Journal of Molecular Liquids

Article	Citations
Ionic complexes in liquid Li–K–Pb alloys	485
Molecular dynamic simulations on wetting transition of nanofluid on a single grooved structure	354
Deconstruction of technical grade diglycerol isostearate enables the controlled preparation of hexosomes and liposomes	346
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)’”	307
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.	306
Investigation of micellization and thermodynamic properties of cationic gemini surfactant (12-2-O-2-12) in the presence of organic solvents	290
Probing host guest inclusion complex and its applications by biophysical approach subsequently optimized by molecular docking	253
Density functional theory study on biodiesel production from yeast lipid catalyzed by imidazolium ionic liquid	211
A physical picture of liquid–liquid phase separation of proteins	205
Molecular modeling and molecular dynamics investigations of water mediated diffusion of biogenic nanosilica into plant leaf’s epicuticular wax layer	194
Catalytic reduction of toxins with metal nanoparticles fabricated in microgels and sodium borohydride: A comprehensive review	187
Experimental and theoretical investigation of water sorption on lemon leaves: New perspectives with statistical physical modeling	181
Editorial Board	172
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	170
Self-assembly and phase transition of gold nanoclusters in natural deep eutectic solvent for visual detection of toxicants in water environment	159
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)	157
Physicochemical properties of ionic liquids with indole removal function	156
On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study	149
Evaluation and correlation of self-healing functionalized silane-based hybrid nanocomposite materials as corrosion inhibitor	147
A DFT-based study on CFBP: Structural, solvent spectroscopic analysis and ligand protein interaction with the antipsychotic characteristics	147
Thermophysical properties of binary mixtures of diethyl ether as oxygenate with cyclohexane and aromatic hydrocarbons	142
Neutral polymer-pseudo polyelectrolyte transition of a post irradiated polymer dissolved in water	142
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)	136
Rheology of high-temperature resistant fracturing fluids formed by VES, acids and oxidants for enhancing CO2 injection in deep coal seams	135
Molecular dynamics study of the influence of water molecular phase state on the replacement of CO2–CH4 hydrate in porous media	134

Hansen solubility parameters and green nanocarrier based removal of trimethoprim from contaminated aqueous solution	125
Tuning the CO2 absorption and physicochemical properties of K+ chelated dual functional ionic liquids by changing the structure of primary alkanolamine ligands	125
Editorial Board	124
Editorial Board	122
Molecular aggregation effect on the antagonistic adsorption of pharmaceuticals from aqueous solution using bone char: DFT calculations and multicomponent experimental studies	121
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	120
Retention characteristics, saturated vapor pressure and vaporization enthalpy of mesityl oxide ethers of linear alcohols C1–C5	119
Topological descriptors and Laplace spectra in simple hydrogen bonded systems	119
Multiwavelength spectrophotometric-thermodynamic studies of complexation reactions of newly synthesized triazenes with Hg2+, Pb2+, Zn2+, and Cd2+ in MeOH, EtOH, DMF, and DMSO	119
Entropy-driven conformational transition of flexible Z-DNA to a novel non-B helix by double-methylated guanosine	117
Difference in aqueous solution structure at 293.2 and 473.2 K between ethanol and ethylene glycol via molecular dynamics	115
SAFT-γ force field for the simulation of molecular fluids 9: Coarse-grained	115
Coordination reaction triggered xanthan gum and Fe(III) self-assembly and adsorption on hematite surface for quartz-hematite flotation separation	115
Comparative study on encapsulation of four different flavonoids into pea protein isolate nanoparticles: The impact of glycosylation	114
Co-loading of doxorubicin and anti-cancer peptide LL-37 on covalently functionalized carbon nanotubes; a molecular dynamics simulation study	114
Activation induced fluidization of a confined viscous liquid	107
On the hydrolysis of iron ions: DFT-based molecular dynamics perspective	106
Study of the effect of high-temperature activation of quartz on the adsorption of gold cyanide	104
Synthesis and mesomorphism of 3,4-dialkoxyphenylpyridine complexes of silver(I)	103
Molecular dynamic investigation on the thermophysical properties of binary molten carbonate mixtures	103
Editorial Board	100
Encapsulation of the quercetin with interpolyelectrolyte complex based on pillar[5]arenes	99
Affinity and putative entrance mechanisms of alkyl sulfates into the β-CD cavity	98
Molecular insights into the compression response of nitrogen/tetrafluoromethane liquid mixture from ab initio molecular dynamics	98
Traction behavior and mechanism of molecular level with effects of molecular structure and sliding velocity in boundary lubrication regime: A molecular dynamics study	97
Thermodynamic analysis and molecular dynamic simulation of the solubility of risperidone (form I) in the pure and binary solvents	97
Molecular insights into complex formation between scandenin and various types of β-cyclodextrin	97
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	96
Thermodynamic study of interaction effects in aqueous solutions of purine and pyrimidine nucleobases ionic liquids at 298.15 K	96
Volumetric, transport and acoustic properties of binary mixtures containing alkanol at 298.15–318.15 K	95
Non-covalent interactions in small thiophene clusters	94
Alkali halide force fields: Utilizing the melting temperature	94
Nanoscale observations of specific ion effects on the interactions between calcite and oil during ion tuned water flooding	94
Synthesis, solvatochromism and dipole moment in the ground and excited states of substitute phenol derivative fluorescent Schiff base compounds	93
Influence of the cation partner on levulinate ionic liquids properties	93
Unravelling the non-covalent interactions in certain n-propyl amine – Ether systems through acoustic and DFT studies at 303.15 K	91
Local stress within a granular molecular solvent matrix, a mechanism for individual ion hydration	91
Spectroscopic and computational study of molecular interaction of Pexidartinib with homologous mammalian transport proteins	90
Simulation study of solvent effect on competitive degradation of aggregation of homo- and hetero- amyloid-β dimers	90
Synthesis of carboxyl group functionalized polyhedral oligomeric silsesquioxane for fabricating ultrastable foams driven by high temperature and salinity	89
Monte Carlo simulation for the effect of chain stiffness on the free surface of polymer melts	88
Evaluation of the influence of surface structure on tribological properties of the solid–liquid interface: Analytical and experimental assessment	88
Evaluation of tamoxifen analogues as potential estrogen receptor alpha inhibitors for breast cancer treatment: A computational approach	88
Experimental and theoretical study of the Favipiravir association in water solvent	86
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	86
Improving the separation of guaiacol from n-hexane by adding choline chloride to glycol extracting agents	84
Biperiden Hydrochloride/β -Cyclodextrins supramolecular system and its cytotoxicity against lung adenocarcinoma cells	83
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	82
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	82
Novel and green hydroxyperylene imide based fluorescent polymer for calcium sulfate scale inhibition	82

Polymer-stabilized blue phase liquid crystal devices with ultra-low hysteresis and driving stability	81
Solubility of glimepiride in mono- and mixed-solvents at various temperatures: Proposing practical strategy for industrial applications	81
Cellulose nanocrystals preparation from microcrystalline cellulose using ionic liquid-DMSO binary mixture as a processing medium	80
Mechanisms of electric field-induced interactions between nanodroplets transmitted through a graphene monolayer	80
Effect of hydroxyl group on foam features of hydroxyl-based anionic ionic liquid surfactant: Experimental and theoretical studies	80
Investigating the potential of eutectic gel-formed composites in developing energy-efficient windows	80
Insight into molecular mechanism of human insulin encapsulation into the polyacrylic acid/deoxycholic acid-modified chitosan nanogel: An experimental and molecular dynamics investigation	80
Study for removing of silica nanoparticle in pure isopropyl alcohol with a cation exchange membrane	80
Study on a Two-dimensional nanomaterial reinforced wormlike micellar system	79
DNA mediated graphene oxide (GO)-nanosheets dispersed supramolecular GO-DNA hydrogel: An efficient soft-milieu for simplistic synthesis of Ag-NPs@GO-DNA and Gram + ve/-ve bacteria-based Ag-NPs@GO-DNA-	79
Investigation of polymer−surfactant complexes by both micellar solubilization and pre-column derivatization capillary electrophoresis	79
Effect of external electric fields on sulfur dioxide–water systems	78
Influence of salts on the surface behavior of α-chymotrypsinogen A in aqueous solutions at 298.15 K	78
Potential energy surfaces of antiparallel water-water interactions	78
Tribological behavior of two novel choline acetate-based deep eutectic solvents	78
A new magnetically separable zwitterionic copolymer hydrogel: Synthesis, characterization, and adsorption studies	78
Prediction of the adsorption properties of liquid at solid surfaces with molecular scale surface roughness via encoding-decoding convolutional neural networks	78
Molecular simulation and experimental validation for surface tension of new Low-GWP refrigerant mixtures R32/CF3I and R1123/CF3I	77
DFT-details & atomic-scale MC/MD simulations and experimental exploration of the Silybum extract bio-molecules effectiveness in mitigating aggressive effects of simulated corrosive concrete pore s	77
Biotin-functionalized silica nanoparticles loaded with Erythrosine B asselective photodynamic treatment for Glioblastoma Multiforme	76
Nano dance: Unraveling Ceria's self-assembly symphony	76
Comparative study on ethosomes and transferosomes for enhancing skin permeability of sinapic acid	76
H – Bond interactions in water multimers and water multimers – Pyridine complexes: Natural bond orbital and reduced density gradient isosurface analyses	76
In situ gelling microemulsion for topical ocular delivery of moxifloxacin and betamethasone	76
Binary dyes adsorption onto novel designed magnetic clay-biopolymer hydrogel involves characterization and adsorption performance: Kinetic, equilibrium, thermodynamic, and adsorption mechanism	76
Molecular basis of the activity of a photoswitchable histone deacetylase inhibitor	76
Structural transition of a nanodroplet under an alternating electric field: Understandings and predictions from a dynamic density functional theory	75
Alternative approach to calculate thermodynamic enthalpy change ΔH for non-ideal fluids via equations of state	75
Ionic liquid-mediated drug delivery: A review on progress and challenges focused on poly(ionic liquid) nanoplatforms	75
Interaction mechanism of soy protein isolate with aldehyde flavor compounds: Differences in carbon chain length and unsaturation	75
Investigating the Age-Dependent behavior of MoS2-hBN nanohybrid additives on the rheological properties of diesel engine oil	74
Chemically reactive MHD convective flow and heat transfer performance of ternary hybrid nanofluid past a curved stretching sheet	73
Supramolecular-based preparation of deep eutectic solvents synergized with carbon nanotubes for oxidative desulfurization of fuels	73
Extraction of flavonoids from Glycyrrhiza residues using deep eutectic solvents and its molecular mechanism	73
Thermophysical characterization on water and ethylene glycol/water-based MgO and ZnO nanofluids at elevated temperatures: An experimental investigation	72
The decisive role of filtration reducers’ surface charge in affecting drilling fluid filtration performance	72
Lanthanides-based security inks with reversible luminescent switching and self-healing properties for advanced anti-counterfeiting	72
Effects of variable thermal conductivity and curvature parameter on the peristalsis of hybrid nanofluid through a curved channel with curvature dependent channel walls	71
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	71
Inhibition effect of N-propargyl saccharin as corrosion inhibitor of C38 steel in 1 M HCl, experimental and theoretical study	71
Predicting viscosity of ionic liquids - water mixtures by bridging UNIFAC modeling with interpretable machine learning	71
Essential oil of Dysphania ambrosioides as a green corrosion inhibitor for mild steel in HCl solution	71
Self-assembly modulation in star block copolymers by amphiphilic diol: A scattering insight	70
Synthesis, exploring the structural, non covalent interaction effects, biological assessment, molecular docking and quantum chemical properties of functionalized new N-nitrosopiperidin-4-one: An exper	70
Filtration and structure of bentonite-β-cyclodextrin polymer microspheres suspensions: Effect of thermal aging time	70
Studying the effect of various types of chemical reactions on hydrodynamic properties of dispersion and peristaltic flow of couple-stress fluid: Comprehensive examination	69
1,3-Propanediol extraction from aqueous phase using hydrophobic eutectic solvents: Insights from experiments and molecular dynamics simulations	69
Unlocking the power of resonance Raman spectroscopy: The case of amides in aqueous solution	69
CuCo2O4/CeO2 S-scheme photocatalyst for promoted CO2 photoreduction to CH3OH	69
Fabrication and evaluation of the zoledronic acid loaded cationic starch-hydroxyapatite-ZrO2 nanocomposites for bone disease treatment	68
Application of aluminum nitride nanotubes as a promising nanocarriers for anticancer drug 5-aminosalicylic acid in drug delivery system	68
Editorial Board	68
Facile synthesis of copper oxide nanoparticles (CuONPs) using green method to promote photocatalytic and biocidal applications	68
Next-generation biodegradable ionic liquids based on DNA nucleotide and amino acids: MM/QM/MD design, synthesis, and characterization	68
The adsorption of p-hydroxybenzoic acid on graphene oxide under different pH and in-situ desorption in direct current electric field	68
Mechanisms of surfactant improving water injection huff and puff efficiency in tight reservoir	67
The concept of instantaneous supramolecules and its application to simulating the thermal conductivity of water-ethylene glycol mixtures	67
Encapsulation of 3-acetylcoumarin with acyclic cucurbit[n]urils: characterization/improved water solubility and thermal stability/retain biological activity	67
Aqueous dispersions of highly conductive carbon nanomaterials: Unusual aggregation mechanism	66
Amino acid-based ionic liquids as water-ethylene glycol additives towards superior lubricity and corrosion resistance	66
An environmentally friendly photocatalyst for the breakdown of RhB, MB, 2,4-DCP, and TCAA: Reusable Fe3O4/Ag doped g-C3N4	66
DFT study of difluoro & trifluoro bi-cyclohexane based dimer for application in electronic and optical devices	65
Synthesis and application of merrifield resin based supported ionic liquids as organocatalyst for the greener synthesis of bio-active triazoles	65
Mechanistic exploration of Perfluorooctanoic Acid-Induced Hen egg white lysozyme aggregation at physiological Conditions: Spectroscopic and thermodynamic insights	65
Density, critical point, and the structure of supercritical ethanol–water mixtures	65
The use of carboxylated graphene oxides and related materials for the adsorption of metals and dyes: A review	65
Enhancing electrolyte performance: A DFT study of ethanol-enhanced 1-butyl-3-methylimidazolium tetrafluoroborate complex systems adsorption on graphene surface	65
Cellulose nanoproducts isolated from lignocellulosic materials using DES-like mixtures – A minireview: State-of-the-art 2023	64
Green synthesis and histo-toxicological study of 2,3-dihydroquinazolin-4(1H)-ones catalysed by novel cellulose supported Bronsted acidic ionic liquid	64
Thermodynamics of the L-tryptophan interaction with glycerol or urea in water at ambient conditions	64
Promoting dissolution behaviors of low-carbon alcohol polyoxyethylene polyoxypropylene ether in CO2 by molecular structure optimization and adding cosolvent	64
Surface-modified silica nanoparticles for enhanced oil recovery in sandstone cores	64
Scale inhibition mechanism of itaconic acid-sodium methacrylate sulfonate on calcite: Quantum chemical calculation and molecular dynamics simulation	64
Molecular interactional study of SDS and CTAB in aqueous medium of anti-HIV drugs (Emtricitabine and Lamivudine) at different temperatures: A physicochemical investigation	63
Double-Brønsted acidic deep eutectic solvents and their applications as solvents and catalysts in chemical transformations	63
Exploring the molecular basis of tucatinib interaction with human serum albumin: A spectroscopic and computational analysis	63
Acylhydrazone-functionalized triphenylamine V-shaped liquid crystals: Synthesis, columnar self-assembly, gel property and application for the detection of Cu2+	63
One-pot synthesized multifunctional carbon nitride dots for fluorescent sensing, bioimaging, and selective cytotoxic effect on cancer cells	63
Thermodynamic characterization of lysozyme-NAG3 binding in salt-rich mimetic extraterrestrial environments: Implications for protein function	62
Synthesis and performance of piperidinium-based ionic liquids as catalyst for biomass conversion into 3-acetamido-5-acetylfuran	62

Photophysics of a cyanine dye in the protein-surfactant aggregates	62
The effect of alkyl chain on the corrosion inhibition of benzyldimethylammonium chloride in acidic environments	61
Comparative scrutinize of BSA and HEWL in the vicinity of metallo-catanionic aggregates derived from single chain metallosurfactant and anionic surfactant	61
Hydrophobic solvation and liquid water: A theoretical investigation using thermodynamic perturbation and integral equations theory	61
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	61
Inhibition of human epidermal growth factor receptor-2 protein by some alkaloid inhibitors	61
Induced re-entrant SmA phase in binary mixtures of lactic acid derivatives	61
Enhancing solubility of organic crystalline ingredients in aqueous phase through preferential spatial association with polyols	61
Griseofulvin in aqueous solutions of deep eutectic solvents based urea and polyethylene glycol: Solubility and density measurements	61
Editorial Board	60
Insight into intermolecular interactions in ethyl acetate + alkyl acrylate binary systems at different temperatures by means of volumetric, ultrasonic, viscometric and optical properties: Experimental	60
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	60
Hybrid nanofluids based on WSe2-WO3 and a siloxane-based fluid with application in concentrated solar power	60
Columnar mesomorphism in molecular alloys based on Halogen-Bridged PtII/PtIV mixed valence complexes. The key role of the PtII/PtIV ratio	60
Optimizing the efficient removal of ibuprofen from water environment by magnetic carbon aerogel: kinetics, isotherms, and thermodynamic studies	60
The diffusion characteristics of POSS under electric field and non-uniform temperature field in natural ester insulating oil	59
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	59
Calculation of the formation enthalpies of charge-transfer complexes with iodine from the binding constants at 298.15 K	59
Surface-functionalized nanoparticles for targeted drug delivery across the blood-brain barrier: advances and challenges in neurodegenerative disease therapy	59
Growing nanoparticles to assemble a modern three-dimensional nanoarchitecture of Pt-Ru aerogel for advanced electrocatalysis	59
EGylated deep eutectic solvent influenced micellization behaviour of [C6mim][Br] ionic liquid in aqueous solutions	59
Comprehensive thermodynamic modeling framework for the estimation of physico-chemical properties of deep eutectic solvent-heavy crude oil system	59
A comparative study for molecular insight on riparins (I–III) by quantum chemical, spectroscopic, and molecular docking methods	58
Photophysical study on synthesized triazolium ionic liquids and their stabilizing effect on native state of serum albumin	58
Molecular simulation on structural and molecular properties of polymer-blend nanoparticles	58
The hydration effect on hydrogen bond strength in the second coordination sphere of ethylenediamine and glycine metal complexes	58
Molecular dynamics study on bubble nucleation characteristics on rectangular Nano-Grooved surfaces	58
Design, antibacterial activity, computational analysis and molecular modeling study of a novel diimine-dioxime ligand and its Cu(II) complex	58
Interfacial behavior and emulsion stability of lipid delivery system regulated by two-dimensional facial amphiphiles bile salts	57
Carbon dioxide interaction with a series of ionic liquids consisting of fluorophenyltrifluoroborate anions studied by in situ ATR-FTIR spectroscopy	57
Modeling viscosity of SiO2-Al2O3-CaO based slags using Arrhenius and VFT models as well as the CALPHAD method	57
Nutraceutical formulated oil-in-water emulsion: Synthesis, characterization and biological applications	57
Utilizing different machine learning methods to accurately predict density, temperature, velocity, and thermal conductivity of hydrophilic, hydrophobic, and compound materials	56
Pluronics® based Penta block copolymer micelles as a precursor of smart aggregates for various applications: A review	56
Mixtures of cationic guar gum and anionic surfactants as stabilizers of zirconia suspensions	56
A cytostatic drug from the class of triazine derivatives: Its properties in aqueous solutions, cytotoxicity, and therapeutic activity	56
Implementation of AdaBoost and genetic algorithm machine learning models in prediction of adsorption capacity of nanocomposite materials	56
Highly efficient removal of endocrine disrupting pesticides by metal ferrites loaded Guar gum based green nanomaterials	55
A molecular dynamic insight into CO2 diffusion of type III porous liquids	55
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	55
Poly(tannic acid)-functionalized onion-like carbon nanoparticles derived from candle soot serving as potent lubricant additives	55
Comparative study on the physicochemical properties of N-SO3H functionalized ammonium and imidazolium ionic liquids	55
Hydrophobic eutectic solvents for sustainable recovery of carotenoids from mango peel: Extraction optimization and insights into molecular interactions at play	55
The extraction mechanism research for the separation of indole through the formation of deep eutectic solvents with quaternary ammonium salts	55
Gelation at oil–water interface by using dimethylcyclohexylamine/fatty acid-based surface-active ionic liquids	55
Experimental and theoretical study of 2-mercaptopyridine as an effective eco-friendly inhibitor for copper in aqueous NaCl	55
Synthesis of Adenosine 5-monophosphate monohydrate functionalized mesoporous Ag/CuO/MCM-41 nanostructures for enormous mineralization of insistent organic contaminants and photoinhibition of bacteria	55
A CO2-responsive Janus SiO2 nanofluid: Integration of enhanced oil recovery and demulsification	54
Complex formation of Zinc(II) ion with acetonitrile in ionic liquid [C2mim][TFSA] studied by 15N NMR spectroscopy and DFT calculation	54
Improved performance of CNT-Pd modified Cu2O supported on Nickel foam for hydrogen evolution reaction in basic media	54
Effect of mixed surfactants on foam stabilization: A molecular dynamics simulation	54
Linear hydrophobic congeneric groups of bile acid anion derivatives based on the self-association (micellization) process and the phenomenon of enthalpy–entropy compensation	54
Synthesis investigation and exploring of new tetraglycidyl bisurea bisphenyl S polyepoxide as an excellent corrosion inhibitory resin for mild steel in 1M HCl environment: Comprehensive approaches	54
Chromo-fluorogenic detection of Sarin, Tabun, and mustard gas mimics triggering the ring-opening reaction in a spirolactam-based probe	54
Aldose reductase inhibition properties of novel thiazolidin-2,4-diones: In vitro and in silico approach for the treatment of diabetes-related complications	54
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	54
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	53
Efficient and selective extraction of gold from acidic leaching solutions using novel guanidinium ionic liquid	53
Atomistic insights and tribological verification of partitioned functionalized graphene oxide dispersion properties	53
Coalescence behavior of fully submerged CO2 nanobubbles: A molecular dynamics based parametric study	53
Cu-trimesic acid-based metal organic frameworks for improved ß-galactosidase immobilization: Enhanced stability, reusability and lactose hydrolysis	53
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	53
Polarizabilities and electric field-induced forces in periodic two-component linear dielectric sphere chains	53
Corrosion inhibition of mild steel in 1 M HCl using 4-chlorothiobenzamide: Molecular and computational insights	53
Machine learning analysis for the rheological mechanism of polysaccharide colloids	53
Rheology, viscoelasticity and microstructural properties of OAPB-SDS mixtures at different temperature and pH conditions	53
Study on adsorption behaviors of different cresols: First-principles calculation	52
Optimizing parameters to improve PDMS surface wettability and the thermal conductivity analysis	52
A critical review of main enhanced oil recovery mechanisms by considering recent applications of green and novel nanocomposites	52
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	52
Analysing the molecular interactions of ternary (lactose + water + tributylmethylammonium chloride) solutions at different temperatures via physicochemical methods	52
Experimental and molecular dynamics studies of the effect of electrolytes on the interaction and energetics of the mixture of triton X-100 + metformin hydrochloride	52
1D NOESY study of bicalutamide conformations in a supercritical CO2	52
Dynamic light scattering for the determination of linoleic acid critical micelle concentration. Effect of pH, ionic strength, and ethanol	52
Vapor-liquid equilibrium for dimethyl ether and three imidazolium ionic liquids as working pairs in absorption-refrigeration cycle	52
A novel self-degradable gel (SDG) as liquid temporary plugging agent for high-temperature reservoirs	52
Local field and deformation of droplets in emulsions	52
Coalescence of nanodroplets before critical miscibility: a case study of EtOH in 1,2 dichlorobenzene	52
Advanced machine learning-based modeling of interfacial tension in the crude oil-brine-diethyl ether system: Insights into the effects of temperature and salinity	52
Investigation of the phase behavior of an aqueous solution comprising anionic and cationic surfactant mixtures	52
Synthesis and characterization of new imidazolium based protic ionic liquids obtained by nitro- and cyano-functionalization	51
Electrochemical, thermodynamic, and physical properties of tetradecyltrihexylphosphonium ([P6,6, 6,14]+) and methyl-propyl piperidinium containing ionic liquids and their propylene carbonate solutions	51
Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts	51
Effects of hydrogen-bonding functional groups of ammonium based-ionic liquids with Tf2N anion on the upper critical solution temperature in aqueous solutions	51
Squaric acid driven supramolecular metallogels of Cd(II) and Zn(II): Sensitive inhibitors for multi-drug resistance ESKAPE pathogens	51
Immobilization of chalcone chemosensor into plasma-pretreated recycled polyester fibers toward multi-stimuli responsive textiles for detection of ammonia	51
Hydrogen bond-driven interactions between chitosan and biobased surfactants: A study of bulk behavior and surface adsorption	51
Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome	50
Investigate the dynamic compressive (cushioning) response of 3D GFRP composites when the STF matrix base material is modified PEG	50
Study on the mechanism of surfactant droplet wetting and coagulation of respiratory dust: The case of AEO-9	50
Thermophysical properties analysis of graphene-added phase change materials and evaluation of enhanced heat transfer effect in underwater thermal vehicles	50
Enhanced dispersion of graphene sheets in various liquid solvents supported by poly(ionic liquid) via non-covalent interaction	50
The interaction between the azo dye tartrazine and α-Chymotrypsin enzyme: Molecular dynamics simulation and multi-spectroscopic investigations	50
Research on dissolution of actarit in aqueous mixtures: Solubility determination and correlation, preferential solvation, solvent effect and thermodynamics	50
Quantitative analysis of cordycepin's solvent-dependent thermodynamics: decoding hydrogen-bonding interactions via COSMO-RS σ-profiling	50