Journal of Molecular Liquids

Article	Citations
Synergistic and antagonistic effects during solvent extraction of Gd(III) ion in ionic liquids	610
Effect of different salt ions with different concentrations on the stability of carbon dioxide-in-water foam fracturing fluids	399
Ionic complexes in liquid Li–K–Pb alloys	289
Molecular dynamic simulations on wetting transition of nanofluid on a single grooved structure	274
Filtration and structure of bentonite-β-cyclodextrin polymer microspheres suspensions: Effect of thermal aging time	255
Deconstruction of technical grade diglycerol isostearate enables the controlled preparation of hexosomes and liposomes	250
Improved performance of CNT-Pd modified Cu2O supported on Nickel foam for hydrogen evolution reaction in basic media	249
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)’”	225
Editorial Board	220
Editorial Board	218
Study for removing of silica nanoparticle in pure isopropyl alcohol with a cation exchange membrane	209
Activation induced fluidization of a confined viscous liquid	186
Editorial Board	182
Molecular insights into the compression response of nitrogen/tetrafluoromethane liquid mixture from ab initio molecular dynamics	166
Investigation of micellization and thermodynamic properties of cationic gemini surfactant (12-2-O-2-12) in the presence of organic solvents	149
Immobilization of chalcone chemosensor into plasma-pretreated recycled polyester fibers toward multi-stimuli responsive textiles for detection of ammonia	143
Alkali halide force fields: Utilizing the melting temperature	140
Rheology of high-temperature resistant fracturing fluids formed by VES, acids and oxidants for enhancing CO2 injection in deep coal seams	140
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.	140
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	139
Phase equilibria and interfacial properties of selected methane + n-alkane binary mixtures	136
Prediction of the adsorption properties of liquid at solid surfaces with molecular scale surface roughness via encoding-decoding convolutional neural networks	136
Preparation and characterization of oxidized graphene for actinides and rare earth elements removal in nitric acid solutions from nuclear wastes	136
Co-loading of doxorubicin and anti-cancer peptide LL-37 on covalently functionalized carbon nanotubes; a molecular dynamics simulation study	134
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)	131

Study on adsorption behaviors of different cresols: First-principles calculation	128
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)	128
COSMO-RS prediction, experimental investigation, and mechanism analysis: A new approach to separating the n-hexane - tert-butanol azeotropic system via liquid-liquid extraction with ionic liquids	128
Unlocking the power of resonance Raman spectroscopy: The case of amides in aqueous solution	128
Experimental and theoretical investigation of water sorption on lemon leaves: New perspectives with statistical physical modeling	127
Editorial Board	127
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	126
Self-assembly and phase transition of gold nanoclusters in natural deep eutectic solvent for visual detection of toxicants in water environment	123
Carbon dioxide interaction with a series of ionic liquids consisting of fluorophenyltrifluoroborate anions studied by in situ ATR-FTIR spectroscopy	122
Catalytic reduction of toxins with metal nanoparticles fabricated in microgels and sodium borohydride: A comprehensive review	121
On the path to aqueous organic redox flow batteries: Alizarin red S alkaline negolyte. Performance evaluation and photochemical studies	119
Perspective on the passivity of Ti6Al4V alloy in H2SO4 and NaOH solutions	118
Probing host guest inclusion complex and its applications by biophysical approach subsequently optimized by molecular docking	117
Utilizing different machine learning methods to accurately predict density, temperature, velocity, and thermal conductivity of hydrophilic, hydrophobic, and compound materials	116
Multiwavelength spectrophotometric-thermodynamic studies of complexation reactions of newly synthesized triazenes with Hg2+, Pb2+, Zn2+, and Cd2+ in MeOH, EtOH, DMF, and DMSO	115
Topological descriptors and Laplace spectra in simple hydrogen bonded systems	114
Molecular modeling and molecular dynamics investigations of water mediated diffusion of biogenic nanosilica into plant leaf’s epicuticular wax layer	113
Insight into molecular mechanism of human insulin encapsulation into the polyacrylic acid/deoxycholic acid-modified chitosan nanogel: An experimental and molecular dynamics investigation	113
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	111
1,3-Propanediol extraction from aqueous phase using hydrophobic eutectic solvents: Insights from experiments and molecular dynamics simulations	110
Double-Brønsted acidic deep eutectic solvents and their applications as solvents and catalysts in chemical transformations	110
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	110
A physical picture of liquid–liquid phase separation of proteins	110
Two shear driven flow regimes in microfluidic nematic devices: Tumbling and laminar	107
Molecular dynamics study on bubble nucleation characteristics on rectangular Nano-Grooved surfaces	106
Spontaneous spreading of nanodroplets on partially wetting surfaces with continuous grooves: Synergy of imbibition and capillary condensation	105
A cytostatic drug from the class of triazine derivatives: Its properties in aqueous solutions, cytotoxicity, and therapeutic activity	103
The adsorption of p-hydroxybenzoic acid on graphene oxide under different pH and in-situ desorption in direct current electric field	103
A systematic molecular investigation on Sodium Dodecyl Benzene Sulphonate (SDBS) as a Low Dosage Hydrate Inhibitor (LDHI) and the role of Benzene Ring in the structure	102
Physicochemical properties of ionic liquids with indole removal function	101
Molecular insights into complex formation between scandenin and various types of β-cyclodextrin	100
Structural modulation of heterometallic metal–organic framework via a facile metal-ion-assisted surface etching and structural transformation	100
Promoting dissolution behaviors of low-carbon alcohol polyoxyethylene polyoxypropylene ether in CO2 by molecular structure optimization and adding cosolvent	99
Rheology, viscoelasticity and microstructural properties of OAPB-SDS mixtures at different temperature and pH conditions	98
Study on a Two-dimensional nanomaterial reinforced wormlike micellar system	98
Simulation study of solvent effect on competitive degradation of aggregation of homo- and hetero- amyloid-β dimers	97
Spectroscopic and computational study of molecular interaction of Pexidartinib with homologous mammalian transport proteins	96
Potential energy surfaces of antiparallel water-water interactions	95
Acylhydrazone-functionalized triphenylamine V-shaped liquid crystals: Synthesis, columnar self-assembly, gel property and application for the detection of Cu2+	95
Evaluation of the influence of surface structure on tribological properties of the solid–liquid interface: Analytical and experimental assessment	95
Synthesis of carboxyl group functionalized polyhedral oligomeric silsesquioxane for fabricating ultrastable foams driven by high temperature and salinity	94
Photoinduced emissive naphthalenediimide radical anion in the confinement of cucurbituril nanocavity; in situ generation of gold nanoparticles	93
A 3D-RISM-KH study of liquid nitromethane, nitroethane, and nitrobenzene as solvents	93
Concentration-driven selective adsorption of Congo red in binary dyes solution using polyacrolein: Experiments, characterization and mechanism studies	92
Construction and modulation of dual responsive AIE supramolecular aggregates combined with quantum chemistry simulation	90
Modification of local and collective dynamics of water in perchlorate solution, induced by pressure and concentration	90
Efficient and selective extraction of gold from acidic leaching solutions using novel guanidinium ionic liquid	89
Investigating the potential of eutectic gel-formed composites in developing energy-efficient windows	89
Anions mediated electron-rich metalloporphyrin ionic framework as recyclable catalyst for conversion of urea into cyclic carbonates	88
Effects of hydrogen-bonding functional groups of ammonium based-ionic liquids with Tf2N anion on the upper critical solution temperature in aqueous solutions	88

Photophysical study on synthesized triazolium ionic liquids and their stabilizing effect on native state of serum albumin	87
Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome	87
DFT study of difluoro & trifluoro bi-cyclohexane based dimer for application in electronic and optical devices	87
Monte Carlo simulation for the effect of chain stiffness on the free surface of polymer melts	87
Encapsulation of the quercetin with interpolyelectrolyte complex based on pillar[5]arenes	87
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
Difference in aqueous solution structure at 293.2 and 473.2 K between ethanol and ethylene glycol via molecular dynamics	86
Biperiden Hydrochloride/β -Cyclodextrins supramolecular system and its cytotoxicity against lung adenocarcinoma cells	86
Evaluation of tamoxifen analogues as potential estrogen receptor alpha inhibitors for breast cancer treatment: A computational approach	86
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	85
Calculation of the formation enthalpies of charge-transfer complexes with iodine from the binding constants at 298.15 K	85
Synthesis and characterization of new imidazolium based protic ionic liquids obtained by nitro- and cyano-functionalization	84
Pristine and ferroelectric liquid crystal dispersed four ring bent core nematic: Impact of dispersion on electro-optic and dielectric properties	84
Investigating the Age-Dependent behavior of MoS2-hBN nanohybrid additives on the rheological properties of diesel engine oil	84
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	84
Entropy-driven conformational transition of flexible Z-DNA to a novel non-B helix by double-methylated guanosine	83
Water jumps over a nanogap between two disjoint carbon nanotubes assisted by thermal fluctuation	83
Investigation of polymer−surfactant complexes by both micellar solubilization and pre-column derivatization capillary electrophoresis	82
The decisive role of filtration reducers’ surface charge in affecting drilling fluid filtration performance	82
Synthesis and mesomorphism of 3,4-dialkoxyphenylpyridine complexes of silver(I)	81
Poly(tannic acid)-functionalized onion-like carbon nanoparticles derived from candle soot serving as potent lubricant additives	81
Study of the effect of high-temperature activation of quartz on the adsorption of gold cyanide	81
Molecular interactional study of SDS and CTAB in aqueous medium of anti-HIV drugs (Emtricitabine and Lamivudine) at different temperatures: A physicochemical investigation	80
Self-assembly modulation in star block copolymers by amphiphilic diol: A scattering insight	79
Traction behavior and mechanism of molecular level with effects of molecular structure and sliding velocity in boundary lubrication regime: A molecular dynamics study	79
The use of carboxylated graphene oxides and related materials for the adsorption of metals and dyes: A review	78
A new magnetically separable zwitterionic copolymer hydrogel: Synthesis, characterization, and adsorption studies	78
Unraveling the thermodynamics, enzyme activity and denaturation studies of Triprolidine hydrochloride binding with model transport protein	78
Mechanistic exploration of Perfluorooctanoic Acid-Induced Hen egg white lysozyme aggregation at physiological Conditions: Spectroscopic and thermodynamic insights	78
Solubilization of fullerene in polyoxyethylene tetradecyl ether type nonionic surfactants	77
Probing the impact of bismuth-titanate based nanocomposite on the dielectric and electro-optical features of a nematic liquid crystal material	77
Comprehensive thermodynamic modeling framework for the estimation of physico-chemical properties of deep eutectic solvent-heavy crude oil system	77
Mechanisms of surfactant improving water injection huff and puff efficiency in tight reservoir	77
Thermodynamic analysis and molecular dynamic simulation of the solubility of risperidone (form I) in the pure and binary solvents	77
Prediction of hypothetical solubility of drugs in phase separated miscible binary solvent mixtures using an interpolation technique	77
Thermodynamic study of interaction effects in aqueous solutions of purine and pyrimidine nucleobases ionic liquids at 298.15 K	77
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	77
The solubilization of naphthalene using tea saponin as a biosurfactant: Effect of temperature	76
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	76
Mixtures of cationic guar gum and anionic surfactants as stabilizers of zirconia suspensions	76
Influence of salts on the surface behavior of α-chymotrypsinogen A in aqueous solutions at 298.15 K	76
Quantum chemical exploration on the inhibition performance of indole and some of its derivatives against copper corrosion	76
Recent advances in essential oils-based metal nanoparticles: A review on recent developments and biopharmaceutical applications	75
Thermodynamics of the L-tryptophan interaction with glycerol or urea in water at ambient conditions	75
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	75
Keys to enhancing efficiency in nanoparticle-based foam EOR: Experimental insights into different types of surfactant-nanoparticle interactions	74
Adsorption behavior and corrosion inhibition performance of tetrazolium derivatives on electrolytic copper foil surface	74
Influence of the cation partner on levulinate ionic liquids properties	74
Artificial intelligent approach for flow stability in Eyring Powell hybrid nanofluids via porous shrinking sheets	74
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
Growing nanoparticles to assemble a modern three-dimensional nanoarchitecture of Pt-Ru aerogel for advanced electrocatalysis	73
The PEGylated and non-PEGylated interaction of the anticancer drug 5-fluorouracil with paramagnetic Fe3O4 nanoparticles as drug carrier	73
Facile synthesis of copper oxide nanoparticles (CuONPs) using green method to promote photocatalytic and biocidal applications	73
Squaric acid driven supramolecular metallogels of Cd(II) and Zn(II): Sensitive inhibitors for multi-drug resistance ESKAPE pathogens	73
Aqueous dispersions of highly conductive carbon nanomaterials: Unusual aggregation mechanism	72
Synthesis and performance of piperidinium-based ionic liquids as catalyst for biomass conversion into 3-acetamido-5-acetylfuran	72
Optimizing the efficient removal of ibuprofen from water environment by magnetic carbon aerogel: kinetics, isotherms, and thermodynamic studies	72
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	71
Hydrogen bond-driven interactions between chitosan and biobased surfactants: A study of bulk behavior and surface adsorption	71
An environmentally friendly photocatalyst for the breakdown of RhB, MB, 2,4-DCP, and TCAA: Reusable Fe3O4/Ag doped g-C3N4	71
Radiolytic degradation of β-lactam and tetracycline antibiotics in the presence of protein	70
Hydrophobic eutectic solvents for sustainable recovery of carotenoids from mango peel: Extraction optimization and insights into molecular interactions at play	70
Highly efficient removal of endocrine disrupting pesticides by metal ferrites loaded Guar gum based green nanomaterials	70
Enhancing solubility of organic crystalline ingredients in aqueous phase through preferential spatial association with polyols	70
Comparative scrutinize of BSA and HEWL in the vicinity of metallo-catanionic aggregates derived from single chain metallosurfactant and anionic surfactant	70
Interfacial behavior and emulsion stability of lipid delivery system regulated by two-dimensional facial amphiphiles bile salts	69
Thermophysical characterization on water and ethylene glycol/water-based MgO and ZnO nanofluids at elevated temperatures: An experimental investigation	69
Cellulose nanocrystals preparation from microcrystalline cellulose using ionic liquid-DMSO binary mixture as a processing medium	69
Molecular simulation study of methane hydrate decomposition in the presence of hydrophilic and hydrophobic solid surfaces	69
Polarizabilities and electric field-induced forces in periodic two-component linear dielectric sphere chains	69
Biotin-functionalized silica nanoparticles loaded with Erythrosine B asselective photodynamic treatment for Glioblastoma Multiforme	69
Atomistic insights and tribological verification of partitioned functionalized graphene oxide dispersion properties	69
Full relaxation dynamics recovery from ultrafast fluorescence experiments by means of the stochastic model: Does the solvent response dynamics depend on the fluorophore nature?	69
Local field and deformation of droplets in emulsions	68
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-	68
Solubilization and remediation of polycyclic aromatic hydrocarbons in groundwater by cationic surfactants coupled nanobubbles: Synergistic mechanism and application	68
Cellulose nanoproducts isolated from lignocellulosic materials using DES-like mixtures – A minireview: State-of-the-art 2023	68
Interaction mechanism of soy protein isolate with aldehyde flavor compounds: Differences in carbon chain length and unsaturation	68
Gelation at oil–water interface by using dimethylcyclohexylamine/fatty acid-based surface-active ionic liquids	67
Advances in the rheology of emulsion explosive	67

Development of poly-L-lysine multi-functionalized muco-penetrating self- emulsifying drug delivery system (SEDDS) for improved solubilization and targeted delivery of ciprofloxacin against intracellul	67
Molecular dynamics simulation of explosive boiling of the H2O-Cu nanofluid	66
Solubility of sildenafil citrate in 1-propanol + water mixtures at different temperatures	66
Photophysics of a cyanine dye in the protein-surfactant aggregates	66
Visible light induced efficient photocatalytic degradation of azo dye into nontoxic byproducts by CdSe quantum dot conjugated nano graphene oxide	66
Solubility of glimepiride in mono- and mixed-solvents at various temperatures: Proposing practical strategy for industrial applications	65
Griseofulvin in aqueous solutions of deep eutectic solvents based urea and polyethylene glycol: Solubility and density measurements	65
Molecular aggregation effect on the antagonistic adsorption of pharmaceuticals from aqueous solution using bone char: DFT calculations and multicomponent experimental studies	65
Tribological behavior of two novel choline acetate-based deep eutectic solvents	65
Evaluation of anti-corrosion performance of poly(maleic acid-co-N‐[3‐(dimethylamino)propyl]‐methacrylamide) as novel copolymer inhibitor for carbon steel in neutral medium	65
Complex formation of Zinc(II) ion with acetonitrile in ionic liquid [C2mim][TFSA] studied by 15N NMR spectroscopy and DFT calculation	64
Induced re-entrant SmA phase in binary mixtures of lactic acid derivatives	64
Solubility measurement, molecular simulation and thermodynamic analysis of guanidine hydrochloride in eleven neat solvents	64
State-of-the-art ionic liquid & ionanofluids incorporated with advanced nanomaterials for solar energy applications	64
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	64
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	64
Inhibition of human epidermal growth factor receptor-2 protein by some alkaloid inhibitors	64
Hydrophobic solvation and liquid water: A theoretical investigation using thermodynamic perturbation and integral equations theory	64
High efficiency dye adsorption and oil–water separation of aminated-SiO2 decorated monolayer Ti3C2Tx MXene	64
Nanoscale observations of specific ion effects on the interactions between calcite and oil during ion tuned water flooding	64
Experimental study on binary (solid + liquid) equilibrium and solubility analysis of N-fluorobenzenesulfonimide in 16 organic solvents at temperatures ranging from 273.35 to 322.85 K under 101.3 kPa	64
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	63
Pluronics® based Penta block copolymer micelles as a precursor of smart aggregates for various applications: A review	63
On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study	63
A CO2-responsive Janus SiO2 nanofluid: Integration of enhanced oil recovery and demulsification	63
Affinity and putative entrance mechanisms of alkyl sulfates into the β-CD cavity	63
The diffusion characteristics of POSS under electric field and non-uniform temperature field in natural ester insulating oil	63
Coalescence behavior of fully submerged CO2 nanobubbles: A molecular dynamics based parametric study	63
Dynamic light scattering for the determination of linoleic acid critical micelle concentration. Effect of pH, ionic strength, and ethanol	62
Neutral polymer-pseudo polyelectrolyte transition of a post irradiated polymer dissolved in water	62
Predicting viscosity of ionic liquids - water mixtures by bridging UNIFAC modeling with interpretable machine learning	62
Evaluation and correlation of self-healing functionalized silane-based hybrid nanocomposite materials as corrosion inhibitor	62
Unravelling the non-covalent interactions in certain n-propyl amine – Ether systems through acoustic and DFT studies at 303.15 K	62
Experimental and theoretical study of the Favipiravir association in water solvent	62
Density functional theory study on biodiesel production from yeast lipid catalyzed by imidazolium ionic liquid	62
Mechanisms of electric field-induced interactions between nanodroplets transmitted through a graphene monolayer	61
Volumetric, transport and acoustic properties of binary mixtures containing alkanol at 298.15–318.15 K	61
Riboflavin as a non-quinone redox mediator for enhanced Cr(VI) removal by Shewanella putrefaciens	61
Supramolecular-based preparation of deep eutectic solvents synergized with carbon nanotubes for oxidative desulfurization of fuels	61
Retention characteristics, saturated vapor pressure and vaporization enthalpy of mesityl oxide ethers of linear alcohols C1–C5	61
The effect of alkyl chain on the corrosion inhibition of benzyldimethylammonium chloride in acidic environments	61
Enhancing electrolyte performance: A DFT study of ethanol-enhanced 1-butyl-3-methylimidazolium tetrafluoroborate complex systems adsorption on graphene surface	61
Thermophysical properties of binary mixtures of diethyl ether as oxygenate with cyclohexane and aromatic hydrocarbons	61
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	61
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	61
Molecular dynamic investigation on the thermophysical properties of binary molten carbonate mixtures	60
A DFT-based study on CFBP: Structural, solvent spectroscopic analysis and ligand protein interaction with the antipsychotic characteristics	60
Modeling viscosity of SiO2-Al2O3-CaO based slags using Arrhenius and VFT models as well as the CALPHAD method	60
Non-covalent interactions in small thiophene clusters	60
Inhibition effect of N-propargyl saccharin as corrosion inhibitor of C38 steel in 1 M HCl, experimental and theoretical study	60
Temperature-dependent thermodynamic and physicochemical studies of glycols in aqueous biotin solutions	60
A comparative study for molecular insight on riparins (I–III) by quantum chemical, spectroscopic, and molecular docking methods	60
Verification of corrosion inhibition of Mild steel by some 4-Aminoantipyrine-based Schiff bases – Impact of adsorbate substituent and cross-conjugation	60
Influence of sodium bis(2-ethylhexyl) sulfosuccinate on the self-assembly of AOT based surface-active ionic liquids having different pharmacologically active cations in the aqueous medium	60
SAFT-γ force field for the simulation of molecular fluids 9: Coarse-grained	59
Comparative study on ethosomes and transferosomes for enhancing skin permeability of sinapic acid	59
Thermophysical properties analysis of graphene-added phase change materials and evaluation of enhanced heat transfer effect in underwater thermal vehicles	59
Evaluation of interaction between citrus flavonoid, naringenin, and pepsin using spectroscopic analysis and docking simulation	59
Application of aluminum nitride nanotubes as a promising nanocarriers for anticancer drug 5-aminosalicylic acid in drug delivery system	59
Extraction of flavonoids from Butterfly blue pea (Clitoria ternatea) flower as carbon steel corrosion inhibitor in CO2 environment: Experimental and theoretical approaches	58
Herbal approach for treatment of cancer using curcumin as an anticancer agent: A review on novel drug delivery systems	58
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	57
Comparative study on encapsulation of four different flavonoids into pea protein isolate nanoparticles: The impact of glycosylation	57
Polymer-stabilized blue phase liquid crystal devices with ultra-low hysteresis and driving stability	57
Effect of mixed surfactants on foam stabilization: A molecular dynamics simulation	57
Molecular dynamics study on water confinement in deep eutectic solvents	57
Enhanced dispersion of graphene sheets in various liquid solvents supported by poly(ionic liquid) via non-covalent interaction	57
Molecular dynamics study of electrocoalescence of pure water and salty nanodroplets	57
Corrosion inhibition of mild steel in 1 M HCl using 4-chlorothiobenzamide: Molecular and computational insights	57
The interaction between the azo dye tartrazine and α-Chymotrypsin enzyme: Molecular dynamics simulation and multi-spectroscopic investigations	57
Effect of external electric fields on sulfur dioxide–water systems	57
Cu-trimesic acid-based metal organic frameworks for improved ß-galactosidase immobilization: Enhanced stability, reusability and lactose hydrolysis	57
Chromo-fluorogenic detection of Sarin, Tabun, and mustard gas mimics triggering the ring-opening reaction in a spirolactam-based probe	57
Molecular simulation on structural and molecular properties of polymer-blend nanoparticles	57
Investigate the dynamic compressive (cushioning) response of 3D GFRP composites when the STF matrix base material is modified PEG	56
Facile preparation of a remarkable MOF adsorbent for Au(III) selective separation from wastewater: Adsorption, regeneration and mechanism	56
Extraction of flavonoids from Glycyrrhiza residues using deep eutectic solvents and its molecular mechanism	56
Vapor-liquid equilibrium for dimethyl ether and three imidazolium ionic liquids as working pairs in absorption-refrigeration cycle	56
Linear hydrophobic congeneric groups of bile acid anion derivatives based on the self-association (micellization) process and the phenomenon of enthalpy–entropy compensation	56
Electrochemical, thermodynamic, and physical properties of tetradecyltrihexylphosphonium ([P6,6, 6,14]+) and methyl-propyl piperidinium containing ionic liquids and their propylene carbonate solutions	56
Conformational study, FT-IR, FT-Raman, solvent effect on UV–Vis, charge transfer and protein–ligand interactions of Methyl-2-pyrazinecarboxylate	56
Preparation, physicochemical analyses, and comparative evaluation studies of deep eutectic solvents (DES) from non-conventional precursor materials applied as catalytic curing agents for epoxy resin	56
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	56
Layer structure of quaternary-ammonium-salt-type amphiphilic gemini and trimeric ionic liquids	56
Silver nanoparticles modified titanium carbide MXene composite for RSM-CCD optimised chloride removal from water	55
Structural transition of a nanodroplet under an alternating electric field: Understandings and predictions from a dynamic density functional theory	55
Ionic liquid-mediated drug delivery: A review on progress and challenges focused on poly(ionic liquid) nanoplatforms	55
Investigation the binding and partition properties of azithromycin drug using drug-surfactant mixed micelles in the presence of trisodium citrate electrolyte	55
Improving the separation of guaiacol from n-hexane by adding choline chloride to glycol extracting agents	55
Synthesis and application of merrifield resin based supported ionic liquids as organocatalyst for the greener synthesis of bio-active triazoles	55
Exploring the molecular basis of tucatinib interaction with human serum albumin: A spectroscopic and computational analysis	55
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	55
A molecular dynamic insight into CO2 diffusion of type III porous liquids	55
Anti-inflammatory drug diclofenac removal by a synthesized MgAl layered double hydroxide	55
Binary dyes adsorption onto novel designed magnetic clay-biopolymer hydrogel involves characterization and adsorption performance: Kinetic, equilibrium, thermodynamic, and adsorption mechanism	55