Journal of Molecular Liquids

Article	Citations
Ionic complexes in liquid Li–K–Pb alloys	499
Molecular dynamic simulations on wetting transition of nanofluid on a single grooved structure	373
Deconstruction of technical grade diglycerol isostearate enables the controlled preparation of hexosomes and liposomes	365
Reply to “Comments on ‘Solubility and thermodynamic properties of an energetic intermediate in four binary solvents (water + n-butanol, n-pentanol, isobutanol and isoamyl alcohol)’”	312
Corrigendum to “Densities and viscosities of (ethylene glycol - water) and (1,3-propanediol - water) binary mixtures at high temperatures of 373.2 and 473.2 K and high pressures up to 40 MPa” [J Mol.	310
Investigation of micellization and thermodynamic properties of cationic gemini surfactant (12-2-O-2-12) in the presence of organic solvents	295
A physical picture of liquid–liquid phase separation of proteins	269
Molecular modeling and molecular dynamics investigations of water mediated diffusion of biogenic nanosilica into plant leaf’s epicuticular wax layer	219
Experimental and theoretical investigation of water sorption on lemon leaves: New perspectives with statistical physical modeling	218
Editorial Board	205
Self-assembly and phase transition of gold nanoclusters in natural deep eutectic solvent for visual detection of toxicants in water environment	203
Comment to the article “A crucial incorrect understanding in the traditional solution theory” from Zhong-Hua Yang and Kun-Peng Yang (J. Molecular Liq. 310 (2020) 112379)	189
A DFT-based study on CFBP: Structural, solvent spectroscopic analysis and ligand protein interaction with the antipsychotic characteristics	182
Evaluation and correlation of self-healing functionalized silane-based hybrid nanocomposite materials as corrosion inhibitor	174
Corrigendum to “Incorporation of MgO-humic acid in iron oxide based magnetic composite facilitates for effective remediation of lead, arsenic and bacterial effect in water” [J.Mol. Liquids 380 (2023)	163
Neutral polymer-pseudo polyelectrolyte transition of a post irradiated polymer dissolved in water	163
Tuning the CO2 absorption and physicochemical properties of K+ chelated dual functional ionic liquids by changing the structure of primary alkanolamine ligands	159
Hansen solubility parameters and green nanocarrier based removal of trimethoprim from contaminated aqueous solution	152
Editorial Board	150
Editorial Board	149
Molecular aggregation effect on the antagonistic adsorption of pharmaceuticals from aqueous solution using bone char: DFT calculations and multicomponent experimental studies	147
Difference in the hydration state of water at the hydrophobic interface of structural isomers of propanol investigated by U.V visible absorption and Raman spectroscopic study	146
Topological descriptors and Laplace spectra in simple hydrogen bonded systems	136
Multiwavelength spectrophotometric-thermodynamic studies of complexation reactions of newly synthesized triazenes with Hg2+, Pb2+, Zn2+, and Cd2+ in MeOH, EtOH, DMF, and DMSO	135
Retention characteristics, saturated vapor pressure and vaporization enthalpy of mesityl oxide ethers of linear alcohols C1–C5	128

Entropy-driven conformational transition of flexible Z-DNA to a novel non-B helix by double-methylated guanosine	127
Activation induced fluidization of a confined viscous liquid	126
Difference in aqueous solution structure at 293.2 and 473.2 K between ethanol and ethylene glycol via molecular dynamics	126
Editorial Board	125
Encapsulation of the quercetin with interpolyelectrolyte complex based on pillar[5]arenes	125
Molecular insights into the compression response of nitrogen/tetrafluoromethane liquid mixture from ab initio molecular dynamics	124
Traction behavior and mechanism of molecular level with effects of molecular structure and sliding velocity in boundary lubrication regime: A molecular dynamics study	120
Molecular insights into complex formation between scandenin and various types of β-cyclodextrin	120
Thermodynamic analysis and molecular dynamic simulation of the solubility of risperidone (form I) in the pure and binary solvents	119
Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulation	117
Nanoscale observations of specific ion effects on the interactions between calcite and oil during ion tuned water flooding	116
Thermodynamic study of interaction effects in aqueous solutions of purine and pyrimidine nucleobases ionic liquids at 298.15 K	116
Alkali halide force fields: Utilizing the melting temperature	112
Simulation study of solvent effect on competitive degradation of aggregation of homo- and hetero- amyloid-β dimers	110
Synthesis of carboxyl group functionalized polyhedral oligomeric silsesquioxane for fabricating ultrastable foams driven by high temperature and salinity	109
Monte Carlo simulation for the effect of chain stiffness on the free surface of polymer melts	107
Liquid-liquid equilibrium of binary ethanol–polyisobutene and ternary ethanol–water–polyisobutene systems under low- and high-pressure conditions: An assessment using the PC-SAFT equation of state	105
Evaluation of the influence of surface structure on tribological properties of the solid–liquid interface: Analytical and experimental assessment	105
Parallel (competitive) reactions of micelle formation and cyclodextrin–surfactant inclusion complex formation in aqueous solution: A consequence of the Gibbs–Duhem equation—invariance of the mass acti	101
Improving the separation of guaiacol from n-hexane by adding choline chloride to glycol extracting agents	101
Grafting tetradecyl methacrylate-carbic anhydride (CA) or tetradecyl methacrylate-tetrahydrophthalic anhydride (THPA) co-polymers onto surface-modified nano silica to develop of pour point depressants	101
Investigating the potential of eutectic gel-formed composites in developing energy-efficient windows	99
Polymer-stabilized blue phase liquid crystal devices with ultra-low hysteresis and driving stability	99
Investigation of polymer−surfactant complexes by both micellar solubilization and pre-column derivatization capillary electrophoresis	97
Mechanisms of electric field-induced interactions between nanodroplets transmitted through a graphene monolayer	97
Study on a Two-dimensional nanomaterial reinforced wormlike micellar system	97
Study for removing of silica nanoparticle in pure isopropyl alcohol with a cation exchange membrane	97
Prediction of the adsorption properties of liquid at solid surfaces with molecular scale surface roughness via encoding-decoding convolutional neural networks	96
Influence of salts on the surface behavior of α-chymotrypsinogen A in aqueous solutions at 298.15 K	95
Molecular simulation and experimental validation for surface tension of new Low-GWP refrigerant mixtures R32/CF3I and R1123/CF3I	95
Self-assembly modulation in star block copolymers by amphiphilic diol: A scattering insight	94
Comparative study on the physicochemical properties of N-SO3H functionalized ammonium and imidazolium ionic liquids	93
Corrosion inhibition of mild steel in 1 M HCl using 4-chlorothiobenzamide: Molecular and computational insights	92
Alternative approach to calculate thermodynamic enthalpy change ΔH for non-ideal fluids via equations of state	92
Non-covalent interactions in small thiophene clusters	91
Molecular simulation study of methane hydrate decomposition in the presence of hydrophilic and hydrophobic solid surfaces	89
Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts	89
Density, critical point, and the structure of supercritical ethanol–water mixtures	89
Insight to the thermodynamic properties and intermolecular interplay of ether-based ionic liquid mixtures composed of [C1OC2mPy][NTf2] and ACN/ GBL by a combined experimental and computational method	88
Application of aluminum nitride nanotubes as a promising nanocarriers for anticancer drug 5-aminosalicylic acid in drug delivery system	87
Immobilization of chalcone chemosensor into plasma-pretreated recycled polyester fibers toward multi-stimuli responsive textiles for detection of ammonia	87
Probing host guest inclusion complex and its applications by biophysical approach subsequently optimized by molecular docking	85
Predicting viscosity of ionic liquids - water mixtures by bridging UNIFAC modeling with interpretable machine learning	83
Double-Brønsted acidic deep eutectic solvents and their applications as solvents and catalysts in chemical transformations	82
Linear hydrophobic congeneric groups of bile acid anion derivatives based on the self-association (micellization) process and the phenomenon of enthalpy–entropy compensation	82
Exploring the molecular basis of tucatinib interaction with human serum albumin: A spectroscopic and computational analysis	82
Poly(tannic acid)-functionalized onion-like carbon nanoparticles derived from candle soot serving as potent lubricant additives	82
Experimental and theoretical study of the Favipiravir association in water solvent	81
A new magnetically separable zwitterionic copolymer hydrogel: Synthesis, characterization, and adsorption studies	81
Molecular dynamics study of the influence of water molecular phase state on the replacement of CO2–CH4 hydrate in porous media	81

Liquid-liquid equilibria for (polypropylene glycol 400 based magnetic ionic liquids + inorganic salts) aqueous two-phase systems at 298.15 K	81
Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active -argininium met	81
Hydrophobic eutectic solvents for sustainable recovery of carotenoids from mango peel: Extraction optimization and insights into molecular interactions at play	81
Synthesis and application of merrifield resin based supported ionic liquids as organocatalyst for the greener synthesis of bio-active triazoles	81
Complex formation of Zinc(II) ion with acetonitrile in ionic liquid [C2mim][TFSA] studied by 15N NMR spectroscopy and DFT calculation	81
Nano dance: Unraveling Ceria's self-assembly symphony	80
Molecular basis of the activity of a photoswitchable histone deacetylase inhibitor	80
Implementation of AdaBoost and genetic algorithm machine learning models in prediction of adsorption capacity of nanocomposite materials	80
Hydrogen bond-driven interactions between chitosan and biobased surfactants: A study of bulk behavior and surface adsorption	79
Mechanistic exploration of Perfluorooctanoic Acid-Induced Hen egg white lysozyme aggregation at physiological Conditions: Spectroscopic and thermodynamic insights	79
Encapsulation of 3-acetylcoumarin with acyclic cucurbit[n]urils: characterization/improved water solubility and thermal stability/retain biological activity	79
The adsorption of p-hydroxybenzoic acid on graphene oxide under different pH and in-situ desorption in direct current electric field	79
The concept of instantaneous supramolecules and its application to simulating the thermal conductivity of water-ethylene glycol mixtures	79
Editorial Board	79
Fabrication and evaluation of the zoledronic acid loaded cationic starch-hydroxyapatite-ZrO2 nanocomposites for bone disease treatment	79
An environmentally friendly photocatalyst for the breakdown of RhB, MB, 2,4-DCP, and TCAA: Reusable Fe3O4/Ag doped g-C3N4	79
Photophysics of a cyanine dye in the protein-surfactant aggregates	78
DFT study of difluoro & trifluoro bi-cyclohexane based dimer for application in electronic and optical devices	78
Molecular interactional study of SDS and CTAB in aqueous medium of anti-HIV drugs (Emtricitabine and Lamivudine) at different temperatures: A physicochemical investigation	78
Promoting dissolution behaviors of low-carbon alcohol polyoxyethylene polyoxypropylene ether in CO2 by molecular structure optimization and adding cosolvent	78
SAFT-γ force field for the simulation of molecular fluids 9: Coarse-grained	77
Interfacial behavior and emulsion stability of lipid delivery system regulated by two-dimensional facial amphiphiles bile salts	76
Local stress within a granular molecular solvent matrix, a mechanism for individual ion hydration	76
Advanced machine learning-based modeling of interfacial tension in the crude oil-brine-diethyl ether system: Insights into the effects of temperature and salinity	75
On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study	75
Enhancing electrolyte performance: A DFT study of ethanol-enhanced 1-butyl-3-methylimidazolium tetrafluoroborate complex systems adsorption on graphene surface	75
Synthesis of Adenosine 5-monophosphate monohydrate functionalized mesoporous Ag/CuO/MCM-41 nanostructures for enormous mineralization of insistent organic contaminants and photoinhibition of bacteria	73
Atomistic insights and tribological verification of partitioned functionalized graphene oxide dispersion properties	73
Thermophysical properties of binary mixtures of diethyl ether as oxygenate with cyclohexane and aromatic hydrocarbons	72
Unveiling the influence of fluorine substitution on NLO and vibrational Properties: A computational exploration of N-(4-decylphenyl)-1-(4-(pentyloxy)phenyl)methanimine liquid crystal derivatives	72
Modeling viscosity of SiO2-Al2O3-CaO based slags using Arrhenius and VFT models as well as the CALPHAD method	72
Atomistic insights into heat transfer and flow behaviors of nanofluids in nanochannels	72
Mixtures of cationic guar gum and anionic surfactants as stabilizers of zirconia suspensions	72
Radiolytic degradation of β-lactam and tetracycline antibiotics in the presence of protein	72
Research on dissolution of actarit in aqueous mixtures: Solubility determination and correlation, preferential solvation, solvent effect and thermodynamics	71
Biotin-functionalized silica nanoparticles loaded with Erythrosine B asselective photodynamic treatment for Glioblastoma Multiforme	71
Enhancing solubility of organic crystalline ingredients in aqueous phase through preferential spatial association with polyols	71
Unravelling the non-covalent interactions in certain n-propyl amine – Ether systems through acoustic and DFT studies at 303.15 K	71
Induced re-entrant SmA phase in binary mixtures of lactic acid derivatives	70
Green synthesis and histo-toxicological study of 2,3-dihydroquinazolin-4(1H)-ones catalysed by novel cellulose supported Bronsted acidic ionic liquid	70
Columnar mesomorphism in molecular alloys based on Halogen-Bridged PtII/PtIV mixed valence complexes. The key role of the PtII/PtIV ratio	70
Amino acid-based ionic liquids as water-ethylene glycol additives towards superior lubricity and corrosion resistance	69
Hybrid nanofluids based on WSe2-WO3 and a siloxane-based fluid with application in concentrated solar power	69
Next-generation biodegradable ionic liquids based on DNA nucleotide and amino acids: MM/QM/MD design, synthesis, and characterization	69
A comparative study for molecular insight on riparins (I–III) by quantum chemical, spectroscopic, and molecular docking methods	69
Coalescence of nanodroplets before critical miscibility: a case study of EtOH in 1,2 dichlorobenzene	69
Polarizabilities and electric field-induced forces in periodic two-component linear dielectric sphere chains	68
Affinity and putative entrance mechanisms of alkyl sulfates into the β-CD cavity	68
Fluctuation in diethylene glycol diethyl ether/water mixtures near the lower critical solution temperature studied by small- and wide-angle x-ray scattering and thermodynamic calculation	68
Solubility of glimepiride in mono- and mixed-solvents at various temperatures: Proposing practical strategy for industrial applications	68
The effect of alkyl chain on the corrosion inhibition of benzyldimethylammonium chloride in acidic environments	68
Hydrophobic solvation and liquid water: A theoretical investigation using thermodynamic perturbation and integral equations theory	67
Comparative scrutinize of BSA and HEWL in the vicinity of metallo-catanionic aggregates derived from single chain metallosurfactant and anionic surfactant	67
Griseofulvin in aqueous solutions of deep eutectic solvents based urea and polyethylene glycol: Solubility and density measurements	67
Inhibition of human epidermal growth factor receptor-2 protein by some alkaloid inhibitors	67
Insight into intermolecular interactions in ethyl acetate + alkyl acrylate binary systems at different temperatures by means of volumetric, ultrasonic, viscometric and optical properties: Experimental	66
Editorial Board	66
Optimizing the efficient removal of ibuprofen from water environment by magnetic carbon aerogel: kinetics, isotherms, and thermodynamic studies	66
Highly efficient mutual separation of Nd-Pr by the selective dissolution of Nd into an ionic liquid containing1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione	66
Growing nanoparticles to assemble a modern three-dimensional nanoarchitecture of Pt-Ru aerogel for advanced electrocatalysis	65
The diffusion characteristics of POSS under electric field and non-uniform temperature field in natural ester insulating oil	65
Retraction notice to “Structural (monomer and dimer), wavefunctional, NCI analysis in aqueous phase, electronic and excited state properties in different solvent atmosphere of 3-{(E)-[(3,4-dichlorophe	65
Comprehensive thermodynamic modeling framework for the estimation of physico-chemical properties of deep eutectic solvent-heavy crude oil system	65
The hydration effect on hydrogen bond strength in the second coordination sphere of ethylenediamine and glycine metal complexes	64
Design, antibacterial activity, computational analysis and molecular modeling study of a novel diimine-dioxime ligand and its Cu(II) complex	64
Photophysical study on synthesized triazolium ionic liquids and their stabilizing effect on native state of serum albumin	64
Gelation at oil–water interface by using dimethylcyclohexylamine/fatty acid-based surface-active ionic liquids	63
A cytostatic drug from the class of triazine derivatives: Its properties in aqueous solutions, cytotoxicity, and therapeutic activity	63
Surface engineered Nanofluids in geothermal systems: Experimental evaluation of enhancement in chemical and thermal stability of Nanofluids and numerical investigation of the effect of nanoparticles i	63
Utilizing different machine learning methods to accurately predict density, temperature, velocity, and thermal conductivity of hydrophilic, hydrophobic, and compound materials	63
Interaction of linezolid-bound magnetic iron oxide nanoparticle to β-cyclodextrin/DNA	63
Biperiden Hydrochloride/β -Cyclodextrins supramolecular system and its cytotoxicity against lung adenocarcinoma cells	62
CuCo2O4/CeO2 S-scheme photocatalyst for promoted CO2 photoreduction to CH3OH	62
Insight into the mechanism of asphaltene disaggregation by alkylated treatment: An experimental and theoretical investigation	62
Pluronics® based Penta block copolymer micelles as a precursor of smart aggregates for various applications: A review	62
Thermal hysteresis of mesoscopic phase transitions in fluid metals: From tantalum to aluminum and gold with their critical points and non-mean-field global diagrams	62
Lanthanides-based security inks with reversible luminescent switching and self-healing properties for advanced anti-counterfeiting	62
Rheology of high-temperature resistant fracturing fluids formed by VES, acids and oxidants for enhancing CO2 injection in deep coal seams	61
Density functional theory study on biodiesel production from yeast lipid catalyzed by imidazolium ionic liquid	61
Quantitative analysis of cordycepin's solvent-dependent thermodynamics: decoding hydrogen-bonding interactions via COSMO-RS σ-profiling	61

A CO2-responsive Janus SiO2 nanofluid: Integration of enhanced oil recovery and demulsification	61
The decisive role of filtration reducers’ surface charge in affecting drilling fluid filtration performance	61
Molecular dynamics study on bubble nucleation characteristics on rectangular Nano-Grooved surfaces	61
One-pot synthesized multifunctional carbon nitride dots for fluorescent sensing, bioimaging, and selective cytotoxic effect on cancer cells	61
Evaluation of tamoxifen analogues as potential estrogen receptor alpha inhibitors for breast cancer treatment: A computational approach	61
Solvent free synthesis of carbon modified hexagonal boron nitride nanorods for the adsorptive removal of aqueous phase emerging pollutants	61
Synthesis and characterization of new imidazolium based protic ionic liquids obtained by nitro- and cyano-functionalization	60
Nutraceutical formulated oil-in-water emulsion: Synthesis, characterization and biological applications	60
The use of carboxylated graphene oxides and related materials for the adsorption of metals and dyes: A review	60
Thermophysical properties analysis of graphene-added phase change materials and evaluation of enhanced heat transfer effect in underwater thermal vehicles	60
Synthesis and mesomorphism of 3,4-dialkoxyphenylpyridine complexes of silver(I)	60
Vapor-liquid equilibrium for dimethyl ether and three imidazolium ionic liquids as working pairs in absorption-refrigeration cycle	59
Electrochemical, thermodynamic, and physical properties of tetradecyltrihexylphosphonium ([P6,6, 6,14]+) and methyl-propyl piperidinium containing ionic liquids and their propylene carbonate solutions	59
Ionic liquid-mediated drug delivery: A review on progress and challenges focused on poly(ionic liquid) nanoplatforms	59
1D NOESY study of bicalutamide conformations in a supercritical CO2	59
Experimental and molecular dynamics studies of the effect of electrolytes on the interaction and energetics of the mixture of triton X-100 + metformin hydrochloride	59
Squaric acid driven supramolecular metallogels of Cd(II) and Zn(II): Sensitive inhibitors for multi-drug resistance ESKAPE pathogens	59
Investigate the dynamic compressive (cushioning) response of 3D GFRP composites when the STF matrix base material is modified PEG	58
Full relaxation dynamics recovery from ultrafast fluorescence experiments by means of the stochastic model: Does the solvent response dynamics depend on the fluorophore nature?	58
Effects of hydrogen-bonding functional groups of ammonium based-ionic liquids with Tf2N anion on the upper critical solution temperature in aqueous solutions	58
Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome	58
Understanding the pH-responsive behaviour of alkylamine surfactants	58
Integrating experimental and first-principles calculations to evaluate Gleditsiae Sinensis Fructus extract as an eco-friendly corrosion inhibitor for Q235 steel in acidic environment	58
Synergistic and antagonistic effects during solvent extraction of Gd(III) ion in ionic liquids	57
Mechanisms of surfactant improving water injection huff and puff efficiency in tight reservoir	57
Construction and modulation of dual responsive AIE supramolecular aggregates combined with quantum chemistry simulation	57
Local field and deformation of droplets in emulsions	57
Facile preparation of a remarkable MOF adsorbent for Au(III) selective separation from wastewater: Adsorption, regeneration and mechanism	57
Investigation of the phase behavior of an aqueous solution comprising anionic and cationic surfactant mixtures	57
Scale inhibition mechanism of itaconic acid-sodium methacrylate sulfonate on calcite: Quantum chemical calculation and molecular dynamics simulation	56
Insight into molecular mechanism of human insulin encapsulation into the polyacrylic acid/deoxycholic acid-modified chitosan nanogel: An experimental and molecular dynamics investigation	56
Experimental and theoretical study of 2-mercaptopyridine as an effective eco-friendly inhibitor for copper in aqueous NaCl	56
Water jumps over a nanogap between two disjoint carbon nanotubes assisted by thermal fluctuation	56
Potential energy surfaces of antiparallel water-water interactions	56
Molecular dynamic investigation on the thermophysical properties of binary molten carbonate mixtures	56
Aldose reductase inhibition properties of novel thiazolidin-2,4-diones: In vitro and in silico approach for the treatment of diabetes-related complications	56
Cellulose nanocrystals preparation from microcrystalline cellulose using ionic liquid-DMSO binary mixture as a processing medium	56
Structural and electronic impacts on corrosion inhibition activity of novel heterocyclic carboxamides derivatives on mild steel in 1 M HCl environment: Experimental and theoretical approaches	56
Optimizing parameters to improve PDMS surface wettability and the thermal conductivity analysis	56
Thermodynamic characterization of lysozyme-NAG3 binding in salt-rich mimetic extraterrestrial environments: Implications for protein function	55
Synthesis and performance of piperidinium-based ionic liquids as catalyst for biomass conversion into 3-acetamido-5-acetylfuran	55
Co-loading of doxorubicin and anti-cancer peptide LL-37 on covalently functionalized carbon nanotubes; a molecular dynamics simulation study	55
Charge-transfer chemistry of two corticosteroids used adjunctively to treat COVID-19. Part II: The CT reaction of hydrocortisone and dexamethasone donors with TCNQ and fluoranil acceptors in five orga	55
Influence of the cation partner on levulinate ionic liquids properties	55
Volumetric, transport and acoustic properties of binary mixtures containing alkanol at 298.15–318.15 K	55
Thermophysical characterization on water and ethylene glycol/water-based MgO and ZnO nanofluids at elevated temperatures: An experimental investigation	55
Effect of hydroxyl group on foam features of hydroxyl-based anionic ionic liquid surfactant: Experimental and theoretical studies	55
Improved performance of CNT-Pd modified Cu2O supported on Nickel foam for hydrogen evolution reaction in basic media	54
Supramolecular-based preparation of deep eutectic solvents synergized with carbon nanotubes for oxidative desulfurization of fuels	54
Machine learning analysis for the rheological mechanism of polysaccharide colloids	54
Rheology, viscoelasticity and microstructural properties of OAPB-SDS mixtures at different temperature and pH conditions	54
Study of the effect of high-temperature activation of quartz on the adsorption of gold cyanide	54
Keys to enhancing efficiency in nanoparticle-based foam EOR: Experimental insights into different types of surfactant-nanoparticle interactions	54
Unlocking the power of resonance Raman spectroscopy: The case of amides in aqueous solution	54
Surface-modified silica nanoparticles for enhanced oil recovery in sandstone cores	54
Tribological behavior of two novel choline acetate-based deep eutectic solvents	54
Catalytic reduction of toxins with metal nanoparticles fabricated in microgels and sodium borohydride: A comprehensive review	54
Inhibition of mild steel corrosion in 1 M H2SO4 by a gemini surfactant 1,6-hexyldiyl-bis-(dimethyldodecylammonium bromide): ANN, RSM predictive modeling, quantum chemical and MD simulation studies	54
Silver nanoparticles modified titanium carbide MXene composite for RSM-CCD optimised chloride removal from water	54
Highly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach	54
Novel and green hydroxyperylene imide based fluorescent polymer for calcium sulfate scale inhibition	53
Molecular simulation on structural and molecular properties of polymer-blend nanoparticles	53
Study on adsorption behaviors of different cresols: First-principles calculation	53
Thione tautomer of hydrazone-carbodithioate chelator-derived Cu(II) and Zn(II) complexes as potential antibacterial agents: DFT computations and UV-assisted photocatalytic degradation of Rose Bengal d	53
Acylhydrazone-functionalized triphenylamine V-shaped liquid crystals: Synthesis, columnar self-assembly, gel property and application for the detection of Cu2+	53
Carbon dioxide interaction with a series of ionic liquids consisting of fluorophenyltrifluoroborate anions studied by in situ ATR-FTIR spectroscopy	53
Anti-inflammatory drug diclofenac removal by a synthesized MgAl layered double hydroxide	53
Structural transition of a nanodroplet under an alternating electric field: Understandings and predictions from a dynamic density functional theory	52
Comparative study on encapsulation of four different flavonoids into pea protein isolate nanoparticles: The impact of glycosylation	52
Extraction of flavonoids from Butterfly blue pea (Clitoria ternatea) flower as carbon steel corrosion inhibitor in CO2 environment: Experimental and theoretical approaches	52
Study on OH radical oxidation of 4H-SiC in plasma based on ReaxFF molecular dynamics simulation	52
Facile synthesis of copper oxide nanoparticles (CuONPs) using green method to promote photocatalytic and biocidal applications	52
The interaction between the azo dye tartrazine and α-Chymotrypsin enzyme: Molecular dynamics simulation and multi-spectroscopic investigations	52
Riboflavin as a non-quinone redox mediator for enhanced Cr(VI) removal by Shewanella putrefaciens	52
Experimental and computational studies of the influence of non-ionic surfactants with coumarin moiety as corrosion inhibitors for carbon steel in 1.0 M HCl	52
Molecular-level insights into naproxen sodium adsorption on activated carbons using advanced multilayer modeling	51
Conformational analysis of etoricoxib: integrating NOESY spectroscopy and quantum-chemical calculations for polymorph screening	51
Inhibition effect of N-propargyl saccharin as corrosion inhibitor of C38 steel in 1 M HCl, experimental and theoretical study	51
Advances in ionic liquids for Parkinson's disease: from detection to in-vitro analysis	51
Electronic effect of X = S- and O-atoms in iron(II) thiophenyl/furyl imino-complexes in DNA interaction, biological features, and catalytic oxidative action of 1,2-cyclohexene	51
In situ gelling microemulsion for topical ocular delivery of moxifloxacin and betamethasone	51
Investigating the Age-Dependent behavior of MoS2-hBN nanohybrid additives on the rheological properties of diesel engine oil	51
Temperature-driven molecular aggregation and phase behavior in sec-butyl alcohol/water mixtures	50
Highly efficient removal of endocrine disrupting pesticides by metal ferrites loaded Guar gum based green nanomaterials	50
Probing the impact of bismuth-titanate based nanocomposite on the dielectric and electro-optical features of a nematic liquid crystal material	50
Aqueous dispersions of highly conductive carbon nanomaterials: Unusual aggregation mechanism	50
Thermodynamic study of binary mixtures of propilophenone + 2-propanol, 2-butanol, 2-pentanol, or 2-hexanol at temperatures of 293.15 to 323.15 K: Modeling by Prigogine-Flory-Patterson theory	49
Revealing the role of hydrogen bonding interactions and supramolecular complexes in lignin dissolution by deep eutectic solvents	49
Binary dyes adsorption onto novel designed magnetic clay-biopolymer hydrogel involves characterization and adsorption performance: Kinetic, equilibrium, thermodynamic, and adsorption mechanism	49
Multifunctional cationic pyridinium surfactants: molecular assemblies for drug solubilization and bioactive applications	49
Spectroscopic and computational study of molecular interaction of Pexidartinib with homologous mammalian transport proteins	49
Calculation of the formation enthalpies of charge-transfer complexes with iodine from the binding constants at 298.15 K	49
A critical review of main enhanced oil recovery mechanisms by considering recent applications of green and novel nanocomposites	49
Chromo-fluorogenic detection of Sarin, Tabun, and mustard gas mimics triggering the ring-opening reaction in a spirolactam-based probe	49
Determination of density, dynamic viscosity, surface tension, and refractive index of thymol-based hydrophobic eutectic solvents with analysis of their correlated properties	49