Co-crystal screening of disubstituted adamantane molecules with N-heterocyclic moieties for hydrogen-bonded arrays Fulltext Access 22 Pages 2019
Metyrapone-β-cyclodextrin supramolecular interactions inferred by complementary spectroscopic/spectrometric and computational studies Fulltext Access 22 Pages 2019
Magnetic and photophysical properties of new TbIII -based two-dimensional hydrogen-bonded polymer Fulltext Access 22 Pages 2019
Novel crystal forms of 4-aminoantipyrine and its derivatives: Co-crystallizing a reluctant molecule Fulltext Access 22 Pages 2019
Antibacterial study of 3-(2-amino-6-phenylpyrimidin-4-yl)-N-cyclopropyl-1-methyl-1H-indole-2-carboxamide derivatives: CoMFA, CoMSIA analyses, molecular docking and ADMET properties prediction Fulltext Access 22 Pages 2019
Bis(benzimidazole) as supramolecular building block in manganese(IV) chemistry Fulltext Access 23 Pages 2019
Synthesis and characterization of 1D and 2D cadmium(II)-2,2â²-bipyridine-N,Nâ²-dioxide coordination polymers bridged by pseudohalides Fulltext Access 23 Pages 2019
Structural, magnetic and AC susceptibility properties of Dy0.5(Sr1-xCax)0.5MnO3 (0 ⤠x ⤠0.3) manganites Fulltext Access 23 Pages 2019
Lenalidomide acesulfamate: Crystal structure, solid state characterization and dissolution performance Fulltext Access 23 Pages 2019
Synthesis, structural characterization and biological studies of new Schiff bases containing trimethylsilyl groups Fulltext Access 23 Pages 2019
Synthesis, characterization, X-ray diffraction study, in-vitro cytotoxicity, antibacterial and antifungal activities of nickel(II) and copper(II) complexes with acyl thiourea ligand Fulltext Access 23 Pages 2019
(1-x)BaFe12O19/ xCoFe2O4 hard/soft magnetic nanocomposites: Synthesis, physical characterization, and antibacterial activities study Fulltext Access 23 Pages 2019
Spectroscopic characterization, crystallographic elucidation and DFT investigation of 5-fluoro-6-(4-methylpiperazin-1-yl)benzo[d]thiazol-2-amine Fulltext Access 23 Pages 2019
Synthesis and photophysical studies of new organic-soluble lanthanide complexes of 4-(4-alkoxyphenyl)-2,2â²-bipyridine-6-carboxylic acids Fulltext Access 23 Pages 2019
Syntheses, crystal structures, spectroscopic properties and thermal decompositions of one dimensional coordination polymers with 4-(2-aminoethyl)pyridine and cyanide ligands: [M(μ-4aepy)2(H2O)2][Mâ²(CN)4] (M = Cu or Zn, M' = Ni or Pd) Fulltext Access 24 Pages 2019
Structure-fluorescence relationships in 2-aryl-5-(2â²-aminophenyl)-4-hydroxy-1,3-thiazoles Fulltext Access 24 Pages 2019
Unexpected oxidation of nitrendipine. Properties of oxidized nitrendipine and its Cu(II) complex Fulltext Access 24 Pages 2019
Syntheses, spectroscopy, electrochemistry, EPR, PXRD-structure and DFT/TD-DFT of bis[2-oxo-1-naphthaldehydato-κO,O']copper(II) Fulltext Access 24 Pages 2019
Effect of bromination on the optical limiting properties at 532â¯nm of BODIPY dyes with p-benzyloxystyryl groups at the 3,5-positions Fulltext Access 24 Pages 2019
Effect of temperature on gas sensing properties of lithium (Li) substituted (NiFe2O4) nickel ferrite thin film Fulltext Access 24 Pages 2019
A Copper(II) complex of a new hydrazone: A solid-state single source precursor for the preparation of both Cu and CuO nanoparticles Fulltext Access 24 Pages 2019
Synthesis, DFT and biological studies of novel 3,6-dimethyl-1,8-diphenyl-diazocino[3,4-c:7,8-c']bispyrazole Fulltext Access 25 Pages 2019
Spectral, structural, solvatochromism, biological and computational investigation of some new azo-azomethines containing N-alkylpyridinium salts Fulltext Access 25 Pages 2019
Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings Fulltext Access 25 Pages 2019
Synthesis, X-ray diffraction studies, thermal behavior and catalytic investigation of Cu(II) complexes for levulinic acid-based polyol esters Fulltext Access 25 Pages 2019
Metal chelates constructed from CdHal2 (Hal = Cl, Br, I) and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane Fulltext Access 25 Pages 2019
Optimized synthesis, characterization and in vitro systematic evaluation of adamantane-doxorubicin prodrugs sensitive to pH in breast cancer cells Fulltext Access 25 Pages 2019
Novel pyrano [3,2-b]xanthen-7(2H)-ones: Synthesis, antimicrobial, antioxidant and molecular docking studies Fulltext Access 25 Pages 2019
Optical and structural properties of Se80Te15Bi5/PVA nanocomposite films Fulltext Access 25 Pages 2019
Synthesis and characterization of Ru(III) complexes with 2-((E)-((4-((4-bromophenyl)ethynyl)phenyl)imino)methyl-4-((E)-phenyldiazenyl)phenol and their use as a precursor for RuO2 nanoparticles Fulltext Access 26 Pages 2019
Structural characterization of novel milk oligosaccharide Aurose from cow colostrum Fulltext Access 26 Pages 2019
Spectroscopic, structural and anticancer activity studies of (â)-cytisine halogenated N-benzyl derivatives Fulltext Access 26 Pages 2019
Enhancing lubricating oil properties using novel quinazolinone derivatives: DFT study and molecular dynamics simulation Fulltext Access 26 Pages 2019
Synthesis, structural study, magnetic susceptibility and antimicrobial activity of the first (μ-oxo)-bis(oxalato)-vanadium(IV) 1D coordination polymer Fulltext Access 26 Pages 2019
Simultaneous MR neurography and apparent T2 mapping in brachial plexus: Evaluation of patients with chronic inflammatory demyelinating polyradiculoneuropathy Fulltext Access 26 Pages 2019
Synthesis, molecular structure, and spectroscopic properties of tris[trans-diazidobis(2,2-dimethylpropane-1,3-diamine)chromium(III)]bis[tertaazido(2,2-dimethylpropane-1,3-diamine)chromium(III)] perchlorate Fulltext Access 26 Pages 2019
Silver nanoparticles synthesized using Allium ampeloprasum L. leaf extract: Characterization and performance in catalytic reduction of 4-nitrophenol and antioxidant activity Fulltext Access 26 Pages 2019
Synthesis, crystal structure analysis, spectral investigations (NMR, FT-IR, UV), DFT calculations, ADMET studies, molecular docking and anticancer activity of 2-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-4-(2-chlorophenyl)-6-methoxypyridine - A novel poten Fulltext Access 27 Pages 2019
Synthesis, spectroscopic investigation and biological activities of copper(II) complex of 2-(2,4-difluorophenyl)pyridine: A combined theoretical and experimental study Fulltext Access 27 Pages 2019
Synthesis, structure, photoluminescence and electrochemical properties of mononuclear Ag(I) and polymeric Zn(II) complexes of potassium 4-methyl piperazine-1-carbodithioate Fulltext Access 27 Pages 2019
Structure determination of oxamic acid from laboratory powder X-Ray diffraction data and energy minimization by DFT-D Fulltext Access 27 Pages 2019
Co(II), Ni(II) and Cu(II) ternary complexes with sulfadiazine and dimethylformamide: Synthesis, spectroscopic characterization, crystallographic study and antibacterial activity Fulltext Access 27 Pages 2019
Antiradical, antimicrobial and enzyme inhibition evaluation of sulfonamide derived esters; synthesis, X-Ray analysis and DFT studies Fulltext Access 27 Pages 2019
Multiple quantitative structure-activity relationships (QSARs) analysis for orally active trypanocidal N-myristoyltransferase inhibitors Fulltext Access 27 Pages 2019
Vibrational spectroscopy and X-ray study of three stilbene dyes combined with DFT calculations Fulltext Access 27 Pages 2019
Synthesis, experimental and theoretical studies on highly functionalized novel 4H-pyran-3-carboxylate Fulltext Access 27 Pages 2019
Synthesis, X-ray, spectroscopic characterization, DFT and antioxidant activity of 1,2,4-triazolo[1,5-a]pyrimidine derivatives Fulltext Access 28 Pages 2019
Elaboration and characterization of the inclusion complex between β-cyclodextrin and the anticholinesterase 2-oleyl-1,3-dipalmitoyl-glycerol extracted from the seeds of Platonia insignis MART Fulltext Access 28 Pages 2019
Synthesis and characterization of azathiaethers macrocyclic rings decorated with one or two 2-pyridylmethyl fragments Fulltext Access 28 Pages 2019
Phthalimide-1,2,3-triazole hybrid compounds as tyrosinase inhibitors; synthesis, biological evaluation and molecular docking analysis Fulltext Access 28 Pages 2019
Synthesis, molecular structure analyses and DFT studies on new asymmetrical azines based Schiff bases Fulltext Access 28 Pages 2019
An unusual werner type clathrate of Mn(II) benzoate involving energetically significant weak CHâ¯C contacts: A combined experimental and theoretical study Fulltext Access 28 Pages 2019
Synthesis, spectral characterization, crystallographic analysis, DFT studies, bioevaluation and anion exchange reactions of 1-(3-chlorophenyl)-4-(3-phenylseleno propyl) piperazinium chloride Fulltext Access 28 Pages 2019
Regioselective synthesis of novel α-ariloxy alcohols over silica-bonded 1,4-diaza-bicyclo[2.2.2]octane-acetic acid bromide as new catalyst Fulltext Access 29 Pages 2019
Synthesis, characterization, crystal structure determination and luminescence study of new linear coordination polymers based on Mercury(II), Cadmium(II) and 4,7-phenanthroline ligand Fulltext Access 29 Pages 2019
Spectroscopic investigations and molecular docking analysis of ML115: A potential molecular probe of the signal transducer and activator of transcription Fulltext Access 29 Pages 2019
Synthesis, crystal structure, 1H, 13C and 15N NMR studies, and biological evaluation of a new amidrazone-derived Au(III) complex Fulltext Access 29 Pages 2019
Influence of proline and β-Cyclodextrin in ketoconazole physicochemical and microbiological performance Fulltext Access 29 Pages 2019
4-(2-nitrophenylsulfonamido)benzoic acid and its tri-n-butyltin(IV) complex: X-ray structural characterization and Hirshfeld surface analysis Fulltext Access 30 Pages 2019
Synthesis, structure and DNA binding properties of a homodinuclear Cu(II) complex: An experimental and theoretical approach Fulltext Access 30 Pages 2019
Complexation of 2-amino-3-(4-hydroxyphenyl)-Nâ²-[(2-hydroxyphenyl) methylene] propane hydrazide with Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) ions: Structural characterization, DFT, DNA binding and antimicrobial studies Fulltext Access 30 Pages 2019
Structure elucidation, biological evaluation and molecular docking studies of 3-aminoquinolinium 2-carboxy benzoate- A proton transferred molecular complex Fulltext Access 30 Pages 2019
Crystal structure, non-covalent interaction and molecular docking studies of 2-{[2-phenylsulfonyl)hydrazinylidene]methyl}benzoic acid and its dysprosium catalysed cyclized product: 2-(phenyl-sulfonyl)phthalazin-1(2H)-one Fulltext Access 30 Pages 2019
Synthesis of imidazo [1, 2-a]pyridine-chalcones as potent inhibitors against A549â¯cell line and their crystal studies Fulltext Access 31 Pages 2019
Influence of solvents on the spectra of benzylidene malonitrile derivative and DFT calculations Fulltext Access 31 Pages 2019
Synthesis, characterization and biological activities of Ni(II), Cu(II) and UO2(VI) complexes of N'-((2Z,3E)-3-(hydroxyimino)butan-2-ylidene)-2-phenylacetohydrazide Fulltext Access 31 Pages 2019
Novel N-thioamide analogues of pyrazolylpyrimidine based piperazine: Design, synthesis, characterization, in-silico molecular docking study and biological evaluation Fulltext Access 31 Pages 2019
Linear, non-linear optical properties and reorganization energies of D- Ï-A star-shaped triazine derivatives: A DFT study Fulltext Access 31 Pages 2019
Fabrication and characterization of a novel easy recoverable and reusable Oligoazomethine-Pd(II) catalyst for Suzuki cross-coupling reactions Fulltext Access 31 Pages 2019
Design, synthesis, spectral, antibacterial activities and quantum chemical calculations of new Cu (II) complexes of heterocyclic ligands Fulltext Access 31 Pages 2019
Synthesis and DFT calculations of 2-thioxo-1,2-dihydropyridine-3-carbonitrile as versatile precursors for novel pharmacophoric hybrid molecules Fulltext Access 31 Pages 2019
Novel tetradentate Schiff base zinc(II) complex as a potential antioxidant and cancer chemotherapeutic agent: Insights from the photophysical and computational approach Fulltext Access 31 Pages 2019
The rotating stretched curved planar reconstruction of 3D-FIESTA MR imaging for evaluating the anterior cruciate ligament of the knee joint Fulltext Access 31 Pages 2019
Synthesis, characterization, electrochemical, electrical, thermal and ESIPT behaviour of oligobenzimidazoles of certain substituted benzimidazole carboxylic acids and their diode applications Fulltext Access 31 Pages 2019
Reactions of 2,3-dichloro-1,4-naphthoquinone with aminophenols: evidence for hydroxy benzophenoxazine intermediate and antibacterial activity Fulltext Access 31 Pages 2019
Synthesis, structures, drug-likeness, in vitro evaluation and in silico docking on novel N-benzoyl-Nâ²-phenyl thiourea derivatives Fulltext Access 32 Pages 2019
Restricted rotation around the methylene bridge of 5-(2-p-(chlorophenyl)benzimidazole-1-yl)methyl-4-(o-substitutedphenyl)-2,4-dihydro-[1,2,4]-triazole-3-thiones as evidenced by NMR, X-RAY and DFT studies and the importance of low energy rotational conform Fulltext Access 32 Pages 2019
Para-xylyl linked bis-imidazolium ionic liquids: A study of the conformers of the cation and of the anion-cation hydrogen bonding Fulltext Access 32 Pages 2019
Synthesis, structural studies, molecular docking and DNA binding studies of 4N-substituted hydrazinecarbothioamides Fulltext Access 32 Pages 2019
Synthesis, spectroscopic (UV-vis, FT-IR and NMR), solubility in various solvents, X-ray, NBO, NLO and FMO analysis of (L1) and [(L1)PdCl2] complex: A comprehensive experimental and computational study Fulltext Access 32 Pages 2019
A New phenoxido/trifluoroacetato bridged heterometallic NiII2CuII derivative: Structure, EPR interpretation and DFT computation Fulltext Access 32 Pages 2019
Synthesis, spectroscopic and X-ray structural characterization of two novel mixed-ligand lead(II) complexes Fulltext Access 33 Pages 2019
A correlative study between diffusion and perfusion MR imaging parameters on peripheral arterial disease data Fulltext Access 33 Pages 2019
Non-peripherally tetra substituted lead(II), nickel(II) and copper(II) phthalocyanines bearing [1,2,3] triazole moeties: Synthesis, characterization and investigation of electrochemical and spectroelectrochemical properties Fulltext Access 34 Pages 2019
Crosslink-free collagen from Cichla ocellaris: Structural characterization by FT-IR spectroscopy and densitometric evaluation Fulltext Access 34 Pages 2019
Synthesis, spectral and crystallographic study, DNA binding and molecular docking studies of homo dinuclear Co(II) and Ni(II) complexes Fulltext Access 35 Pages 2019
Cocrystals of pyrazinamide with p-toluenesulfonic and ferulic acids: DFT investigations and molecular docking studies Fulltext Access 36 Pages 2019
Limiting clutches for “turn-on” and “turn-off” chemosensors of 1,2-bis((E)-9-anthracenyl) methyleneamino)-9,10-anthraquinone Fulltext Access 36 Pages 2019
Synthesis, crystal structure, infrared spectroscopy, thermal analysis and Hirshfeld surface analysis of a new hemihydrate of [Zn (H2O) 6][{(CH2)6N4}ZnCl3]2·0.5H2O Fulltext Access 37 Pages 2019
Investigation of potential anti-malarial lead candidate 2-(4-fluorobenzylthio)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole: Insights from crystal structure, DFT, QTAIM and hybrid QM/MM binding energy analysis Fulltext Access 37 Pages 2019
Synthesis, characterization, anticancer properties and theoretical study of asymmetrical Cd(II)N2-Schiff base complexes Fulltext Access 37 Pages 2019
4D Flow MRI quantification of blood flow patterns, turbulence and pressure drop in normal and stenotic prosthetic heart valves Fulltext Access 37 Pages 2019
Synthesis and emissive properties of bi-directed azomethine iron(III) complexes based on salicylidene-4-biphenylcarboxylic acid Fulltext Access 37 Pages 2019
2D-COS-FTIR analysis of high molecular weight poly (N-vinyl carbazole) undergoing phase separation on purification and thermal annealing Fulltext Access 38 Pages 2019
Structural, vibrational and electronic absorption characteristics of the monohydrate organic salt of 2-amino-5-bromo-6-methyl-4-pyrimidinol and 2,3-pyrazinedicarboxylic acid: A combined experimental and computational study Fulltext Access 38 Pages 2019
Stereochemical investigation of N-formyl-2,7-diphenyl-1,4-diazepan-5-ones by NMR spectroscopy and single crystal X-ray diffraction studies Fulltext Access 39 Pages 2019
Structural and vibrational characteristics and vibronic coupling of tetramethyltetraselenafulvalene Fulltext Access 39 Pages 2019