Journal of Molecular Structure

Article	Citations
Editorial Board	230
Synthesis, characterization, non-linear optical and DNA binding properties of a Schiff base ligand and its Cu(II) and Zn(II) complexes	211
Synthesis, characterization, and antibacterial activity of dibenzildithiocarbamate derivates and Ni(II)–Cu(II) coordination compounds	163
Caffeic acid phenethyl ester (CAPE) Chitosan capped ZnO nanoparticles: Preparation, characterization, and its potential for the treatment of prostate cancer	138
Synthesis, crystal structure, antioxidant activity and molecular docking studies of 2-(1-(3-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl)malononitrile	124
A new 3D Cd(II) metal organic framework (MOF) as an efficient photocatalyst for nitrofurantoin antibiotic degradation	123
Design and synthesis of simple quinoline-based organic molecules as dual/multifunctional chemosensors for the detection of Cu2+/Fe3+ ions	114
Mechanochromic properties of acridine heterocyclic derivatives with a donor-acceptor configuration	103
Evaluation of the antioxidant activity for 2,3-dihydroquinazolin-4(1H)-one and derivatives. An experimental and theoretical study	103
Comparing Microcrystal Electron Diffraction (MicroED) and X-ray crystallography as methods for structure determination of Oseltamivir phosphate	100
The effect of halo-substituents on physical properties based on 1,3,5-triarylbenzenes: Synthesis, crystal structure and Hirshfeld surface	100
Noncovalent interactions and electron transfer between 1,3,5-trinitro-1,3,5-triazinane and Al3O3−	100
Chemical structure and ACE inhibitory activity of polysaccharide from Artemisia vulgaris L.	95
Structural regulation and photophysical insights into zero-dimensional organic copper(I) halides with thiophene-substituted phosphonium cation	95
Novel triphenylamine-pyrene-based AIEgens: Specific detection and imaging of H2O2 in aqueous solution and cells	90
FeCl3 induced sonochemical heteroarylation: Synthesis of meridianin alkaloid analogues for their in silico/in vitro evaluation against SIRT1	89
Synthesis of bilaterally thiadiazole substituted vic-dioxime ligands and investigation of their polymeric metal complexes	88
Design and synthesis of new nicotinamide derivatives generated via Suzuki Miyaura coupling as potential anticancer hits targeting pancreatic cancer cell line MIA PaCa-2	88
The advancement of molybdenum disulfide quantum dots nanoparticles as nanocarrier for drug delivery systems: Cutting-edge in dual therapeutic roles	87
Synthesis, characterization, crystal structure and antibacterial activity studies of cobalt(II) and zinc(II) complexes containing halogen quinoline Schiff base ligand	86
Spectroscopic (FT-IR, FT-Raman) investigation, topological (QTAIM, RDG, ELF) analysis, drug-likeness and anti-inflammatory activity study on 2-methylaminobenzoic acid alkaloid	85
Synthesis, structure, optical and thermal analysis of the new compound of the new compound organo-metallic (C5H6N)2TeCl6	85
Amelioration potential of synthetic oxime chemical cores against multiple sclerosis and Alzheimer's diseases: Evaluation in aspects of in silico and in vitro experiments	85
Inclusion complexes of α-cyclodextrin with p-aminobenzoic acid and nicotinic acid: Crystal structure, DSC and IR spectroscopy analysis in solid state and 1H NMR and ITC calorimetric studies of complex	84
Chelated calcium 1D coordination polymer: Crystal growth, characterization and Z scan studies	80

An experimental-computational study on thermodynamic properties and intermolecular interactions of binary mixtures composed of quaternary ammonium salts-based deep eutectic solvents and [ETN] or [ACN]	80
Synthesis, characterization of new heterocyclic compound: pyrazolyl hydrazino quinoxaline derivative: 3-[5-(hydroxy1methyl)-1-phenylpyrazol-3-yl]-2-[2, 4, 5-trimethoxybenzylidine] hydrazonyl-quinoxali	79
Synthesis of novel antipyrine-azole-S-alkyl derivatives antimicrobial activity, molecular docking, and computational studies	78
Structure co-ordination of solitary amino acids as ligands in metal-organic frameworks (MOFs): A comprehensive review	77
Synthesis, characterization and evaluation of optical band gap of new semiconductor polymers with N-aryl- 2,5-diphenyl-pyrrole units	76
Green synthesis of antimicrobial silver nanoparticles using fruit extract of Glycosmis pentaphylla and its theoretical explanations	76
Annealing temperature effect on structural and optoelectronic properties of γ-In2Se3 thin films towards highly stable photodetector applications	75
Magnetically recyclable nano-sized Fe3O4@TiO2 heterogeneous photocatalyst for 2-substituted benzimidazoles synthesis under visible light	74
Crystal structures and syntheses of four novel Cu(I)-MOFs with in-situ reduced of Cu(II) and highly efficient fluorescent sensor for trace nitroaromatics	74
Selective recognition of Pb(II) and Cr(III) by novel maleic hydrazide-based 1,2,3-triazole linked derivatives	72
Editorial Board	72
Binuclear Cu(II), Ni(II) and Zn(II) complexes of hydrazone Schiff bases: Synthesis, spectroscopy, DFT calculations, and SOD mimetic activity	70
Proton-conducting cobalt(II) hydrogen-bonded organic framework driven by coordinated water molecules with slow magnetic relaxation	70
Structural characterization, spectral investigation and antimicrobial studies Of ZnWO4 and Zn0.9Cu0.1WO4 nanoparticles synthesized by microwave and sucrose mediated solgel method	70
Research progress of phosphorescent probe for biological imaging	70
Synthesis, crystal structure, Hirshfeld surface, QTAIM, NCI-RDG, DFT and molecular docking studies of 4-(aryl)-1,4-dihydro-N,1-dimethyl-6-(methylthio)-3,5-dinitropyridin-2-amines	68
Potential of phytocompounds from Brassica oleracea targeting S2-domain of SARS-CoV-2 spike glycoproteins: Structural and molecular insights	68
Qualitative and semi-quantitative phase analysis of TiO2 thin layers by Raman imaging	68
Retraction notice to “Two new Cu(II) coordination polymer nanostructures induce human oral squamous cell carcinoma apoptotic cell death in vitro and in vivo” [Journal of Molecular Structure 1200 (2020	67
Half-sandwich ruthenium(II)(η6-p-cymene) complexes: Syntheses, characterization, transfer hydrogenation reactions, antioxidant and enzyme inhibitory activities	67
Anticancer activities of tetra-, penta-, and hexacyclic phenothiazines modified with quinoline moiety.	67
RETRACTED: Two mixed-ligand Cu(II) coordination polymers: Magnetic properties and inhibitory activity on the osteosarcoma by reducing the expression of the estrogen receptor	66
RETRACTED: Two coordination polymers: selective detection of TNP and treatment activity on uterine fibroids combined with ultrasound treatment via inducing cancer cell apoptosis	66
RETRACTED: Two new mixed ligand coordination polymers: Photo-catalytic properties, treatment and nursing application values on puerperal infection	66
New S- and N-alkyl functionalized bis-1,2,4-Triazolyl-based derivatives as potential dual EGFRWT and EGFRT790M inhibitors: Synthesis, anti-proliferative evaluation, molecular docking study and ADMET s	65
Development of ternary PANI/GO-Fe3O4@AgNps nanocomposites for photocatalytic remediation of toxic dye effluent under energy-efficient system	64
Recent advances in agricultural waste derived magnetic biochar for removal of heavy metal ions: Mechanistic insights and technological innovation	64
Synthesis of new imine compounds bearing indole and 1,3,4-thiadiazole moieties: Spectral properties, DFT studies, tautomerism and bond analysis	62
Encapsulation of fluoxetine by cucurbit[7]uril: A computational and experimental study	62
Synthesis, structural elucidation, ion flotation and biological evaluation of Ni(II) and Zn(II) complexes featuring a heterocyclic thiosemicarbazide ligand with their computational studies	61
Synthesis of a novel cobalt-based DABCO framework: Evaluation of cytotoxicity potential and its antibacterial potential against multi-drug-resistant pathogens	61
Design, synthesis, computational studies and evaluation of novel 2, 4, 5-trisubstituted pyrimidine derivatives for anticancer activity against MCF-7 and A549 cell lines	61
Synthesis and structural characterization of a new colchicine monosquarate-amide derivative	61
Exploring the electronic and NLO properties of hydrazinylthiazoles based carboxylates: Synthesis, spectroscopic and DFT studies	61
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection	61
Green synthesis and biological applications of Peganum harmala mediated copper oxide nanoparticles	60
Biogenic fabrication of α-h Phase 2D-MoO3 nanomaterials: Comprehensive analysis of physicochemical and impedance properties for biological and photocatalytic applications	60
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties	60
Synthesis, structural determination, and antibacterial studies of Silver(I) and Gold(I) benzimidazolylidene complexes with N-tert-butylacetyl fragments	60
Construction of cucurbit[8]uril-based metal supramolecular framework for efficient iodine adsorption	60
New mercaptopyrimidine derivatives synthesized with expected antimicrobial and antioxidant properties and theoretical study	60
A ZnII-based coordination polymer for highly sensitive and selective furfural detection	59
A coumarin-naphthalimide-based fluorescent probe for the ratiometric detection of Hg2+ utilizing an ICT-FRET mechanism	59
Exploring the solid-state structural aspects of a novel hybrid quinoxaline based isoxazole compound: Inputs from experimental and computational studies	59
RETRACTED: Two transition metal coordination polymers: Magnetic properties and treatment activity on the chronic renal failure by reducing the expression of the MCP-1 and angiotensinogen in the renal	58
Design, synthesis and characterization of new amide-linked Chromone-Isoxazole Hybrids: In Vitro anti-bacterial and antioxidant evaluation, DFT calculations, ADMET profiling, docking and molecular dyna	58
Computational and experimental investigation on biological and photophysical properties of high yielded novel aryl-substituted pyrazolone analogue	57
DFT calculations of photophysical properties of ethylen-dioxy-thiophen derivatives oligomers with optoelectronic functionalities	57
Recyclable Amberlite IR-120 Catalyzed domino reaction: Synthesis, anticancer activity and molecular docking studies of biscoumarins	57
An experimental and theoretical study on the molecular interactions of N-aromatic L-proline in the condensed phase	57

Retraction notice to "A fluorescent channel-type Eu(III)-organic framework for selective detection of Fe3+ ion and protective effect against Parkinson disease by increasing mitochondrial complex activ	57
Efficient synthesis, crystallographic study, antimicrobial activity and in silico studies of novel bioactive α-aminophosphonates based on pyridine moiety	57
Synthesis and molecular structure of half-sandwich ruthenium(II) complexes containing pyrazolyl ligands: Solvent induced geometrical change in κ2-scorpionate supported complex	55
Performance and efficiency of methyl-cellulose polysaccharide as a green promising inhibitor for inhibition of corrosion of magnesium in acidic solutions	55
Synthesis of Green fluorescent Nitrogen doped Vitis vinifera derived Carbon dots and their in-vitro antimicrobial studies	55
ADMET prediction, Docking, DM analysis and antibacterial screening of epoxy furan-clerodanes from Croton hypoleucus	55
Naphtho[2,1-b]furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: Synthesis, DFT calculations, drug-likeness profile, molecular docking and dynamic stud	54
Synthesis, crystal structure and Near-infrared luminescence of rare earth metal (YIII, ErIII, HoIII) complexes containing semi-rigid tricarboxylic acid ligand	54
Exploration of simple and economic D-π-A- chalcone in selective Fe3+ metal sensing via PET quenching effect in water as a medium and mechanistic study using DFT calculations	54
Superb catalytic activity of as-green synthesized copper ferrite's thermal decomposition of ammonium perchlorate	54
Synthesis, structure and properties of five new complexes based on triazole/imidazolyl aromatic acid ligands	54
Fluorocarbon chain-based imidazoline derivatives as highly efficient corrosion inhibitors at elevated temperatures	54
Microbial pigments: Eco-friendly extraction techniques and some industrial applications	54
Fabrication of novel SrMoSe2 photocatalysts for enhanced oxytetracycline degradation	54
Obtaining new silicon phthalocyanines as sensitizers with high singlet oxygen efficiency using the combined effect of light and ultrasound	54
Fluorescence sensing of chloramphenicol based on oxidized single-walled carbon nanohorn/silicon quantum dots- aptamers	53
Adsorption of Pb(II) ions from aqueous solutions by magnetite (Fe3O4) nanoparticles functionalized with two different Schiff base ligands	53
Physicochemical properties of Ca3Mn1.5Fe1.5O8 sample prepared using the conventional solid-state reaction	53
Understanding electrooxidation mechanism of anticancer drugs utilizing ultrafast pump probe spectroscopy	53
Bioactivity analysis of pentacyclic triterpenoids isolated from Metrosideros polymorpha	53
Biomolecular changes in gills of Gambusia affinis studied using two dimensional correlation infrared spectroscopy coupled with chemometric analysis	53
Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs)	53
Selective synthesis of novel quinolones-amino esters as potential antibacterial and antifungal agents: Experimental, mechanistic study, docking and molecular dynamic simulations	53
Theoretical studies, anticancer activity, and photovoltaic performance of newly synthesized carbazole-based dyes	53
Green chemistry approach for the functionalization of reduced graphene and ZnO as efficient supercapacitor application	53
Preparation and characterization of eight crystalline supramolecular salts from 4-dimethylaminopyridine and aromatic acids	53
Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approaches	52
Synthesis, structure–activity relationship studies using density functional theory and in silico molecular docking on substituted benzohydrazide derivatives	52
Synthesis, crystal structure, theoretical calculations, and corrosion study of thiazine[1,5]benzodiazepine	52
Microwave-assisted synthesis of lanthanide coordination polymers with 2-bromobenzoic acid as ligand from hexa-lanthanide molecular precursors	52
Dy4 and Dy5 complexes based on tautomeric hydrazone Schiff-base ligand regulated by temperature showing single-molecule magnet behaviour	52
High quantum yield nitrogen doped carbon dots for Ag+ sensing and bioimaging	52
A combined theoretical and experimental investigation on the solvatochromism of fused chromene-furanopyran: Determination of dipole moments, DFT/TD-DFT, chemical reactivity and Fukui Function	52
Exploring highly selective polymethoxy fenamate isosteres as novel anti-prostate cancer agents: Synthesis, biological activity, molecular docking, molecular dynamics, and ADME studies	52
Tuning the compositional configuration of hydroxyapatite modified with vanadium ions including thermal stability and antibacterial properties	52
Comments on “Growth dynamics and molecular structural analysis of dimethylketo thiosemicarbazone single crystals for frequency conversion applications–Optical and thermal characterization”	52
Editorial Board	52
A new 2D Zn(II)-based coordination polymer as photocatalyst for photodegradation of methyl orange in water: Effect of photocatalyst dosage and dye concentration	51
Topological characterization of cove-edged graphene nanoribbons with applications to NMR spectroscopies	51
Zinc(II) complex: Spectroscopic, physicochemical calculations, anti-inflammatory and in silico molecular docking studies	51
Molecular structure aspects and molecular reactivity of some triazole derivatives for corrosion inhibition of aluminum in 1 M HCl solution	51
Concentration dependent SERS profile of p-tolyl 2-acetamido-3-(4-fluorophenyl)propanoate (AFP) in silver colloidal nanohydrosols: Experimental and DFT investigations	51
Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface	51
Synthesis, crystal structure, Hirshfeld surface, energy framework, NCI-RDG, theoretical calculations and molecular docking of (Z)4,4′-bis[-3-N-ethyl-2-N'-(phenylimino) thiazolidin-4-one] methane	51
An insight into the structure and vibrations of 4–nitroindole and 7–nitroindole by spectroscopic and DFT methods	51
Mercury (II) complex based on quinoxaline–aminoantipyrine: Synthesis, crystal structure, computational studies and anticancer activities evaluation	51
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies	51
Liquid crystalline naphthyl derivatives with bromoalkoxy tail: Photophysical behavior and DFT studies	50
Synthesis, crystal structure, Hirshfeld surface analysis and magnetic studies of bis[1,3-dicyclohexyl-2-ethyl isouronium]tetrachlorocobaltate(II)	50
Radiation-thermocatalytic and thermocatalytic properties of n-ZrO2-n-SiO2 systems in the process of obtaining hydrogen from water at different temperatures	50
Two Cd(II)-MOFs containing pyridylbenzimidazole ligands as fluorescence sensors for sensing enrofloxacin, nitrofurazone and Fe3+	50
Experimental and computational investigation of a novel organic cation hexachlorostannate (IV) material (CHNO)(SnCl)	50
A new zero-dimensional (0D) hybrid bismuth (III) halide: Synthesis, crystal structure, thermal analysis, photophysical properties and DFT calculations	50
Pyrrolo[2,3-b]quinoxalines in attenuating cytokine storm in COVID-19: their sonochemical synthesis and in silico / in vitro assessment	50
A thermal and pH stable fluorescent metal-organic framework sensor for high selectively and sensitively sensing nitro aromatic compounds in aqueous media	50
Experimental and computational structural studies of 5-substituted-3-(1-arylmethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles	49
Two new cyclohexenone derivatives: Synthesis, DFT estimation, biological activities and molecular docking study	49
Synthesis, characterization, reaction conditions, conductivity and thermal properties of poly(phenoxy-imine)s containing methoxy unit	49
Experimental and computational studies of phytomediated selenium-CuO and ZnO nanoparticles-potential drugs for breast cancer	49
Study on the relationship between ring formation and properties of pre-oxidized polyacrylonitrile-based fibres	49
A novel approach to Chromium rejection from sewage wastewater by pervaporation	49
Interaction of diplacone and eriodictyol with DNA by multi-spectroscopic and molecular modelling methods	48
Investigation of crystal structures, spectral (FT-IR and NMR) analysis, DFT, and molecular docking studies of novel piperazine derivatives as antineurotic drugs	48
Multi-response luminescent sensor with phenylenediacetic acid and bis-triazole ligand for the detection of Cr(VI), Fe(III) and nitroimidazole antibiotics in aqueous solutions	48
Heteroatom-doped mesoporous carbon derived from covalent organic framework for the potential application of symmetric supercapacitor device	48
Recent advances in the nanoparticles synthesis using plant extract: Applications and future recommendations	48
Electrochemical studies of CdS based nanocomposite: Synthesis, characterization and structural aspects insight	48
Supramolecular co-crystal of 4-dimethyl aminopyridine with Picric acid (4DMAP: PA): Synthesis, single crystal investigation, HF/DFT inspection, Hirshfeld surface and antifungal activity	48
An ultrastable cationic covalent organic framework for selective capture of silver from aqueous solution	48
Effect of the substitution of titanium by niobium on the structural, electric and modulus properties in Ba0.97La0.02Ti(1-x)Nb4x/5O3 perovskites	47
Effect of electron donors on the photophysical and theoretical properties of BODIPY dyes based on tetrazolo[1,5-a]quinoline	47
Two robust dual-functional Cd(II) MOFs as luminescent sensors for quantitatively detection of nitrofurazone and Fe3+ ions	47
Diastereoselective Synthesis, Characterization, Investigation of Anticancer, Antibacterial Activities, In Silico Approaches and DNA/BSA Binding Affinities of Novel Pyrimidine-Sugar Derivatives	47
Synthesis and anti-HCV activity of novel 5-arylmethylene-1,3-thiazolidin-4-one derivatives via suppression of NS5B polymerase and COX-2	47
Experimental and computational studies on copper(II) Schiff base complex derived from 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one	47
Spectroscopic, XRD, Hirshfeld surface and density functional theory (DFT) studies of the non-covalent interactions in 2-hydroxy-3-iodo-5-nitroacetophenone	46
Synthesis, characterization, structural analysis and electrocatalytic performance of zinc(II) porphyrinates	46
4,4-Nitrophenoxyaniline derived Azo ester: Structural elucidation, DFT simulation, and DNA interactional studies via wet and in silico methods	46
Investigation of properties of ZnO and MgxZn1-xO films prepared by sol-gel method	46
Novel N-acylsulfamoyl-oxazolidin-2ones: Synthesis, antitumor activity, X-ray crystallographic study, molecular docking and POM analyses	46

Synthesis of 3-deazaneplanocin A analogs and their antiviral activity against RNA-viruses	46
A theoretical and experimental study on etherification of primary alcohols with the hydroxyl groups of cellulose chain (n = 1–3) in acidic condition	46
New polymorph for Cd(II) chloro‑bridged coordination polymer based on 3-aminopyrazin-2-carboxylic acid: Synthesis, structural characterization, Hirshfeld surface analysis, thermal properties and molec	46
Synthesis, crystal structure and thermal properties of energetic complex Ni(Ⅱ) and Cd(Ⅱ) based on bis(5-nitroimino-1,2,4-triazole-3-yl) methane	46
Quantum chemical computation and spectroscopic investigation on antiviral drug Acyclovir:-In-silico and in-vitro analysis	45
Selective targeting of Aurora kinase B over A: Uncovering the structural basis for inhibitor specificity through molecular dynamics simulations	45
Analysis of structural conformation and supramolecular self-assembly of novel oxalate-bridged tetranuclear Cu(II) complex by combined crystallographic and computational studies	45
A cocrystal for effectively reducing the hepatotoxicity of ethionamide	45
Comparative analysis of the interaction of oroxylin A with two sources of α-glucosidase and α-amylase	45
Novel pyrimidine – Imines against tuberculosis: Rationale, in vitro, in silico studies and mechanistic insights	45
Unravelling yeast cellulase potential: A computational approach to structural study, cellulolytic activity, and docking	45
Synthesis of benzopyrans and evaluation of cytotoxicity against ER-MCF-7 cell lines	45
Supramolecular architecture formed between amidinothiourea and 2-pyridinecarboxylic acid	45
Green synthesis by celery seed extract and improvement of the anticancer activity of quercetin-loaded rGO/Ca1-xMnxFe2O4 nanocarriers using UV light in breast cancer cells	45
Aza-BODIPY photosensitizer substituted with phthalonitrile groups: Synthesis, photophysical properties and in vitro tests for breast cancer	45
Editorial Board	45
Synthesis, crystal structure and Hirshfeld surface analysis of isomeric 1-butyl-5/6-chloro-2-methyl-1H-benzo[d]imidazoles hydrochloride monohydrate	45
Effect of the bifunctionalization of aminomethylphosphonic acid on the structural, electronic, vibrational, thermodynamic and antioxidant activity: Microwave-assisted synthesis, Density Functional The	45
Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted β-diketonate ligand	44
Benzofuranyl-derived flavylium salts, chalcones and chalconates: Insights from X-ray structure, DFT calculations and spectroscopic pH response	44
Local heterogeneities and order-disorder: An approach to tailor BaTi1-xZrxO3 ceramics properties	44
Quaternary ammonium ionic liquids based on -SO3H with different alkyl chain lengths as electrolytes for fuel cells and the mechanism for proton transfer in ionic liquid	44
Experimental and theoretical investigation of structure-magnetic properties relationships in a new heteroleptic one-dimensional triple bridged azido/acetato/DMSO copper (II) coordination polymer	44
Luminescence properties, tunable emission and energy transfer of Na3Sc2(PO4)3: Sm3+, Bi3+ phosphors	44
Design, synthesis, solid-state and solution structures, non linear optical and computational studies of copper(II) complexes supported by variously substituted enantiomerically pure push-pull tetraden	44
Synthesis and structural characterization of a novel palbociclib-kaempferol cocrystal with improved tabletability and synergistic antitumor activity	44
One-pot synthesis of diverse isoindolobenzoxazinone and isoindoloquinazolinone derivatives through a transition metal-free cascade cyclization	44
Comments on “Investigations on a novel biologically active organic molecule of 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone by spectroscopic, molecular docking, and quantum chemical approach”	43
Increasing the sensitivity of the molecular probes for the substituent effects – The SESE approach	43
Synthesis, in vitro and in silico studies on novel 3-aryloxymethyl-5-[(2-oxo-2-arylethyl)sulfanyl]-1,2,4-triazoles and their oxime derivatives as potent inhibitors of mPGES-1	43
Preparation, investigation, DFT, pH-metric and cyclic voltammetry of Cr(III), Fe(III), Co(II), Ni(II) and Cu(II) complexes derived from 2-(2-((2Z,3Z)-3-(hydroxyimino) butan-2-ylidene) hydrazineyl)-2-o	43
Design, synthesis, structural investigation and binding study of 2-pyridone-based pharmaceutical precursor with DNA	43
Editorial Board	43
New thieno[2,3-b]pyridine-fused pyrimidin-4(3H)-ones as potential thymidylate synthase inhibitors: Synthesis, SAR, in vitro and in silico study	43
N-Unsubstituted 1,2-benzothiazine 1,1-dioxides: Pd-catalyzed one-pot sonochemical access and in silico / in vitro evaluation against MtbCM	42
A colorimetric and turn-on fluorescent sensor for rapid and selective detection of Fe3+ ion based on azo compound of 4-((4-(dimethylamino) phenyl)diazenyl)-N-(pyridin-2-yl)benzamide	42
Exceptionally water-soluble [CuII2] complexes for investigating monosaccharide-metal ion interactions	42
Quantitative analyses of the electron spin resonance behavior using an integrable model	42
Shock wave recovery experiments on poly-crystalline tri-glycine sulfate – X-ray and Raman analyses	42
Synthesis of (thio)alkyloxy-substituted perfluorinated terphenyl derivatives: Optical properties, molecular docking and antioxidant activity	42
Distinct magnetic relaxation behaviors in nitronyl nitroxide-based cocrystalline supramolecular system with DyIII-O-H⋯O-N hydrogen bond	42
Editorial Board	42
Interactive study of Au20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction	42
Raman spectroscopic study of cinnamyl-1 diphenylmethyl-4 piperazine (Cinnarizine) at high pressure	42
Synthesis and spectroscopic characterization of charge transfer complexes of the donor hesperidin and π-acceptors; 2,3-dichloro-5,6-dicyano-1,4- benzoquinone and tetracyanoethylene	42
Editorial Board	42
Synthesis, spectroscopic, thermal decomposition, DFT studies and antibacterial activity of uracil cobalt(III)dimethylglyoximato complexes	41
Design, synthesis, and antibacterial activity of a new series of ciprofloxacin-thiadiazole hybrid	41
Design and synthesis of novel tetrazolo quinoline bridged isatin derivatives as potential anticancer leads against MIA PaCa-2 human pancreatic cancer cell line	41
Spectroscopy and DFT studies on Cr(III) complexes with saccharides, 8-hydroxyquinoline and their biological activity	41
Water adsorption and framework evolution in AlPO4-5: An infrared spectroscopic study	41
Crystal structures and photoluminescence properties of chromium(III) complexes with 2-thenoyltrifluoroacetone ligand	41
Network pharmacology, molecular docking technology integrated with pharmacodynamic study to explore the potential targets and mechanism of Xinkeshu tablets against myocardial ischemia reperfusion inju	41
Synthesis, X-ray crystallographic analysis, DFT studies and biological evaluation of triazolopyrimidines and 2-anilinopyrimidines	41
A potent anesthetic drug salt: experimental and computational studies	41
Targeting carbonic anhydrases II/IX/XII with novel series of coumarin-based compounds: Synthesis, biological activity and molecular dynamics analysis	41
A concise, facile and MCR-GAP chemistry strategy for the synthesis of spiro[benzo[4,5]thiazolo[3,2-a]pyrano[2,3-d]pyrimidine-4,3′-indoline] derivatives as fluorescent cellular imaging agents	41
Evaluation of molecular structure based descriptors for the prediction of pEC50(M) for the selective adenosine A2A Receptor	41
Gas-phase conformational analysis and vibrational signatures of diphenhydramine: Investigating the interplay with hydrochloride	41
Influence of counter ions on supramolecular structures of copper(II) complexes derived from 1,8-naphthalimide tecton	41
Structural characterization and biological evaluation of uracil-appended benzylic amines as acetylcholinesterase and carbonic anhydrase I and II inhibitors	41
Process optimization of simple preparation of AgNPs by polyol method and performance study of a strain sensor	40
Growth, Quantum Chemical Computations, NLO and Spectroscopic Studies of 2-Amino 5-Chloro Pyridine Single Crystal in Comparison with Certain Aminopyridine Derivatives.	40
Revealing the mechanism of manganese doping in sulphoaluminate cement clinker	40
Synthesis, biological activities of chalcones and novel 4-acetylpyridine oximes, molecular docking of the synthesized products as acetylcholinesterase ligands	40
Synthesis, X-ray crystallography, and multi-computational investigation of (E)-N-(2-morpholinoethyl)-1-(pyren-1-yl)methanimine to explore solid-state electronic behavior	40
Construction and optimization of molecular multidimensional model of Changqing petroleum residue	40
Supramolecular interactions in X-ray structures of oxalamides: Green synthesis and characterization	40
Novel coordination compounds of alkaline earth metals with coumarilic acid. Synthesis and characterization	40
Probing the electronic nature of Co centers forming the planar ring in octa-nuclear Co complexes using X-ray absorption spectroscopy	40
Noise temperature of the electromagnetic waves in the mid-latitude ionosphere	40
Investigating the structural and electronic properties of anionic calcium-doped magnesium clusters	40
Synthesis, characterization, antioxidant activity of Quercetin, Rutin and Quercetin-Rutin incorporated β-cyclodextrin inclusion complexes and determination of their activity in NIH-3T3, MDA-MB-231 and	40
Synthesis and electrical properties of 2,9(10),16(17),23(24){4-[bis[2-(hydroxy)ethyl]amino}benzyloxy-phthalocyaninatozinc(II)	40
Facile catalytic construction of one-pot two-component 1,3,4-oxadiazole derivatives over Zn promoted Cu/CeO3 catalysts in semi-aqueous condition	39
Crystal structure, spectroscopic characterization, molecular docking, in vitro antibacterial potential and theoretical investigations on creatininium hydrogen maleate (CRHM) single crystal	39
Temperature modulation on functional coordination polymers with tetracarboxylate linker: Syntheses, structural traits, and magnetism	39
A new fluorescence probe for simultaneous determination of Fe2+ and Fe3+ by orthogonal signal correction-principal component regression	39
Pterosin sesquiterpenes and lignans from Pteris laeta Wall. and their neuroprotective bioactivity	39
The mechanism of action of limonoids of Citri Reticulatae Semen against MCF-7 breast cancer cells	39
Syntheses, characterization and oxygen evolution reaction (OER) electrocatalytic properties of M(II) based bromo-salophen complexes	39
Synthesis and characterization of two water stable coordination polymers with better photocatalytic property towards the organic pollutant in waste water	39
Synthesis, crystal structure, optical and DFT studies of a novel Co(II) complex with the mixed ligands 3-bromothiophene-2-carboxylate and 2-aminopyridine	39
Calculation Of The Damping Constant (FWHM), The Relaxation Time, And The Activation Energy As A Function Of Temperature For DmaCd(N3)3	39
Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes	39
Synthesis and application of chalcone derivative organogels	39
Preparation and characterization of novel cyclohexene-to-adipic acid catalyst with ionic liquid phosphotungstate immobilized on MIL-101 nanocages based on Cr-N coordination	39
The nucleoside adenosine inhibits intracellular microvascular α2C-adrenoceptor surface trafficking	38
Editorial Board	38
Synthesis, configurational analysis and antiviral activities of novel diphenylacrylic acids with caffeic acid as the lead compound	38
Multilevel virtual screening approach for discovery of thymidine phosphorylase inhibitors as potential anticancer agents	38
Matrix infrared spectroscopic and ab initio investigations of methylamine-CO2 and methylamine-CO2-water complexes	38
Stable triterpenoid iminium salts and their activity as inhibitors of butyrylcholinesterase	38
Visible-light-driven reduction of hexavalent chromium ions by CdS/CaCO3 semiconductor–insulator photocatalytic heterojunction	38
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family	38