Journal of Molecular Structure

Article	Citations
Two new Zn(II) and Cd(II) coordination polymers derived from 1,3,5-tris(3-carbonylphenyloxy)benzene and 4,4′-bis(imidazolyl)biphenyl ligands: Syntheses, structure and luminescent sensing of antibiotic	273
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation	257
Synthesis, biological activities and theoretical studies of a new macroacyclic Schiff base ligand and its related Co(II), Ni(II), and Cu(II) complexes: The X-ray crystal structure of the Co(II) comple	187
Synthesis, crystal structure and DFT study of ethyl (3aR,7R,7aR)-2,2-dimethyl-7-((methylsulfonyl)oxy)-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate	177
Evaluation of gradient boosting and deep learning algorithms in dimuon production	158
Probing the Fermi resonance of pyridine surrounded by hydrogen bonding network by density functional theory	137
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–1175	135
New degradable PCL/thiazole composite for biological applications; characterization and spectroscopic studies	131
Synthesis of spirobifluorene derivatives via metal catalyzed C N and C C cross couplings: useful substrate for cadmium ion sensing	116
Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study	114
Inhibitory effects of phenylpropanoids and lignans isolated from the bark of Cinnamomum cassia L. on soluble epoxide hydrolase: Spectroscopic, kinetic, molecular docking, and molecular dynamics studie	112
Stereo and regioselective synthesis, structural elucidation and antibacterial activity of novel spiropyrrolidine embedded with two units of oxindoles	103
Synthesis of novel substituted quinoline derivatives as diabetics II inhibitors and along with their in-silico studies	99
Chemical kinetic properties of HNgF → HF + Ng (Ng = Ar, Kr, Xe, and Rn) reactions: An example of fortuitous cancelling of relevant relativistic effects	99
Tautomer distributions of N-acetyl-D-glucosamine in the condition of commonly utilized solvents and catalysts for biorefinery: NMR study	94
Rational design and synthesis of organic-inorganic hexavanadate hybrids with p-halogenated benzoyl ligands	92
Crystal structure and photo-physical properties in a perovskite–type semiconducting hybrid phase: {(m-C6H7N2O2)2CdCl4}n	91
Antileishmanial activity of 3,4,5-trisubstituted isoxazoles by interaction with Leishmania amazonensis plasma membrane	91
RETRACTED: Two new Cd(II) coordination polymers: Luminescent, photocatalytic properties and application values on children bronchopneumonia	90
Reactivity of hemilabile 2-pyridylselenolate ligand towards [NiCl2(dppe)]: Combined experimental and theoretical study	90
Crystalline aloe-emodin reduce β-amyloid-induced toxicity in Caenorhabditis elegans with visualization of ingestion	89
Chemo- and regioselective controlled synthesis and thermal analysis characterization of trifluoromethyl polypyrazoles	88
Crafting copper complexes of variable nuclearity and coordination geometry through solvent tailoring: Unveiling novel structure, magnetic insight and computational marvels	88
Keto-enol tautomerism, spectral (infrared, Raman and NMR) studies and Normal coordinate analysis of 4-Methyl-2-hydroxyquinoline using quantum mechanical calculations	88
Tuning the fluorescence emission of water-stable CsPb(Br/I)3 perovskite nanocrystal probes for naked-eye visual detection of mercury ion	87

Synthesis of 2,3-dihydroxy-3-(N-substituted carbamoyl)propylphosphonic acid derivatives as hybrid DOXP-fosmidomycin analogues	86
Binaphthanol-derived emitters with aggregation-induced emission, acidochromic and chiral optical properties	86
Regio- and stereoselective synthesis of dispiropyrrolizidines through 1,3-dipolar cycloaddition reaction: Inhibition of KRAS expression	84
Synthesis and characterization of aza[7]helicenes	84
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation	84
Easy obtention of tin(II) complexes by using semicarbazones in their hydrochloride forms	84
Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)	84
Synthesis, crystal structure and metal ion sensing ability of novel 4-amino-3-nitroso-2H-chromen-2-one: Interaction studies with calf thymus-DNA	83
Molecular structure, quantum chemical and spectroscopic properties of 2,6–dibromonaphthalene by density functional theory calculations	81
A novel triphenylamine-furan hydrazone-based sensing of Cu2+ ions and imaging in cancer cells	80
Visible-light-mediated synthesis, NMR analysis and X-ray crystal structure of dihydrocyclobuta[b]naphthalene-3,8-diones	79
Synthesis, Structure and DNA-binding Property of a 14 Nuclear Silver(I) Ferrocenylacetylide Cluster	76
Site-differentiated ligand substitutions of the incomplete-cubane type W-Fe-S clusters	75
Isolation and identification of sesquiterpenes from the aerial parts of Chloranthus japonicus and their chemosensitizing activities on U2 OS cells	75
Preparation and solid-state characterization of two novel berberine chloride cocrystals with benzene derivatives	75
Corrigendum to ‘Synthesis, molecular docking, anti-cancer activity, and in-silico ADME analysis of novel spiroacenaphthylene pyrrolizidine derivatives’	75
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties	75
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection	74
Y-shape pyridine-based D-π-A chromophores for improved nonlinear optical properties and optical limiting in polyurethanes	73
Fabricating efficient SnO2/hydrochar heterojunction visible light photocatalyst for Cr(VI) reduction	73
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties	73
Optical properties of transition metals complex films derived from hydrazone oxime for optoelectronic devices	72
New naphthoquinones isolated from the Arnebia euchroma (Royle) Johnst. and their anti-proliferative activities in HaCaT cells	71
Small molecule N-heteroatomic fluorophores: Bridging chemistry, principles and photophysical properties for biomedical applications	71
Novel nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, DFT study and Anticancer activities	71
Effect of phase of NiS loaded on two-dimensional CdS nanosheets on photocatalytic hydrogen evolution	71
Green synthesis of benzimidazoles via the palladium catalyzed one-pot reductive coupling of nitroarylamines with nitriles	71
Synthesis, anti-proliferative activity, gene expression, docking and DFT investigation of novel pyrazol-1-yl-thiazol-4(5H)-one derivatives	71
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family	70
Synthesis, single crystal, in-silico and in-vitro assessment of the thiazolidinones	70
Regioselective synthesis of spirooxindole-pyrolidine via (GAP) chemistry process: Experimental and DFT study	70
Editorial Board	70
Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted β-diketonate ligand	70
Synthesis, configurational analysis and antiviral activities of novel diphenylacrylic acids with caffeic acid as the lead compound	70
Growth dynamics of sodium nitrate incorporated acetamide crystal'sbiomedicinal profile: Anticancer, antidiabetic, antioxidant activities	70
Editorial Board	70
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	69
Development of therapeutic deep eutectic solvent with anti-oxidant and anti-microbial properties for potential pharmaceutical applications	69
Experimental proof for σ and π-hole driven dual pnicogen bonding in phosphoryl chloride-nitromethane heterodimers: A combined matrix isolation infrared and ab initio computational studies	69
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”	69
Noncovalent interactions and electron transfer between 1,3,5-trinitro-1,3,5-triazinane and Al3O3−	69
Synthesis, single crystal X-ray analysis and vibrational spectral studies of 3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5‑dione	68
Construction of cucurbit[8]uril-based metal supramolecular framework for efficient iodine adsorption	68
Experimental and theoretical investigation of cyclohexane halogenation catalysed by mono- and trinuclear Cu(II) complexes	68
Sonochemical replacement of C-3 hydrogen of indole by a pyridine ring: Docking, synthesis and in vitro evaluation of 3-(6-aryl pyridin-2-yl)indoles against SIRT1	68
A homochiral Nickel(II) complex [Ni(P'N)2]Cl2: Synthesis, characterization, crystal structure, luminescence, DFT and Hirshfeld surface studies	68
Exploring the electronic and NLO properties of hydrazinylthiazoles based carboxylates: Synthesis, spectroscopic and DFT studies	68
The tendency of the charge transfer system, derived from chloranilic acid and 2-amino-2-(hydroxymethyl)-1,3-propanediol towards copper(II) complex-formation: characterization, anion impact, and biolog	67
Structures, functionality, and catalytic performance of H2abda-based coordination polymers	67
Computational studies, synthesis, in-vitro binding and transcription analysis of novel imidazolidine-2,4‑dione and 2-thioxo thiazolidine-4-one based glitazones for central PPAR-γ agonism	67

Biological activity evaluation and molecular docking studies of newly synthesized phenylamino derivatives	66
Facile synthesis, pharmacological and In silico analysis of succinimide derivatives: An approach towards drug discovery	66
Experimental and computational investigation of a novel organic cation hexachlorostannate (IV) material (CHNO)(SnCl)	66
Crystal structure, powder X-Ray diffraction, Hirshfeld, thermal, Infrared-Raman studies, and symmetry analysis of the relationship between the novel tetragonal [(CH3)4N]2SiF6 and the cubic Fm3m antifl	66
Effect of the bifunctionalization of aminomethylphosphonic acid on the structural, electronic, vibrational, thermodynamic and antioxidant activity: Microwave-assisted synthesis, Density Functional The	66
Synthesis of polysubstituted spiroazepines via [4 + 3] annulation reaction of ninhydrin-derived Morita−Baylis−Hillman carbonates with 1‑heterodienes	66
Water adsorption and framework evolution in AlPO4-5: An infrared spectroscopic study	66
Design, molecular docking and antimicrobial assessment of newly synthesized p-cuminal-sulfonamide Schiff base derivatives	65
Enhancing photocatalytic dye degradation efficiency through the utilization of shock wave effects on neodymium oxide (Nd2O3)	65
Synthesis, characterization, non-linear optical and DNA binding properties of a Schiff base ligand and its Cu(II) and Zn(II) complexes	65
One pot facile synthesis of flavanoidal oxadiazinanones: In vitro antibacterial activity, docking and MD simulation using DNA gyrase	65
Benzothiazole-based D-A-D type dichroic dyes for dimming devices	64
Novel Zinc and Vanadium (V) Hydroquinonate Complexes: Synthesis and Biological Solution Evaluation	64
One-pot multicomponent synthesis and antimicrobial evaluation of steroidal benzo[4,5]imidazo[1,2-a]pyrimidines with hemolytic assay and molecular docking studies	64
Experimental and computational studies of organic 4-[[(4-chlorophenyl)imino]methyl]phenol single crystals for optic and biological applications	63
New acetophenone scaffolds: Synthesis, antifungal activities, biocompatibility, molecular docking, ADMET analysis and dynamic simulations	62
Magnetically recyclable nano-sized Fe3O4@TiO2 heterogeneous photocatalyst for 2-substituted benzimidazoles synthesis under visible light	62
Theoretical study of double antiaromatic structure - cyclo[16]carbon	62
The effect of halo-substituents on physical properties based on 1,3,5-triarylbenzenes: Synthesis, crystal structure and Hirshfeld surface	62
Hybrid sulfonyl hydrazone compound containing thiotetrazole: Synthesis, characterization, potential ALS enzyme inhibitor property, and in silico studies	62
Synthesis, quantum mechanical calculations, antimicrobial activities and molecular docking studies of five novel 2,5-disubstituted benzoxazole derivatives	62
Synthesis, crystal structure and Near-infrared luminescence of rare earth metal (YIII, ErIII, HoIII) complexes containing semi-rigid tricarboxylic acid ligand	62
Experimental and theoretical studies on a salamo-derived biscompartmental ligand and its rare tetranuclear Zn(II) complexes containing solvent effect	61
2-azidobenzaldehyde: A versatile scaffold for the generation of N‐heterocyclic compounds	61
Synthesis, structure, optical and thermal analysis of the new compound of the new compound organo-metallic (C5H6N)2TeCl6	61
Iodides and polyiodides of l-arginine	61
Synthesis and anti-cancer properties of Pd(II) and Pt(II) coordination compounds of heterocyclic Schiff base ligands	60
The synthesis of quaternary N-alkyl tropinium cationic surfactants and study on their properties: effect of temperature, hydrophobic chain length and anions	60
Editorial Board	60
Influence of buffer layer on optoelectronic properties of B-Mg co-doped ZnO ultrathin film for high-performance transparent conductor application	60
Matrix infrared spectroscopic and ab initio investigations of methylamine-CO2 and methylamine-CO2-water complexes	59
First fluorine doping of In2O3 films and its crucial role in enhancing photocatalytic activity	59
Synthesis, crystal structure, spectral properties, molecular docking, and Hirshfeld surface analysis of [Ru(bpy)2(NHC)(AN)]+2	59
Synthesis, spectral characterization, DFT-computational analyses on Novel 4-nitrobenzenaminium benzenesulfonate (4NBASA) crystal	58
Ratiometric fluorescence sensing of hypochlorite ion by dansyl hydrazine - Spectroscopic and TD-DFT studies	58
Knoevenagel condensation of acetonedicarboxylates with aldehydes	58
One-pot synthesis of diverse isoindolobenzoxazinone and isoindoloquinazolinone derivatives through a transition metal-free cascade cyclization	58
DFT calculations of photophysical properties of ethylen-dioxy-thiophen derivatives oligomers with optoelectronic functionalities	58
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies	58
Spectroscopic, computational and mechanistic studies on regio- and stereoselectivity of the 1,3-dipolar cycloaddition reaction in the synthesis of dispiro[indoline-3,2′-pyrrolidine-3′,3"-indolines] fe	58
Aggregation behaviour of paraffin molecules with different branched distributions during crude oil gelling: A molecular dynamics study	57
Experimental and theoretical investigation of structure-magnetic properties relationships in a new heteroleptic one-dimensional triple bridged azido/acetato/DMSO copper (II) coordination polymer	57
Combined synthetic and solubility aspects of orotate salt of bilastine	57
Influence of counter ions on supramolecular structures of copper(II) complexes derived from 1,8-naphthalimide tecton	57
A novel dual three and five-component reactions between dimedone, aryl aldehydes, and 1-naphthylamine: synthesis and computational studies	56
Influence of methyl substituents on the conformational stability of Si3N3(CH3)6: molecules first principles and FT-IR matrix isolation study	56
Synthesis of benzopyrans and evaluation of cytotoxicity against ER-MCF-7 cell lines	56
Synthesis, luminescence properties and computation studies of two-coordinate N-heterocyclic carbene (NHC) copper(I) complexes bearing quinoline derivatives as ligands	56
Influence of molecular architecture on biphenyl self-assemblies: Mesomorphic behaviour and computational aspects	56
Electrochemical, photocatalytic and biological investigation of carbaldehyde derived azo dye ligand and its Co(II), Ni(II), Cu(II) complexes	56
A straightforward synthesis of methylenebisamides from amides and DMSO with a substoichiometric amount of (COCl)2	56
Synthesis, X-ray crystallographic analysis, DFT studies and biological evaluation of triazolopyrimidines and 2-anilinopyrimidines	56
Synthesis of selenium-based BOPHY sensor for imaging of Cu(II) in living HeLa cells	55
A precise flexible printed biosensor based on graphene ink decorated with N-doped graphene quantum dots	55
Highly enantioselective [3+2] annulation of 4-amino-isoxazoles with quinone monoimines to access structurally diverse isoxazoline fused dihydrobenzofurans and antifungal evaluation	55
Fused double oxazolidine vs Imine ligands and Zn-complexes formation: Experimental and theoretical calculations	55
Recent development of Schiff-base metal complexes as therapeutic agents for lung cancer	55
Enzymes inhibition profiles and antibacterial activities of benzylidenemalononitrile derivatives	55
Biocatalyst mediated green approach for 1,8-dioxo-octahydroxanthenes: SCXRD, Hirshfeld analysis and DFT studies as inhibitors of HIV reverse transcriptase	55
Synthesis, crystal structure, Hirshfeld surface analysis and theoretical investigation of polynuclear coordination polymers of cobalt and manganese complexes with nitrobenzene and pyrazine	55
Synthesis, physico-chemical characterization and quantum chemical studies of 2, 3-dimethyl quinoxalinium-5-sulphosalicylate crystal	54
Selective quinizarin-linked bis-1,2,3-triazoles as probes for Fe(II)/(III): Characterization, metal ion binding, DFT, and antiallergy activity via docking studies	54
Cytotoxic, antimicrobial, and angiogenesis inhibition activity of novel Cobalt(II) complexes of substituted benzimidazole: Molecular docking simulation and Inhibition kinetics	54
A novel orange red emitting Li2Ba3(P2O7)2:VO2+ nanophosphor for high CRI LED applications using wet-chemical synthesis	54
Synthesis and characterization of molybdenum trioxide with an orthorhombic crystal structure for supercritical water gasification application	54
Targeting carbonic anhydrases II/IX/XII with novel series of coumarin-based compounds: Synthesis, biological activity and molecular dynamics analysis	54
Preparation of cellulose-based carbon aerogel composite zinc oxide nanomaterials and their photocatalytic properties	54
Chelated calcium 1D coordination polymer: Crystal growth, characterization and Z scan studies	54
A 3D supramolecular network built by tetranuclear Ag(I) clusters: Insights from DFT applications and study of cytotoxicity, oxidative stress in HLCs, MCF-7 cells	54
Novel tetradentate N2O2 water-soluble Schiff Base and its Al(III) complex: Synthesis, structural characterization, and correlations between structure and stability against hydrolysis	54
Doxorubicin-loaded mPEG-pPAd-mPEG triblock polymeric nanoparticles for drug delivery systems: Preparation and in vitro evaluation	53
Molecular conjugates of N-substituted 2,4-dichlorophenoxymethyl and 1,3,4-oxadiazole acetamides as potent 15-LOX inhibitors supported with cytotoxicity, ADME, molecular docking studies and DFT calcula	53
Controlled aggregation of unsymmetrical amphiphilic perylene diimide derivative into nanosheets	53
Investigation of charge transfer complexes between luteolin and DNA nucleotides using experimental and computational methods	53
Targeting Mycobacterium Tuberculosis with Azotic-Grafted 3D-Spirochromanone Derivatives: Synthesis, Molecular Docking, and DFT Studies	53
Effect of sodium dodecyl sulfate on the dielectric and electrical properties of poly (vinylidene fluoride)-zinc ferrite composites	52
Experimental and computational studies on copper(II) Schiff base complex derived from 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one	52
Corrigendum to “Two new 3D cobalt(II) coordination polymers constructed by semi-rigid carboxylic acid ligand: Syntheses, structures and properties” [Journal of Molecular Structure 1319 (2025) 139538]	52
Enhanced phase transition temperature achieved by CH3/H substitution in Sn-based perovskite	52
A promising platform for the rapid and sensitive sensing of mercury ion and its applications in biological and environmental system	52

Synthesis, spectroscopic characterization, and prevention of carbon steel corrosion in hydrochloric acid of a new bis-isoxazoline-carvone	52
Nano-Pd/SiO2 aerogel catalyst prepared via ambient pressure drying process using perlite powder in hydrogenation and cross-coupling reactions	51
Conformational polymorphs and solvates of 1-(6-aminopyridin2-yl)-3-phenylthiourea	51
Iminomethyl-based copper complexes as precursors for copper oxide nanoparticles and investigations on protein interaction studies	51
Construction of covalent triazine frameworks (CTFs) based on imine bonds for efficient adsorption of Hg2+ from water	51
Impact of solvation on plant-derived cyclic octapeptide alkaloid reactivity and drug suitability against target proteins implicated in leukemia: DFT, pharmacokinetics and molecular docking studies	51
Copper and silver nano-schiff base complexes: Efficient catalysts for triazole synthesis and antimicrobial assessment	51
T-shaped CH···π and antiparallel π···π interactions of metronidazole benzoate and phenyl supporting paddle-wheel manganese(II) and zinc(II) carboxylate complexes: Structural, spectroscopic, and theore	51
Characterization and light-responsive behavior of anthraquinone azo-dye thin films for optoelectronic device applications	51
Dysprosium (III) Supported on CoFe2O4 MNPs as a Heterogeneous Catalyst for the Selective Oxidation of Sulfides and Synthesis of Symmetrical Disulfides	51
Temperature-dependent IR and dielectric properties, and DFT calculations (FMOs and ELF), of 2-amino-3-nitropyridinium hydrogen sulfate monohydrate	50
Construction, structure, computational and CDT antimicrobial effect studies of novel binuclear manganese(II) mono-salamo complex	50
Exploring the polymorphism of selective androgen receptor modulator YK11	50
Integrated computational and experimental approaches to identify new papain-like protease inhibitors	50
Investigation on the pharmacological profile for new synthesized bis heterocyclic analogs containing nitrogen atom as anti-cancer therapy target	50
Exploration of Polyhydroquinoline (PHQ) derivatives for antibacterial effects: Synthesis, biological screening, and in-silico evaluation	50
Efficient synthesis of novel 1, 2, 3-triazole-based diazepam derivatives by click CuAAC reaction: Spectroscopic characterizations and DFT studies	50
Analysing and fabricating CoxV1-xSe2 thin film by ultrasonic spray coating method	50
Adsorption of Pb(II) ions from aqueous solutions by magnetite (Fe3O4) nanoparticles functionalized with two different Schiff base ligands	49
Square-planar nickel/copper(II) complexes of (E)-2-(((2-ethylphenyl)imino)(phenyl)methyl)phenol: Supramolecular analysis, keto-enol tautomerism, polymorphism and antibacterial activities	49
A red emission tetraphenyl ethylene-fused rhodamine dye for viscosity sensing and mitochondria-targeted cell imaging	49
Tuning electrochemical behavior and band gap energy of ammonium phosphomolybdate/polymer composite and facilitate reduction of Cr(VI) in contaminated water	49
A benzyl carbazate-based colorimetric chemosensor for relay detection of Cu2+ and S2− in near-perfect aqueous media	49
Selective recognition of Pb(II) and Cr(III) by novel maleic hydrazide-based 1,2,3-triazole linked derivatives	49
Exploring 2-Pyrazoline derivatives as potent antidiabetic agents and cholinesterase inhibitors: Their synthesis and molecular docking studies	49
Emerging silver-doped strontium titanate nanostructures as photocatalysts for the degradation of organic pollutants under visible light	49
Investigations on synthesis, growth, crystal structure, thermal, Dielectric and Terahertz Transmission properties of Organic NLO Crystal : (2-(2-hydroxy-3-methoxystyryl)-1-methylquinolinium-4-methylbe	49
Comparative analysis of the interaction of oroxylin A with two sources of α-glucosidase and α-amylase	49
Effects of Femtosecond UV Laser Pulses on the Structure and Surface Dynamics of Medicinal Plants DNA, Monitored by Surface-Enhanced Raman Spectroscopy	49
Isatin-semicarbazone linked acetamide 1,2,3-triazole hybrids: Synthesis, antimicrobial evaluation and docking simulations	49
Synthesis, crystal structure, and chromotropism properties of Dihalo N-2-ethanolpicolylamine copper(II)	49
Raman spectroscopic study of cinnamyl-1 diphenylmethyl-4 piperazine (Cinnarizine) at high pressure	49
Nanostructured hexagonal S-doped CeO2 for effective Rh-B and MB dye degradation	48
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	48
Experimental and theoretical examinations of triazole linked saccharin derivatives as organic corrosion inhibitors for mild steel in hydrochloric acid	48
Study on the zinc ions binding to human lactoferrin	48
Recent Advances in The Green Synthesis and Biological Application of 2-Substituted Benzazoles	48
Photophysical analysis and Judd–Ofelt calculation of Eu (III) complexes: Influence of various neutral ligands on luminescent properties	48
Investigating two structurally different penta-coordinated trigonal bipyramidal Co(II) non-symmetric salamo-type complexes	48
Isostructural Hg(II) halide coordination polymers: A comparison of powder XRD, IR, emission and Hirshfeld Surface Analysis	48
A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation	48
Free radical scavenging behaviour of the plant-beneficial secondary metabolite 2,4-diacetylphloroglucinol derivatives under physiological conditions: A joint experimental and theoretical study	48
Structural and optical properties of salicyl-N-methyl-4-stilbazolium tosylate: Thermal, DFT, MEP and Hirshfeld surface analysis	48
Exploration of modified β-cyclodextrin compounds as enhanced eco-friendly and easily accessible corrosion inhibitors for carbon steel in hydrochloric acid	48
Modified pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as EGFRWT and EGFRT790M inhibitors: Design, synthesis, and anti-cancer evaluation	48
Synthesis, structural, spectroscopic and thermal studies of a decavanadate complex (C4NH10)4[H2V10O28].2H2O	48
Structural and photophysical properties of two-dimensional lead bromide hybrid perovskite (C8H17NH3)2PbBr4	48
Structural development of curcumin: A natural product arsenal for diverse therapeutic targets- seizing opportunities through serendipity and rational design	48
Room temperature palladium-catalyzed synthesis of novel unsymmetrical diamide scaffolds containing moieties of α-ketoester as potential antibacterial, antifungal and anticancer agents	47
Luminescence properties, tunable emission and energy transfer of Na3Sc2(PO4)3: Sm3+, Bi3+ phosphors	47
Two new multifunctional coordination polymers based on N-heterocyclic carboxylic acid ligand: Syntheses, structures and properties	47
Nanogels: An overview of properties, biomedical applications, future research trends and developments	47
Isatin derived morpholine and piperazine derivatives as acetylcholinesterase inhibitors	47
Qualitative and semi-quantitative phase analysis of TiO2 thin layers by Raman imaging	47
Discovery of novel dual acetylcholinesterase and butyrylcholinesterase inhibitors using machine learning and structure-based drug design	47
Investigation of embelin synthetic hybrids as potential COVID-19 and COX inhibitors: Synthesis, spectral analysis, DFT calculations and molecular docking studies	47
Quinoline-1,2,3-triazole hybrids: Design, synthesis, antimalarial and antimicrobial evaluation	47
Design, Synthesis, ADMET Analysis of Aryl Ethers based on 5-Nitro Indole: Their Molecular Docking Study based on TNF-α with Anti-inflammatory Activity	47
A computational study on the second-order nonlinear optical response of a new unsymmetrical oxovanadium complex	47
Synthesis, characterization of new heterocyclic compound: pyrazolyl hydrazino quinoxaline derivative: 3-[5-(hydroxy1methyl)-1-phenylpyrazol-3-yl]-2-[2, 4, 5-trimethoxybenzylidine] hydrazonyl-quinoxali	47
An insight into the recent developments in anti-infective potential of indole and associated hybrids	46
Synthesis and characterization of new purple and green heterocyclic dyes for dye-sensitized solar cells	46
Synthesis, bright red-emitting and low thermal quenching behavior of europium(Ⅲ)-activated sodium borophosphate phosphor	46
In situ reduction and self-alignment of reduced graphene oxide/poly(vinylidene fluoride) composite films: Toward high dielectric constant and suppressed loss	46
Theoretical investigation on CO oxidation by single nickel atom within two-dimensional porphyrin sheet	46
Synthesis of novel of Mn(II), Co(II), and Cu(II) Schiff base complexes and their high catalytic effect on bleaching performance with H2O2	46
Mixed ligand complexes of Pt(II) Tertiary phosphines and 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea; Crystal structure and DFT of [Pt(C14H9N3S2)(dppe)].CH2Cl2	46
Antioxidant capacity measurement based on κ-carrageenan stabilized and capped silver nanoparticles using green nanotechnology	46
A carbon quantum dot based on tetramethyl substituted cucurbit[6]uril and 2,7-dihydroxynaphthalene: Selective detection of Fe3+, ClO−and I−	46
Synthesis of tamsulosin precursor through palladium nanocatalytic hydrogenolysis: Crystal structure, DFT analysis, and ADME studies	46
Spectroscopic properties, crystal structure, Hirshfeld surface analysis and DFT study of a new Cu(II) complex based on quinazolinone O,N,O-donor ligand	46
Eu3+-anchoring Zirconium-organic framework for enhancing fluorescence sensing detection sensitivity towards Cr(VI) ions	46
Indapamide analogue a promising drug: Synthesis, a novel crystal structure, HSA/DFT/XRD, greener pastures biological study	46
Intramolecular resonance assisted N–H⋅⋅⋅O=C hydrogen bond and weak noncovalent interactions in two asymmetrically substituted geminal amido-esters: Crystal structures and quantum chemical exploration	46
Structure and optical properties of new nitro-derivatives of 2-N-alkiloamino-picoline N-oxide isomers	45
Sonochemical synthesis of Mn0.5Zn0.5ErxDyxFe2-2xO4 (x ≤ 0.1) spinel nanoferrites: Magnetic and textural investigation	45
Anticancer activity of new triazolopyrimidine linked coumarin and quinolone hybrids: Synthesis, molecular modeling, TrkA, PI3K/AKT and EGFR inhibition	45
Alcohol-bridged dinuclear dysprosium single-molecule magnets	45
Synthesis, characterization, crystal structure, molecular docking, and biological studies of Cu, Ni and Co metal complexes of pyrazole	45
A new zero-dimensional (0D) hybrid bismuth (III) halide: Synthesis, crystal structure, thermal analysis, photophysical properties and DFT calculations	45
Unexplored σ-hole and π-hole interactions in (X2CY)2 complexes (X = F, Cl; Y = O, S)	45
Synthesis and characterization of cinnamic acid based glyceride and its application for developing self-nanoemulsifying drug delivery system for curcumin oral delivery	45
N-(2,7-dimethyl-2-alkyl-2H-chromen-6-yl)sulfonamide derivatives as selective serotonin 5-HT6 receptor antagonists: Design, synthesis, and biological evaluation	45
Novel 1,3,4-oxadiazole-2- thiol derivatives: Unlocking the therapeutic potential as anti-inflammatory and anticancer agents	45
Synthesis of new pyrazolidines by [3+2] cycloaddition: Anticancer, antioxidant activities, and molecular docking studies	45
pH-induced structural variations of two new Mg(II)-PDA complexes: experimental and theoretical studies	45
New graphene oxide-phosphoramide nanocomposites as practical tools for biological applications including anti-bacteria, anti-fungi and anti-protein	45
Synthetic modifications of therapeutically relevant pre-assembled cucurbitacins: Synthetic strategies and structure-activity relationships	45
FT-IR, UV–Vis, density functional theory and molecular docking studies on 3,7,11,15-Tetramethyl-2hexadecen-1-ol	45
Investigation of HPW/SBA-15/PAni nanocomposite as a new heterogeneous catalyst in the ultrasound-assisted oxidative desulfurization process: Experimental, Statistical analysis and optimization	45
Luminescent Cd-MOF and its mixed matrix membrane as a chemical sensor for selective and reversible detection of folic acid and Fe3+, and visible fingerprint identifying	45
Green synthesis and characterization studies of biogenic zirconium oxide (ZrO2) nanoparticles for adsorptive removal of methylene blue dye	44
Enhanced optical, magnetic, and photocatalytic activity of Mg2+ substituted NiFe2O4 spinel nanoparticles	44
Metal-organic hybrids of tin(IV) with tuneable band gap: Synthesis, single crystal X-ray structural, BVS and Z-scan studies of 1-methylimidazolinium hexahalostannate(IV)	44
Self-assembly of semiconductor quantum dots with porphyrin chromophores: Energy relaxation processes and biomedical applications	44