Spectroscopic, antimicrobial and computational study of novel benzoxazole derivative Fulltext Access 38 Pages 2019
1D polymeric copper(I) complex [Cu2(μ-(2,6-Cl-ba)2en)(μ-I)2]n with exceptionally short CuCu distance: Synthesis, characterization, thermal study and crystal structure Fulltext Access 4 Pages 2017
Research ArticleAn in-silico approach to find a peptidomimetic targeting extracellular domain of HER3 from a HER3 Nanobody Fulltext Access 4 Pages 2017
Synthesis, crystal structures and spectral characterization of chiral 4-R-1,2,4-triazoles Fulltext Access 5 Pages 2017
Potentiometric and DFT studies of Cu(II) complexes with glycylglycine and methionine of interest for the brain chemistry Fulltext Access 5 Pages 2017
Visualizing the nanoscale: protein internal dynamics and neutron spin echo spectroscopy Fulltext Access 5 Pages 2017
Multi-Component synthesis and computational studies of three novel thio-barbituric acid carbohydrate derivatives Fulltext Access 5 Pages 2017
Algorithm NoteSimultaneous estimation of detection sensitivity and absolute copy number from digital PCR serial dilution Fulltext Access 5 Pages 2017
Temperature dependence of the damping constant and the relaxation time close to the tetragonal-cubic phase transition in SrZrO3 Fulltext Access 6 Pages 2017
The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex Fulltext Access 6 Pages 2017
A spectroscopic and molecular docking approach on the binding of tinzaparin sodium with human serum albumin Fulltext Access 6 Pages 2017
Synthesis, characterization and structural study of mercury(II) complexes with fluoroalkylthiocarbamates Fulltext Access 6 Pages 2017
Cocrystallization out of the blue: dl-mandelic acid/ethyl-dl-mandelate cocrystal Fulltext Access 6 Pages 2017
Synthesis, spectroscopic characterization and solution behavior of new tin tetrachloride adducts with γ-keto allyl phosphonates Fulltext Access 6 Pages 2017
Synthesis of a new π-conjugated redox oligomer: Electrochemical and optical investigation Fulltext Access 6 Pages 2017
Unilaminar follicular cells transiently express galectin-3 during ovarian folliculogenesis in pigs Fulltext Access 6 Pages 2017
Synthesis, characterization and biological activity of Rhein-cyclodextrin conjugate Fulltext Access 6 Pages 2017
Isolation and spectroscopic characterization of Zn(II), Cu(II), and Pd(II) complexes of 1,3,4-thiadiazole-derived ligand Fulltext Access 7 Pages 2017
Structural and magnetic properties of calcium doped nickel ferrite nanoparticles by co-precipitation method Fulltext Access 7 Pages 2017
Spectroscopic study on the inclusion complexes of β-cyclodextrin with selected metabolites of catecholamines Fulltext Access 7 Pages 2017
Syntheses, crystal structures, electronic spectra and magnetic properties of two ion-pair charge transfer complexes based on [Ni(mnt)2]− Fulltext Access 7 Pages 2017
Osmotic Shock Induced Protein Destabilization in Living Cells and Its Reversal by Glycine Betaine Fulltext Access 7 Pages 2017
Synthesis, structural characterization and antibacterial activity of cotton fabric modified with a hydrogel containing barium hexaferrite nanoparticles Fulltext Access 7 Pages 2017
Trehalose Effect on Low Temperature Protein Dynamics: Fluctuation and Relaxation Phenomena Fulltext Access 7 Pages 2017
Non-covalent interactions in 2-methylimidazolium copper(II) complex (MeImH)2[Cu(pfbz)4]: Synthesis, characterization, single crystal X-ray structure and packing analysis Fulltext Access 7 Pages 2017
Sequence Specificity in the Entropy-Driven Binding of a Small Molecule and a Disordered Peptide Fulltext Access 8 Pages 2017
Six complexes based on bis(imidazole/benzimidazole-1-yl)pyridazine ligands: Syntheses, structures and properties Fulltext Access 8 Pages 2017
Revisiting the Structure of Hemoglobin and Myoglobin with Cryo-Electron Microscopy Fulltext Access 8 Pages 2017
Synthesis and characterization of d10 metal complexes of 3-Me-5-FcPz: Structural, theoretical and third order nonlinear optical properties Fulltext Access 8 Pages 2017
Characterization of π-stacking interactions between aromatic amino acids and quercetagetin Fulltext Access 8 Pages 2017
Research ArticleAn exponential Galerkin method for solutions of HIV infection model of CD4+ T-cells Fulltext Access 8 Pages 2017
Experimental (X-ray, IR and UV–vis.) and DFT studies on cocrystallization of two tautomers of a novel Schiff base compound Fulltext Access 8 Pages 2017
Oligomeric synthesis and density functional theory of leucoemeraldine base form of polyaniline Fulltext Access 8 Pages 2017
Structural analysis and transformation of biosilica during lignocellulose fractionation of rice straw Fulltext Access 8 Pages 2017
Synthesis, spectroscopic characterization and DFT calculations of monohydroxyalkylated derivatives of 1-phenyl-2H,6H-imidazo[1,5-c]quinazoline-3,5-dione Fulltext Access 8 Pages 2017
Research article2,4-Ditellurouracil and its 5-fluoro derivative: Theoretical investigations of structural, energetics and ADME parameters Fulltext Access 8 Pages 2017
Keto-enol tautomerism of (E)-2-[(3,4-dimethylphenylimino)methyl]-4-nitrophenol: Synthesis, X-ray, FT-IR, UV–Vis, NMR and quantum chemical characterizations Fulltext Access 8 Pages 2017
Bio-important antipyrine derived Schiff bases and their transition metal complexes: Synthesis, spectroscopic characterization, antimicrobial, anthelmintic and DNA cleavage investigation Fulltext Access 8 Pages 2017
Cu(I)-N heterocyclic carbene complexes: Synthesis, catalysis and DFT studies Fulltext Access 8 Pages 2017
Chloride salt of conducting polyaniline synthesized in the presence of CeO2: Structural analysis of the core-shell nanocomposite Fulltext Access 8 Pages 2017
Two novel two-dimensional copper(II) coordination polymers with 1-(4-aminobenzyl)-1,2,4-triazole: Synthesis, crystal structure, magnetic characterization and absorption of anion pollutants Fulltext Access 8 Pages 2017
Synthesis, crystal structure, characterization and electrochemical properties of a new cyclohexaphosphate: Li2Na2CoP6O18·12H2O Fulltext Access 8 Pages 2017
Spectra-structure correlation based study of complex molecules of 1-isonicotinoyl-3-thiosemicarbazide with Ni2+, Mn2+ and Fe3+ using Raman, UV–visible and DFT techniques Fulltext Access 9 Pages 2017
Crystal structure, vibrational and magnetic properties of the monohydrated cobalt (II) complex with 1-(4-Nitrophenyl)-1H-imidazolium cation, (C9H8N3O2)2CoCl4·H2O Fulltext Access 9 Pages 2017
Experimental and quantum chemical studies on the molecular structure of 3,3,3-trifluoropropane-1-sulfonyl chloride: CF3CH2CH2SO2Cl Fulltext Access 9 Pages 2017
Synthesis and photochromic properties of thiolated N-salicylidene-anilines on silver nanoparticles Fulltext Access 9 Pages 2017
X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde Fulltext Access 9 Pages 2017
An unexpected reaction pathway in the synthesis of the ABCE framework of strychnine-type alkaloids – A multidisciplinary study Fulltext Access 9 Pages 2017
Synthesis, crystal structure, experimental and theoretical investigations of 3-(4-ethoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one Fulltext Access 9 Pages 2017
Dynamic Collision-Induced Dissociation (DCID) in a Quadrupole Ion Trap Using a Two-Frequency Excitation Waveform: II. Effects of Frequency Spacing and Scan Rate Fulltext Access 9 Pages 2017
Synthesis and structural characterization of new oxovanadium(IV) complexes derived from azo-5-pyrazolone with prospective medical importance Fulltext Access 9 Pages 2017
Physical, structural and optical characterization of silicate modified bismuth-borate-tellurite glasses Fulltext Access 9 Pages 2017
Understanding enzyme function evolution from a computational perspective Fulltext Access 9 Pages 2017
Structural, microstructural, optical, and dielectric properties of Mn2+: Willemite Zn2SiO4 nanocomposites obtained by a sol-gel method Fulltext Access 9 Pages 2017
Mathematical Analysis and Quantification of Fluorescent Proteins as Transcriptional Reporters Fulltext Access 10 Pages 2017
Synthesis, crystal structure and luminescence properties of acenaphthene benzohydrazide based ligand and its zinc(II) complex Fulltext Access 10 Pages 2017
Research ArticleA L1-regularized feature selection method for local dimension reduction on microarray data Fulltext Access 10 Pages 2017
Theoretical and spectroscopic (FT-IR, NMR and UV–Vis.) characterizations of 3-p-chlorobenzyl-4-(4-carboxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one molecule Fulltext Access 10 Pages 2017
Reactivity of Zinc Finger Cysteines: Chemical Modifications Within Labile Zinc Fingers in Estrogen Receptor Fulltext Access 10 Pages 2017
Structural and molecular docking studies of biologically active mercaptopyrimidine Schiff bases Fulltext Access 10 Pages 2017
A spectroscopic study on new phthalonitrile derivative and its computational background: 4-[(4,5-Diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzene-phthalonitrile Fulltext Access 10 Pages 2017
Synthesis and spectral characterization of 2-((2-hydroxybenzylidene)amino)-2-methylpropane-1,3-diol derived complexes: Molecular docking and antimicrobial studies Fulltext Access 10 Pages 2017
Synthesis of a new heterocyclic Schiff base ligand “(E)-5-benzoyl-4-phenyl-1-((pyridin-2-ylmethylene) amino) pyrimidin-2(1H)-one”: An experimental and computational modeling study Fulltext Access 10 Pages 2017
Molecular conformational analysis, reactivity, vibrational spectral analysis and molecular dynamics and docking studies of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione, a potential precursor to bioactive agent Fulltext Access 10 Pages 2017
Interaction of anthraquinone anti-cancer drugs with DNA:Experimental and computational quantum chemical study Fulltext Access 10 Pages 2017
Synthesis and characterization of two new hydroxamic acids derivatives and their metal complexes. An investigation on the keto/enol, E/Z and hydroxamate/hydroximate forms Fulltext Access 10 Pages 2017
Performance and stability of low-cost dye-sensitized solar cell based crude and pre-concentrated anthocyanins: Combined experimental and DFT/TDDFT study Fulltext Access 11 Pages 2017
Spectroscopic characterization, antimicrobial activity, DFT computation and docking studies of sulfonamide Schiff bases Fulltext Access 11 Pages 2017
Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives Fulltext Access 11 Pages 2017
Design of new metal complexes of 2-(3-amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl)aceto-hydrazide: Synthesis, characterization, modelling and antioxidant activity Fulltext Access 11 Pages 2017
Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations Fulltext Access 12 Pages 2017
1-[(5-Benzyl-1,3-thiazol-2-yl)diazenyl]naphthalene-2-ol: X-ray structure, spectroscopic characterization, dissociation studies and application in mercury(II) detection Fulltext Access 12 Pages 2017
Behaviour of complexes of f–elements in the environment – An experimental and theoretical analysis Fulltext Access 13 Pages 2017
Finite Element Solution of the Steady-State Smoluchowski Equation for Rate Constant Calculations Fulltext Access 13 Pages 2017
Spectral investigations, DFT based global reactivity descriptors, Inhibition efficiency and analysis of 5-chloro-2-nitroanisole as π-spacer with donor-acceptor variations effect for DSSCs performance Fulltext Access 14 Pages 2017
FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations Fulltext Access 14 Pages 2017
Synthesis, molecular structure, DFT studies and antimicrobial activities of some novel 3-(1-(3,4-dimethoxyphenethyl)-4,5-diphenyl-1H-imidazol-2-yl)-1H-indole derivatives and its molecular docking studies Fulltext Access 14 Pages 2017
Synthesis, stereochemistry determination, pharmacological studies and quantum chemical analyses of bisthiazolidinone derivative Fulltext Access 15 Pages 2017
A study of structural differences between TBM patients' and non-TBM persons' CSF using UV–Vis absorption spectroscopy Fulltext Access 4 Pages 2016
The stereochemistry of baishouwubenzophenone, a unique atropisomer from C. wilfordii Fulltext Access 4 Pages 2016
Encapsulation of one-dimensional cation chains into pseudo-channels by varying monomers with opposite charge Fulltext Access 4 Pages 2016
Porous tetrahedral Zn(II)-tetrazolate framework with highly adsorption selectivity of CO2 over N2 Fulltext Access 4 Pages 2016
Near-infrared (NIR) monitoring of Nylon 6 during quenching studied by projection two-dimensional (2D) correlation spectroscopy Fulltext Access 4 Pages 2016
Porous pcu-type Zn(II) framework material with high adsorption selectivity for CO2 over N2 Fulltext Access 4 Pages 2016
Thermal and biological properties of the Schiff base N,N′-bis(salicylidene)-1,2-phenylenediamine, a potential adjuvant to antibiotic therapy Fulltext Access 4 Pages 2016
Synergistic role of simultaneous PET/MRI-MRS in soft tissue sarcoma metabolism imaging Fulltext Access 4 Pages 2016
Facilitating the commercialization and use of organ platforms generated by the microphysiological systems (Tissue Chip) program through public–private partnerships Fulltext Access 4 Pages 2016
Deep brain stimulation versus motor cortex stimulation for neuropathic pain: A minireview of the literature and proposal for future research Fulltext Access 4 Pages 2016
MD-CTS: An integrated terminology reference of clinical and translational medicine Fulltext Access 4 Pages 2016
Common integration sites of published datasets identified using a graph-based framework Fulltext Access 4 Pages 2016
Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein Fulltext Access 4 Pages 2016