Journal of Molecular Structure

Article	Citations
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)	316
Assessment of VO2+ complexes with 6-(azouracil)-1‑hydroxy-3-methylbenzene as anti-cancer, anti-diabetes, and antioxidants, supported by DFT and molecular docking approach	308
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties	308
Noncovalent interactions and electron transfer between 1,3,5-trinitro-1,3,5-triazinane and Al3O3−	256
Matrix infrared spectroscopic and ab initio investigations of methylamine-CO2 and methylamine-CO2-water complexes	232
Synthesis of spirobifluorene derivatives via metal catalyzed C N and C C cross couplings: useful substrate for cadmium ion sensing	156
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”	150
Editorial Board	148
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family	126
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–1175	124
Editorial Board	117
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	115
Hybrid sulfonyl hydrazone compound containing thiotetrazole: Synthesis, characterization, potential ALS enzyme inhibitor property, and in silico studies	112
Structures, functionality, and catalytic performance of H2abda-based coordination polymers	112
Halochromaticity of a D-π-A based molecular optode for prediction of acid-base equilibrium in non-aqueous media	108
Influence of molecular architecture on biphenyl self-assemblies: Mesomorphic behaviour and computational aspects	103
In situ reduction and self-alignment of reduced graphene oxide/poly(vinylidene fluoride) composite films: Toward high dielectric constant and suppressed loss	100
The synthesis of quaternary N-alkyl tropinium cationic surfactants and study on their properties: effect of temperature, hydrophobic chain length and anions	99
Comparative analysis of the interaction of oroxylin A with two sources of α-glucosidase and α-amylase	99
Eu3+-anchoring Zirconium-organic framework for enhancing fluorescence sensing detection sensitivity towards Cr(VI) ions	96
Two new multifunctional coordination polymers based on N-heterocyclic carboxylic acid ligand: Syntheses, structures and properties	94
Comprehensive analysis of optical properties, vibrational and antibacterial study of a novel Antimony(III) halide semiconductor templated by 2-methylimidazole	93
Effect of sodium dodecyl sulfate on the dielectric and electrical properties of poly (vinylidene fluoride)-zinc ferrite composites	93
On the structure of the anticoagulants acenocoumarol and warfarin: an NMR and theoretical study	93
Designing isoquinoline-based orange emissive Ir(III) complexes featuring different auxiliary ligands for solution-processed OLEDs	93

Magnetic Fe3O4 nanoparticles in melamine-based ternary deep eutectic solvent as a novel eco-compatible system for green synthesis of pyrido[2,3-d]pyrimidine derivatives	91
Influence of methyl substituents on the conformational stability of Si3N3(CH3)6: molecules first principles and FT-IR matrix isolation study	91
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation	91
Structural and photophysical properties of two-dimensional lead bromide hybrid perovskite (C8H17NH3)2PbBr4	91
A facile and green synthesis of pyrano[2,3-d]pyrimidine derivatives using new Fe3O4/NH2-MIL101(Fe)-SO3H magnetic recoverable heterogeneous nanocatalyst: Structural, biological and computational invest	90
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection	90
Exploration of modified β-cyclodextrin compounds as enhanced eco-friendly and easily accessible corrosion inhibitors for carbon steel in hydrochloric acid	89
Synthesis of selenium-based BOPHY sensor for imaging of Cu(II) in living HeLa cells	88
Enhanced phase transition temperature achieved by CH3/H substitution in Sn-based perovskite	88
Novel Zinc and Vanadium (V) Hydroquinonate Complexes: Synthesis and Biological Solution Evaluation	87
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	87
In-situ grown MXene@PDA/MOF composites constructed electrochemical sensor for detecting trace l-cysteine	86
Knoevenagel condensation of acetonedicarboxylates with aldehydes	86
Physicochemical and biological properties of copper(II) complexes with tryptophan metabolites: Quinaldic acid, kynurenic acid and xanthurenic acid	84
Exploring physicochemical traits of a novel DSDA single crystal grown via the fusion of new diphenylamine anion for optical limiting applications	82
A homochiral Nickel(II) complex [Ni(P'N)2]Cl2: Synthesis, characterization, crystal structure, luminescence, DFT and Hirshfeld surface studies	82
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies	82
2-azidobenzaldehyde: A versatile scaffold for the generation of N‐heterocyclic compounds	81
Three α-aminophosphonate derivatives as potential inhibitors of SARS-CoV-2 main protease: Synthesis, DFT study, ADME-T properties, and molecular dynamics simulations	79
Solvent-assisted substitution of chloro‑ligands by N-heterocycles in ruthenium nitrosyl complex	78
Synthesis, crystal structure, and chromotropism properties of Dihalo N-2-ethanolpicolylamine copper(II)	78
Growth, structural characterization and third-order NLO investigation of novel centrosymmetric 2-amino-5-chloropyridinium adipate-adipic acid (2A5ClPAA) crystal	78
Synthesis, characterization, crystal structure, DFT study, antimicrobial and anticancer activities of a novel Cu(II) complex derived from N-(furan-2-ylmethyl)-1 (5-methyl-1H-pyrazol-3-yl)methanimine	78
Editorial Board	78
Tuning electrochemical behavior and band gap energy of ammonium phosphomolybdate/polymer composite and facilitate reduction of Cr(VI) in contaminated water	77
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation	77
Evaluation of gradient boosting and deep learning algorithms in dimuon production	77
Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted β-diketonate ligand	77
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties	76
A novel dual three and five-component reactions between dimedone, aryl aldehydes, and 1-naphthylamine: synthesis and computational studies	76
One-pot synthesis of diverse isoindolobenzoxazinone and isoindoloquinazolinone derivatives through a transition metal-free cascade cyclization	76
Spectroscopic properties, crystal structure, Hirshfeld surface analysis and DFT study of a new Cu(II) complex based on quinazolinone O,N,O-donor ligand	75
Synthesis, bright red-emitting and low thermal quenching behavior of europium(Ⅲ)-activated sodium borophosphate phosphor	74
A green spectrophotometric method for daclatasvir analysis: Ion-associate formation and theoretical validation	74
A novel orange red emitting Li2Ba3(P2O7)2:VO2+ nanophosphor for high CRI LED applications using wet-chemical synthesis	74
Water adsorption and framework evolution in AlPO4-5: An infrared spectroscopic study	73
A new zero-dimensional (0D) hybrid bismuth (III) halide: Synthesis, crystal structure, thermal analysis, photophysical properties and DFT calculations	72
Binaphthanol-derived emitters with aggregation-induced emission, acidochromic and chiral optical properties	72
Editorial Board	72
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	72
New acetophenone scaffolds: Synthesis, antifungal activities, biocompatibility, molecular docking, ADMET analysis and dynamic simulations	71
Targeting carbonic anhydrases II/IX/XII with novel series of coumarin-based compounds: Synthesis, biological activity and molecular dynamics analysis	71
Influence of buffer layer on optoelectronic properties of B-Mg co-doped ZnO ultrathin film for high-performance transparent conductor application	71
pH-induced structural variations of two new Mg(II)-PDA complexes: experimental and theoretical studies	71
Enhancing intermolecular interactions through side-group halogenation in dithieno[3,2-b:2′,3′-d]benzo[1,2-b:4,5-b']dithiophene copolymers for semi-transparent organic solar cells	71
Synthesis, crystal structure and metal ion sensing ability of novel 4-amino-3-nitroso-2H-chromen-2-one: Interaction studies with calf thymus-DNA	71
Construction of broad-spectrum-responsive D–A Type COF photocatalysts with mechanistic insights into visible-light-driven tetracycline degradation	70
Influence of counter ions on supramolecular structures of copper(II) complexes derived from 1,8-naphthalimide tecton	70
Probing the Fermi resonance of pyridine surrounded by hydrogen bonding network by density functional theory	70
Synthesis, luminescence properties and computation studies of two-coordinate N-heterocyclic carbene (NHC) copper(I) complexes bearing quinoline derivatives as ligands	70

Free radical scavenging behaviour of the plant-beneficial secondary metabolite 2,4-diacetylphloroglucinol derivatives under physiological conditions: A joint experimental and theoretical study	70
Crystalline aloe-emodin reduce β-amyloid-induced toxicity in Caenorhabditis elegans with visualization of ingestion	69
Microwave-assisted synthesis, characterizations, antimicrobial activities, and DFT studies on some pyridine derived Schiff bases	69
Triazole-hydroxy naphthalimide hybrid as a fluorescent molecular tool for antifungal therapy and imaging: Experimental and theoretical investigations	69
Construction of covalent triazine frameworks (CTFs) based on imine bonds for efficient adsorption of Hg2+ from water	69
Synthesis, characterization, non-linear optical and DNA binding properties of a Schiff base ligand and its Cu(II) and Zn(II) complexes	68
FT-IR, UV–Vis, density functional theory and molecular docking studies on 3,7,11,15-Tetramethyl-2hexadecen-1-ol	67
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	67
Novel nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, DFT study and Anticancer activities	67
Synthesis, structural characterization, and antibacterial activity of a Silver(I) complex with trimethoprim: A comprehensive study combining X-ray crystallography, Hirshfeld surface analysis, DFT calc	67
Qualitative and semi-quantitative phase analysis of TiO2 thin layers by Raman imaging	67
Luminescence properties, tunable emission and energy transfer of Na3Sc2(PO4)3: Sm3+, Bi3+ phosphors	66
Efficient toxic doxorubicin hydrochloride removal from aqueous solutions using facial alumina nanorods	66
Ratiometric fluorescence sensing of hypochlorite ion by dansyl hydrazine - Spectroscopic and TD-DFT studies	65
Green synthesis of benzimidazoles via the palladium catalyzed one-pot reductive coupling of nitroarylamines with nitriles	65
Synthesis and characterization of cinnamic acid based glyceride and its application for developing self-nanoemulsifying drug delivery system for curcumin oral delivery	65
A green, deep eutectic solvent mediated one-pot synthesis, characterisation, molecular docking studies, and antitubercular activities of dihydropyrimido[4,5-b]naphthyridine derivatives	64
Investigating two structurally different penta-coordinated trigonal bipyramidal Co(II) non-symmetric salamo-type complexes	64
A nickel(II) trinuclear heteroleptic coordination compound derived from nickel acetate and a mixture of salicylaldehyde and cyclohexylamine	64
Theoretical investigation on CO oxidation by single nickel atom within two-dimensional porphyrin sheet	64
Ni-Fe-Pd catalyst for antibiotics removal through the photo-catalytic effect and water electrolyzer for hydrogen production via electro catalytic energy application	64
X-ray crystallography, molecular structure investigation, quantum chemical studies, and molecular dynamic of rheosmin as inhibitors of hemorrhagic Lassa Virus	63
Chelated calcium 1D coordination polymer: Crystal growth, characterization and Z scan studies	63
Combined synthetic and solubility aspects of orotate salt of bilastine	63
Synthesis, In silico studies and antitumor activity of new 4-bromo-2-(1H-1,2,4-triazol-3-yl)aniline derived schiff bases	63
Synthesis and characterization of new purple and green heterocyclic dyes for dye-sensitized solar cells	63
Corrigendum to ‘Synthesis, molecular docking, anti-cancer activity, and in-silico ADME analysis of novel spiroacenaphthylene pyrrolizidine derivatives’	62
Corrigendum to “Computational Drug Design and Synthesis of Novel Compounds against Enzymatic Targets Involved in Urinary Disorders” [Journal of Molecular Structure, 1349(Part 2) (2026), 143715]	62
Experimental and computational studies on copper(II) Schiff base complex derived from 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one	62
A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation	62
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	62
Stereo and regioselective synthesis, structural elucidation and antibacterial activity of novel spiropyrrolidine embedded with two units of oxindoles	62
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	62
The effect of halo-substituents on physical properties based on 1,3,5-triarylbenzenes: Synthesis, crystal structure and Hirshfeld surface	62
Synthesis, crystal structure, electronic properties, and molecular docking study of bis [5-imino-7-phenyl-5H-thiazolo[3,2-a] pyrimidine-6-carbonitrile]	62
Conformational polymorphs and solvates of 1-(6-aminopyridin2-yl)-3-phenylthiourea	61
Comprehensive studies of spiropyrrolidines towards spectroscopic characterization, X-ray diffraction, Hirshfeld surface and DFT computations	61
Construction of cucurbit[8]uril-based metal supramolecular framework for efficient iodine adsorption	61
Copper and silver nano-schiff base complexes: Efficient catalysts for triazole synthesis and antimicrobial assessment	61
Improved singlet oxygen generation of axially ruthenium(II) complex substituted silicon(IV) phthalocyanine by sono-photochemical studies	61
Multi-functional Cd-based metal organic frameworks for turn-off fluorescence sensing of Fe3+, 4-NP and efficient catalysis for Biginelli reaction	61
Investigation on the pharmacological profile for new synthesized bis heterocyclic analogs containing nitrogen atom as anti-cancer therapy target	61
Hydrazone-linked isatin-pyridine hybrids for EGFR inhibition: Insights from density functional and molecular docking analyses	60
Synthesis, structural analysis, and computational investigations of 4-(((5-(p-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl) methylene)amino)-5-methyl-4H-1,2,4-triazole-3-thione	60
Synthesis, single crystal X-ray analysis and vibrational spectral studies of 3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5‑dione	60
Facile One-Pot Synthesis of Novel Indole-Pyrimidine Fusion Compounds as Dual agent for Anticancer and Antibacterial treatment: Insights from Multifaceted Drug Discovery Approaches	60
Preparation of cellulose-based carbon aerogel composite zinc oxide nanomaterials and their photocatalytic properties	60
Editorial Board	59
Design and preparation of multiple mode and multiple stimuli-responsive crystalline material based on Mn (II) and 4,4′-azodibenzoic acid and its acidic-alkaline and light stimulus response characteris	59
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	59
A novel mitochondria targeting near-infrared fluorescent probe for specific visualization of toxic hydrazine in aqueous environments, live cells and zebrafish	59
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]	59
Oxadiazole-based COX-2 inhibitors: Synthetic development, computational insight and biological evaluation for orthopedic therapeutics	59
Iodides and polyiodides of l-arginine	58
Molecular mechanism of TRα endocrine disruption induced by polychlorinated biphenyls and major metabolites: A combination of computational simulation and spectroscopic analysis	58
Synthesis, structural modification and characterization of indomethacin‑oxazol hybrids with enhanced gastrointestinal safety and anti‑inflammatory efficacy	58
An insight into the recent developments in anti-infective potential of indole and associated hybrids	58
Synthesis, characterization, in silico analysis, molecular docking, and BSA binding of diethylenetriamine-derivatized sulfonamide ligands and their rhenium tricarbonyl complexes	58
Sonochemical synthesis of Mn0.5Zn0.5ErxDyxFe2-2xO4 (x ≤ 0.1) spinel nanoferrites: Magnetic and textural investigation	58
Synergistic behaviour of silatrane functionalized perylene diimide dye and carbon quantum dots for enhancing photovoltaic performance	58
Isatin derived morpholine and piperazine derivatives as acetylcholinesterase inhibitors	58
Vibrational spectroscopy detection and analysis of the famotidine-barbituric acid binary co-crystal	58
Multifunctional Ln-complex luminescent sensors: turn-on Cd2+ detection and turn-off response to Cu2+/amion acids	58
Molecular design and structural characterization of thiocarbohydrazide-derived azomethine-linked polybenzoxazine with antibacterial properties for cotton fabric applications	57
Controlled aggregation of unsymmetrical amphiphilic perylene diimide derivative into nanosheets	57
Small molecule N-heteroatomic fluorophores: Bridging chemistry, principles and photophysical properties for biomedical applications	57
Synthesis, crystal structure, spectral properties, molecular docking, and Hirshfeld surface analysis of [Ru(bpy)2(NHC)(AN)]+2	57
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	57
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	57
C5-arylidene rhodanine scaffolds from L-phenylalanine and core structures: Synthesis and anticancer evaluation	56
Discovery of pyran annulated heterocyclic scaffolds linked to carboxamide fragments: Anticancer evaluation, topoisomerase I/II, tyrosine kinase receptor inhibition and molecular docking studies	56
Enhancing photocatalytic dye degradation efficiency through the utilization of shock wave effects on neodymium oxide (Nd2O3)	56
Exploring 2-Pyrazoline derivatives as potent antidiabetic agents and cholinesterase inhibitors: Their synthesis and molecular docking studies	56
Regioselective synthesis of spirooxindole-pyrolidine via (GAP) chemistry process: Experimental and DFT study	56
Experimental and computational studies of organic 4-[[(4-chlorophenyl)imino]methyl]phenol single crystals for optic and biological applications	56
Investigation of embelin synthetic hybrids as potential COVID-19 and COX inhibitors: Synthesis, spectral analysis, DFT calculations and molecular docking studies	56
Modified pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as EGFRWT and EGFRT790M inhibitors: Design, synthesis, and anti-cancer evaluation	55
Experimental and theoretical studies on a salamo-derived biscompartmental ligand and its rare tetranuclear Zn(II) complexes containing solvent effect	55
Regio- and stereoselective synthesis of dispiropyrrolizidines through 1,3-dipolar cycloaddition reaction: Inhibition of KRAS expression	55
Doxorubicin-loaded mPEG-pPAd-mPEG triblock polymeric nanoparticles for drug delivery systems: Preparation and in vitro evaluation	55

Exploration of Polyhydroquinoline (PHQ) derivatives for antibacterial effects: Synthesis, biological screening, and in-silico evaluation	55
Cytotoxic, antimicrobial, and angiogenesis inhibition activity of novel Cobalt(II) complexes of substituted benzimidazole: Molecular docking simulation and Inhibition kinetics	55
Novel thiadiazol derivatives; design, synthesis, biological activity, molecular docking and molecular dynamics	55
Selective recognition of Pb(II) and Cr(III) by novel maleic hydrazide-based 1,2,3-triazole linked derivatives	55
Design, synthesis, ADMET analysis of aryl ethers based on 5-nitro indole: Their molecular docking study based on TNF-α with anti-inflammatory activity	55
Exploring the electronic and NLO properties of hydrazinylthiazoles based carboxylates: Synthesis, spectroscopic and DFT studies	55
Iminomethyl-based copper complexes as precursors for copper oxide nanoparticles and investigations on protein interaction studies	54
A straightforward synthesis of methylenebisamides from amides and DMSO with a substoichiometric amount of (COCl)2	54
Influence of electron density on the biological activity of aniline substituted Schiff base: in silico, in vivo and in vitro authentication	54
Thermophysical, spectroscopic, ADMET and computational insight of drug-drug interactions in aqueous environment for enhancing therapeutic efficacy, effective drug design and safe drug delivery systems	54
Synthesis of benzopyrans and evaluation of cytotoxicity against ER-MCF-7 cell lines	54
Facile synthesis, pharmacological and In silico analysis of succinimide derivatives: An approach towards drug discovery	54
Structural and photoelectric properties of ionic liquid crystals tuned by CdS and carbon quantum dots	53
Studies of "drug-drug" multi-component crystals of trimethoprim and probenecid	53
Synthesis, spectral characterization, DFT-computational analyses on Novel 4-nitrobenzenaminium benzenesulfonate (4NBASA) crystal	53
Synthesis, crystal growth and characterization of piperazinium 5-nitrosalicylate (P5NS) single crystal for nonlinear optical (NLO) applications	53
Synthesis of novel of Mn(II), Co(II), and Cu(II) Schiff base complexes and their high catalytic effect on bleaching performance with H2O2	53
Synthesis, characterization of new heterocyclic compound: pyrazolyl hydrazino quinoxaline derivative: 3-[5-(hydroxy1methyl)-1-phenylpyrazol-3-yl]-2-[2, 4, 5-trimethoxybenzylidine] hydrazonyl-quinoxali	53
HTIB-Driven cascade approach towards C-C bond formation: Synthetic, crystallographic and computational exploration of α-heteroaryl-β,β-ditosyloxy ketones	53
New naphthoquinones isolated from the Arnebia euchroma (Royle) Johnst. and their anti-proliferative activities in HaCaT cells	53
Synthesis, characterization, crystal structure, molecular docking, and biological studies of Cu, Ni and Co metal complexes of pyrazole	53
Magnetically recyclable nano-sized Fe3O4@TiO2 heterogeneous photocatalyst for 2-substituted benzimidazoles synthesis under visible light	53
Synthesis and molecular dynamics simulation study of sulfonohydrazides as urease inhibitors	53
A distinct polymorphic form of 2-amino-5-nitrobenzophenone: crystal structure, Hirshfeld surface analysis and structure-based DFT study	53
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	53
Design, synthesis, and spectroscopic characterization of novel quercetin schiff base derivatives: In vitro analyses on HeLa, and MCF-7 cell lines	52
A review of 9, 9-Dimethyl-9, 10-dihydroacridine (DMAC) derivatives as thermally activated delayed fluorescence emitters in OLED applications	52
Syzygium cumini derived carbon dot: Design, synthesis and fluorescent sensing abilities towards selective identification of Fe³⁺ and Cu²⁺ ions	52
Synthesis of new pyrazolidines by [3+2] cycloaddition: Anticancer, antioxidant activities, and molecular docking studies	52
Tuning the fluorescence emission of water-stable CsPb(Br/I)3 perovskite nanocrystal probes for naked-eye visual detection of mercury ion	52
Interaction of amantadine with squaric acid and water; Crystal structure, spectroscopic and DFT analysis	52
Synthesis and characterization of molybdenum trioxide with an orthorhombic crystal structure for supercritical water gasification application	52
Preparation and application of Bi4O7/Cu-BiOCl heterojunction photocatalyst for photocatalytic degradation of tetracycline under visible light	52
Editorial Board	52
A series of dinuclear lanthanide complexes: Structure and zero-field dynamic magnetic behavior	52
Molecular interactions of phthalate esters with transthyretin: Spectroscopy, Molecular simulations, and DFT analysis	52
Analysing and fabricating CoxV1-xSe2 thin film by ultrasonic spray coating method	51
Targeting Mycobacterium Tuberculosis with Azotic-Grafted 3D-Spirochromanone Derivatives: Synthesis, Molecular Docking, and DFT Studies	51
Biological activity evaluation and molecular docking studies of newly synthesized phenylamino derivatives	51
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	51
Integrated computational and experimental identification of high-affinity aptamers for aflatoxin B1 detection	51
Exploring the polymorphism of selective androgen receptor modulator YK11	51
Investigation of charge transfer complexes between luteolin and DNA nucleotides using experimental and computational methods	50
Experimental and theoretical investigation of structure-magnetic properties relationships in a new heteroleptic one-dimensional triple bridged azido/acetato/DMSO copper (II) coordination polymer	50
Synthesis, physico-chemical characterization and quantum chemical studies of 2, 3-dimethyl quinoxalinium-5-sulphosalicylate crystal	50
Chemo- and regioselective controlled synthesis and thermal analysis characterization of trifluoromethyl polypyrazoles	50
Influence of cation size on the self-assembly of gold bis(dithiolate) complexes: From discrete cations to 1D coordination polymers	50
RETRACTED: Adsorption of Pb(II) ions from aqueous solutions by magnetite (Fe3O4) nanoparticles functionalized with two different Schiff base ligands	50
New Schiff base ligands and their homoleptic Co(II)/Cu(II) complexes: synthesis, characterization and photocatalytic properties for degradation of methylene blue	50
A carbon quantum dot based on tetramethyl substituted cucurbit[6]uril and 2,7-dihydroxynaphthalene: Selective detection of Fe3+, ClO−and I−	50
Visible-light-mediated synthesis, NMR analysis and X-ray crystal structure of dihydrocyclobuta[b]naphthalene-3,8-diones	50
Green synthesis of novel bis structure of (Carbamothioyl) oxalamide derivatives as corrosion inhibitors for copper in 3.5% NaCl; experimental and theoretical investigation	50
Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study	49
Synthesis, structural analysis, computational investigation, and cytotoxicity studies of new copper(II) coordination polymers	49
Room temperature palladium-catalyzed synthesis of novel unsymmetrical diamide scaffolds containing moieties of α-ketoester as potential antibacterial, antifungal and anticancer agents	49
Y-shape pyridine-based D-π-A chromophores for improved nonlinear optical properties and optical limiting in polyurethanes	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
Migration of donor group for ACQ to AIE: The design and characterization of novel Rofecoxib-based AIEgens as multifunctional fluorophores	49
A green synthesis, DFT calculations, and molecular docking study of some new indeno[2,1-b]quinoxalines containing thiazole moiety	49
Novel anti-breast cancer agents of phenylazopyrazole derivatives: Design, synthesis, Topo IIα inhibitors with potential cytotoxic activity, docking, toxicity and ADME studies	49
DFT calculations of photophysical properties of ethylen-dioxy-thiophen derivatives oligomers with optoelectronic functionalities	48
Emerging silver-doped strontium titanate nanostructures as photocatalysts for the degradation of organic pollutants under visible light	48
Experimental and computational investigation of a novel organic cation hexachlorostannate (IV) material (CHNO)(SnCl)	48
A precise flexible printed biosensor based on graphene ink decorated with N-doped graphene quantum dots	48
Enhanced optical, magnetic, and photocatalytic activity of Mg2+ substituted NiFe2O4 spinel nanoparticles	48
Fabricating efficient SnO2/hydrochar heterojunction visible light photocatalyst for Cr(VI) reduction	48
Synthesis, Structural Characterization, DFT Calculations, and Molecular Docking of a Novel Quinoline Derivative	48
Experimental and computational chemistry investigation of the molecular structures of new synthetic quinazolinone derivatives as acid corrosion inhibitors for mild steel	48
Quinoline-1,2,3-triazole hybrids: Design, synthesis, antimalarial and antimicrobial evaluation	48
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	47
Synthesis, Structure and DNA-binding Property of a 14 Nuclear Silver(I) Ferrocenylacetylide Cluster	47
Synthesis and anti-cancer properties of Pd(II) and Pt(II) coordination compounds of heterocyclic Schiff base ligands	47
Synthesis and characterization of aza[7]helicenes	47
Crafting copper complexes of variable nuclearity and coordination geometry through solvent tailoring: Unveiling novel structure, magnetic insight and computational marvels	47
Nanostructured hexagonal S-doped CeO2 for effective Rh-B and MB dye degradation	47
Highly enantioselective [3+2] annulation of 4-amino-isoxazoles with quinone monoimines to access structurally diverse isoxazoline fused dihydrobenzofurans and antifungal evaluation	47
Exploring the molecular structure of green-synthesized aza-michael addition products: 2D NMR confirms novel pyrazoles	47
Structural development of curcumin: A natural product arsenal for diverse therapeutic targets- seizing opportunities through serendipity and rational design	46
Synthesis and properties of copper doped zinc oxide thin films by sol-gel, spin coating and dipping: A characterization review	46
Isatin-semicarbazone linked acetamide 1,2,3-triazole hybrids: Synthesis, antimicrobial evaluation and docking simulations	46
Novel 1,3,4-oxadiazole-2- thiol derivatives: Unlocking the therapeutic potential as anti-inflammatory and anticancer agents	46
Anticancer activity of new triazolopyrimidine linked coumarin and quinolone hybrids: Synthesis, molecular modeling, TrkA, PI3K/AKT and EGFR inhibition	46
Recent development of Schiff-base metal complexes as therapeutic agents for lung cancer	46
Corrosion inhibition performance of rapeseed meal refluxed and ultrasonic extracts on cold rolled steel in hydrochloric acid medium: combining experimental with theoretical insights	46
Experimental and theoretical investigation of cyclohexane halogenation catalysed by mono- and trinuclear Cu(II) complexes	46
A Multiple-fold interpenetrating 3D hydrogen-bonded organic framework (TCBPE-DPNDI): Enhanced stability and luminescent properties for LED application	46
Synthetic modifications of therapeutically relevant pre-assembled cucurbitacins: Synthetic strategies and structure-activity relationships	46
Novel Schiff base decorated cyclotriphosphazene chemosensors for Fe and Cu ions detection	46
Structural, supramolecular analysis, and photoluminescence properties of a new hydroxybenzohydrazide Schiff base	46
Site-differentiated ligand substitutions of the incomplete-cubane type W-Fe-S clusters	46
Easy obtention of tin(II) complexes by using semicarbazones in their hydrochloride forms	46
Design and synthesis of anti–inflammatory 1,2,3–triazolylpyrrolobenzodiazepinone derivatives and impact of molecular structure on COX–2 selective targeting	45
Experimental, spectroscopic analysis, DFT and molecular docking studies of pyridine based biologically active anti-fungal drug derivative of para-benzoquinone and benzimidazole	45
A red emission tetraphenyl ethylene-fused rhodamine dye for viscosity sensing and mitochondria-targeted cell imaging	45
Effect of graphene content on the electrochemical and dielectric properties of metallopolymer-based composites	45