experimental and quantum chemical study on molecular structure, spectroscopic properties and biological activity of anti-inflammatory Glucocorticosteroid drug, Dexamethasone , 2021 .
[45] S. Balachandran,et al. SPECTROSCOPIC AND QUANTUM CHEMICAL COMPUTATION ON MOLECULAR STRUCTURE, AIM, ELF, RDG, NCI, AND NLO ACTIVITY OF 4-VINYL BENZOIC ACID: A DFT APPROACH , 2021, Journal of Molecular Structure.
[46] R. More,et al. Synthesis, Spectral Analysis, Antibacterial, Antifungal, Antioxidant and Hemolytic Activity Studies of Some New 2,5-Disubstituted-1,3,4-Oxadiazoles , 2021, Journal of Molecular Structure.
[47] Arif Ali,et al. Facile synthesis, topological study, and adsorption properties of a novel Co (II)-based coordination polymer for adsorptive removal of methylene blue and methyl orange dyes , 2021, Polyhedron.
[48] Renjith Thomas,et al. Synthesis, Spectral Characterization, Electronic Structure and Biological Activity Screening of the Schiff Base 4-((4-Hydroxy-3-Methoxy-5-Nitrobenzylidene)Amino)-N-(Pyrimidin-2-yl)Benzene Sulfonamide from 5-Nitrovaniline and Sulphadiazene , 2021, Polycyclic Aromatic Compounds.
[49] A. Kumar,et al. Synthesis, structural investigation, computational study, antimicrobial activity and molecular docking studies of novel synthesized (E)-4-((pyridine-4-ylmethylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide from pyridine-4-carboxaldehyde and sulfadiazine , 2021 .
[50] Renjith Thomas,et al. Synthesis of Schiff base (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-thiazole-2-yl)benzenesulfonamide with antimicrobial potential, structural features, experimental biological screening and quantum mechanical studies , 2021, Journal of Molecular Structure.
[51] Renjith Thomas,et al. Synthesis, spectral and quantum mechanical studies and molecular docking studies of Schiff base (E)2-hydroxy-5-(((4-(N-pyrimidin-2-yl)sulfamoyl)phenyl)imino)methyl benzoic acid from 5-formyl salicylic acid and sulfadiazine , 2021 .
[52] S. Goumri‐Said,et al. h-BN nanosheets doped with transition metals for environmental remediation; a DFT approach and molecular docking analysis , 2021 .
[53] Renjith Thomas,et al. Synthesis of a versatile Schiff base 4-((2-hydroxy-3,5-diiodobenzylidene) amino) benzenesulfonamide from 3,5-diiodosalicylaldehyde and sulfanilamide, structure, electronic properties, biological activity prediction and experimental antimicrobial properties , 2021, Journal of Molecular Structure.
[54] N. Hedin,et al. Local energy decomposition analysis and molecular properties of encapsulated methane in fullerene (CH4@C60). , 2021, Physical chemistry chemical physics : PCCP.
[55] E. Jayasree,et al. Synthesis, spectral characterization and biological evaluations with DFT analysis on molecular geometry and NLO of 1,4,7,10-tetraazacyclotetradecane-11,14-dione , 2021 .
[56] D. Hadji,et al. Synthesis, spectroscopic characterization, crystal structure, Hirshfeld surface analysis, linear and NLO properties of new hybrid compound based on Tin fluoride oxalate and organic amine molecule (C12N2H9)2[SnF2(C2O4)2]2H2O , 2021, Journal of Molecular Structure.
[57] Can He,et al. Synthesis and characterization of Eu3+-doped RbCaLa(VO4)2 phosphors and influence of temperature on fluorescence properties , 2021, Ceramics International.
[58] N. Elangovan,et al. Synthesis, single crystal (XRD), Hirshfeld surface analysis, computational study (DFT) and molecular docking studies of (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-(pyrimidine)-2-yl) benzenesulfonamide , 2021, Heliyon.
[59] Lalitha A. Kolahalam,et al. Saussurea lappa plant rhizome extract-based zinc oxide nanoparticles: synthesis, characterization and its antibacterial, antifungal activities and cytotoxic studies against Chinese Hamster Ovary (CHO) cell lines , 2021, Heliyon.
[60] A. Ghaleb,et al. Synthesis, spectroscopic characterization (FT-IR, NMR) and DFT computational studies of new isoxazoline derived from acridone , 2021 .
[61] S. Muthu,et al. Speculative assessment, molecular composition, PDOS, topology exploration (ELF, LOL, RDG), ligand-protein interactions, on 5-bromo-3-nitropyridine-2-carbonitrile , 2021, Heliyon.
[62] S. Sebastian,et al. Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one , 2021 .
[63] M. Faizan,et al. FTIR and FT-Raman spectra of 6-(dimethylamino)purine and its theoretical studies of anharmonic vibrational analysis using quantum chemical calculations , 2021 .
[64] N. Benchat,et al. Synthesis, crystal structure, spectroscopic studies, NBO, AIM and SQMFF calculations of new pyridazinone derivative , 2021, Journal of Molecular Structure.
[65] N. Hioka,et al. Synthesis and characterization of 5(6)-carboxyfluorescein-conjugated F127 and 10R5 copolymers as potential water-soluble fluorescence probes , 2020 .
[66] S. Muthu,et al. Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies , 2020, Heliyon.
[67] N. Dege,et al. Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-2,6-Bis(4-Chlorophenyl)-3-Methylpiperidin-4-One , 2020, Journal of Chemical Crystallography.
[68] B. FathimaRizwana,et al. Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent , 2020, Comput. Biol. Chem..
[69] Vishnu Sankar Sivasankarapillai,et al. Green synthesis and characterization of zinc oxide nanoparticles with antibacterial and antifungal activity , 2020 .
[70] Róbert Izsák,et al. Local energy decomposition of coupled‐cluster interaction energies: Interpretation, benchmarks, and comparison with symmetry‐adapted perturbation theory , 2020, International Journal of Quantum Chemistry.
[71] Ramaiah Konakanchi,et al. Investigation of Structures, FTIR, FT-Raman, In Vivo Anti-Inflammatory, Molecular Docking and Molecular Characteristics of 2-Amino-3-Pyridine Carboxaldehyde and Its Copper(II) Complex Using Experimental and Theoretical Approach , 2020, Polycyclic Aromatic Compounds.
[72] S. S. Sreejith,et al. Synthesis, characterizations and single crystal structure of di-nuclear azido-bridged Cd(II) coordination polymer with Schiff base precursor (H2LpentOMe): DFT, fluorescence, solvatochromism and in vitro antimicrobial assay , 2019, Inorganica Chimica Acta.
[73] P. Magri,et al. Charge-transfer complexes of hypoglycemic sulfonamide with π-acceptors: Experimental and DFT-TDDFT studies , 2019, Journal of Molecular Structure.
[74] V. Dorcet,et al. Mono- and Diplatinum Polyynediyl Complexes as Potential Push–Pull Chromophores: Synthesis, Characterization, TD-DFT Modeling, and Photophysical and NLO Properties , 2018, Organometallics.
[75] F. Neese,et al. Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study , 2018, Beilstein journal of organic chemistry.
[76] M. J. Alam,et al. Anharmonic vibrational and electronic spectral study of 2-amino-4-hydroxy-6–methylpyrimidine: A combined experimental (FTIR, FT-Raman, UV–Vis) and theoretical (DFT, MP2) approach , 2017 .
[77] J. L. Rangel,et al. Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)2] complex. , 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[78] Frank Neese,et al. Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. , 2016, Journal of chemical theory and computation.
[79] N. Dege,et al. Vibrational spectroscopic studies, NMR, HOMO–LUMO, NLO and NBO analysis of 1-(2-nitrobenzoyl)-3,5-diphenyl-4,5-dihydro-1 H -pyrazole with use X-ray diffractions and DFT calculations , 2016 .
[80] Z. Demircioğlu,et al. The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile. , 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[81] R. Meenakshi,et al. Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree-Fock and DFT calculations. , 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[82] D. Avcı,et al. Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study , 2014 .
[83] J. L. Rangel,et al. Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex. , 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[84] V. Chiș,et al. FTIR, FT-Raman, SERS and DFT study on melamine , 2012 .
[85] M. Arivazhagan,et al. Molecular structure, vibrational spectroscopic, NBO, HOMO–LUMO and Mulliken analysis of 4-methyl-3-nitro benzyl chloride , 2012 .
[86] Tian Lu,et al. Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..
[87] T. Beaula,et al. Exploring the Antibacterial Activity of 1, 2 Diaminoethane Hexanedionic Acid by Spectroscopic, Electronic, ELF, LOL, RDG Analysis and Molecular Docking Studies using DFT method , 2022 .