Journal of Molecular Liquids

Article	Citations
Molecular modeling and molecular dynamics investigations of water mediated diffusion of biogenic nanosilica into plant leaf’s epicuticular wax layer	448
Editorial Board	443
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)	382
Editorial Board	344
Fabrication and evaluation of the zoledronic acid loaded cationic starch-hydroxyapatite-ZrO2 nanocomposites for bone disease treatment	342
Encapsulation of 3-acetylcoumarin with acyclic cucurbit[n]urils: characterization/improved water solubility and thermal stability/retain biological activity	341
Synthesis of Adenosine 5-monophosphate monohydrate functionalized mesoporous Ag/CuO/MCM-41 nanostructures for enormous mineralization of insistent organic contaminants and photoinhibition of bacteria	333
Research on dissolution of actarit in aqueous mixtures: Solubility determination and correlation, preferential solvation, solvent effect and thermodynamics	288
Green synthesis and histo-toxicological study of 2,3-dihydroquinazolin-4(1H)-ones catalysed by novel cellulose supported Bronsted acidic ionic liquid	234
Coalescence of nanodroplets before critical miscibility: a case study of EtOH in 1,2 dichlorobenzene	234
Alternative approach to calculate thermodynamic enthalpy change ΔH for non-ideal fluids via equations of state	186
Experimental and theoretical study of the Favipiravir association in water solvent	181
Rheology, viscoelasticity and microstructural properties of OAPB-SDS mixtures at different temperature and pH conditions	178
Study on adsorption behaviors of different cresols: First-principles calculation	173
Conformational analysis of etoricoxib: integrating NOESY spectroscopy and quantum-chemical calculations for polymorph screening	167
Modeling viscosity of SiO2-Al2O3-CaO based slags using Arrhenius and VFT models as well as the CALPHAD method	156
Probing host guest inclusion complex and its applications by biophysical approach subsequently optimized by molecular docking	154
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	149
Synthesis and performance of piperidinium-based ionic liquids as catalyst for biomass conversion into 3-acetamido-5-acetylfuran	145
Carbon dioxide interaction with a series of ionic liquids consisting of fluorophenyltrifluoroborate anions studied by in situ ATR-FTIR spectroscopy	144
Study of the effect of high-temperature activation of quartz on the adsorption of gold cyanide	141
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	140
One-pot synthesized multifunctional carbon nitride dots for fluorescent sensing, bioimaging, and selective cytotoxic effect on cancer cells	137
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	129
Construction and modulation of dual responsive AIE supramolecular aggregates combined with quantum chemistry simulation	129

Squaric acid driven supramolecular metallogels of Cd(II) and Zn(II): Sensitive inhibitors for multi-drug resistance ESKAPE pathogens	125
High efficiency dye adsorption and oil–water separation of aminated-SiO2 decorated monolayer Ti3C2Tx MXene	119
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	115
Experimental and theoretical investigation of water sorption on lemon leaves: New perspectives with statistical physical modeling	114
Monte Carlo simulation for the effect of chain stiffness on the free surface of polymer melts	114
Next-generation biodegradable ionic liquids based on DNA nucleotide and amino acids: MM/QM/MD design, synthesis, and characterization	112
Evaluation of the influence of surface structure on tribological properties of the solid–liquid interface: Analytical and experimental assessment	110
Molecular dynamic investigation on the thermophysical properties of binary molten carbonate mixtures	109
Integrating DFT-guided design and green natural deep eutectic solvent chemistry for efficient keratin dissolution and recovery from wool waste	106
1D NOESY study of bicalutamide conformations in a supercritical CO2	105
Gelation at oil–water interface by using dimethylcyclohexylamine/fatty acid-based surface-active ionic liquids	103
Effects of hydrogen-bonding functional groups of ammonium based-ionic liquids with Tf2N anion on the upper critical solution temperature in aqueous solutions	101
Neutral polymer-pseudo polyelectrolyte transition of a post irradiated polymer dissolved in water	99
Hansen solubility parameters and green nanocarrier based removal of trimethoprim from contaminated aqueous solution	98
Editorial Board	97
Editorial Board	97
Topological descriptors and Laplace spectra in simple hydrogen bonded systems	97
Multiwavelength spectrophotometric-thermodynamic studies of complexation reactions of newly synthesized triazenes with Hg2+, Pb2+, Zn2+, and Cd2+ in MeOH, EtOH, DMF, and DMSO	96
Entropy-driven conformational transition of flexible Z-DNA to a novel non-B helix by double-methylated guanosine	96
Activation induced fluidization of a confined viscous liquid	95
Editorial Board	94
Simulation study of solvent effect on competitive degradation of aggregation of homo- and hetero- amyloid-β dimers	93
Synthesis of carboxyl group functionalized polyhedral oligomeric silsesquioxane for fabricating ultrastable foams driven by high temperature and salinity	92
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	91
Study for removing of silica nanoparticle in pure isopropyl alcohol with a cation exchange membrane	90
Molecular interactional study of SDS and CTAB in aqueous medium of anti-HIV drugs (Emtricitabine and Lamivudine) at different temperatures: A physicochemical investigation	89
Thermodynamic characterization of lysozyme-NAG3 binding in salt-rich mimetic extraterrestrial environments: Implications for protein function	89
Mechanisms of electric field-induced interactions between nanodroplets transmitted through a graphene monolayer	89
Comparative study on the physicochemical properties of N-SO3H functionalized ammonium and imidazolium ionic liquids	89
Synthesis and mesomorphism of 3,4-dialkoxyphenylpyridine complexes of silver(I)	88
Inhibition of human epidermal growth factor receptor-2 protein by some alkaloid inhibitors	88
Polymer-stabilized blue phase liquid crystal devices with ultra-low hysteresis and driving stability	88
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	88
Editorial Board	87
Interaction of linezolid-bound magnetic iron oxide nanoparticle to β-cyclodextrin/DNA	86
Design, antibacterial activity, computational analysis and molecular modeling study of a novel diimine-dioxime ligand and its Cu(II) complex	86
1,3-Propanediol extraction from aqueous phase using hydrophobic eutectic solvents: Insights from experiments and molecular dynamics simulations	86
Experimental and theoretical study of 2-mercaptopyridine as an effective eco-friendly inhibitor for copper in aqueous NaCl	85
EGylated deep eutectic solvent influenced micellization behaviour of [C6mim][Br] ionic liquid in aqueous solutions	84
The diffusion characteristics of POSS under electric field and non-uniform temperature field in natural ester insulating oil	84
Investigation of micellization and thermodynamic properties of cationic gemini surfactant (12-2-O-2-12) in the presence of organic solvents	83
Silver nanoparticles modified titanium carbide MXene composite for RSM-CCD optimised chloride removal from water	83
Co-loading of doxorubicin and anti-cancer peptide LL-37 on covalently functionalized carbon nanotubes; a molecular dynamics simulation study	83
Supramolecular-based preparation of deep eutectic solvents synergized with carbon nanotubes for oxidative desulfurization of fuels	82
Retention characteristics, saturated vapor pressure and vaporization enthalpy of mesityl oxide ethers of linear alcohols C1–C5	82
Comprehensive thermodynamic modeling framework for the estimation of physico-chemical properties of deep eutectic solvent-heavy crude oil system	81
Study on OH radical oxidation of 4H-SiC in plasma based on ReaxFF molecular dynamics simulation	81
Dynamic light scattering for the determination of linoleic acid critical micelle concentration. Effect of pH, ionic strength, and ethanol	80
The role of NH	80
Growing nanoparticles to assemble a modern three-dimensional nanoarchitecture of Pt-Ru aerogel for advanced electrocatalysis	80

Interfacial behavior and emulsion stability of lipid delivery system regulated by two-dimensional facial amphiphiles bile salts	79
Tribological behavior of two novel choline acetate-based deep eutectic solvents	78
Acylhydrazone-functionalized triphenylamine V-shaped liquid crystals: Synthesis, columnar self-assembly, gel property and application for the detection of Cu2+	77
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	76
Optimizing the efficient removal of ibuprofen from water environment by magnetic carbon aerogel: kinetics, isotherms, and thermodynamic studies	74
Amino acid-based ionic liquids as water-ethylene glycol additives towards superior lubricity and corrosion resistance	74
Mechanistic exploration of Perfluorooctanoic Acid-Induced Hen egg white lysozyme aggregation at physiological Conditions: Spectroscopic and thermodynamic insights	74
Ionic complexes in liquid Li–K–Pb alloys	74
Molecular dynamic simulations on wetting transition of nanofluid on a single grooved structure	73
A physical picture of liquid–liquid phase separation of proteins	73
Quantitative analysis of cordycepin's solvent-dependent thermodynamics: decoding hydrogen-bonding interactions via COSMO-RS σ-profiling	72
Calculation of the formation enthalpies of charge-transfer complexes with iodine from the binding constants at 298.15 K	72
Determination of density, dynamic viscosity, surface tension, and refractive index of thymol-based hydrophobic eutectic solvents with analysis of their correlated properties	71
Investigating the potential of eutectic gel-formed composites in developing energy-efficient windows	71
Rheology of high-temperature resistant fracturing fluids formed by VES, acids and oxidants for enhancing CO2 injection in deep coal seams	71
Molecular-level insights into naproxen sodium adsorption on activated carbons using advanced multilayer modeling	70
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	70
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)	69
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	69
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.	69
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	68
The adsorption of p-hydroxybenzoic acid on graphene oxide under different pH and in-situ desorption in direct current electric field	68
Anions mediated electron-rich metalloporphyrin ionic framework as recyclable catalyst for conversion of urea into cyclic carbonates	68
The PEGylated and non-PEGylated interaction of the anticancer drug 5-fluorouracil with paramagnetic Fe3O4 nanoparticles as drug carrier	68
A CO2-responsive Janus SiO2 nanofluid: Integration of enhanced oil recovery and demulsification	67
The concept of instantaneous supramolecules and its application to simulating the thermal conductivity of water-ethylene glycol mixtures	67
Effect of different salt ions with different concentrations on the stability of carbon dioxide-in-water foam fracturing fluids	67
Self-assembly and phase transition of gold nanoclusters in natural deep eutectic solvent for visual detection of toxicants in water environment	66
Highly efficient removal of endocrine disrupting pesticides by metal ferrites loaded Guar gum based green nanomaterials	66
Solubility of glimepiride in mono- and mixed-solvents at various temperatures: Proposing practical strategy for industrial applications	66
Synthesis of nanomesoporous magnetic metal–organic framework of Fe3O4@SiO2-SBA-3-MIL-100(Fe)/SO3H for citalopram adsorption from aqueous phase: experimental and DFT studies	65
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	65
Effect of hydroxyl group on foam features of hydroxyl-based anionic ionic liquid surfactant: Experimental and theoretical studies	64
Predicting viscosity of ionic liquids - water mixtures by bridging UNIFAC modeling with interpretable machine learning	64
Encapsulation of the quercetin with interpolyelectrolyte complex based on pillar[5]arenes	64
Complex formation of Zinc(II) ion with acetonitrile in ionic liquid [C2mim][TFSA] studied by 15N NMR spectroscopy and DFT calculation	64
An environmentally friendly photocatalyst for the breakdown of RhB, MB, 2,4-DCP, and TCAA: Reusable Fe3O4/Ag doped g-C3N4	64
Hybrid nanofluids based on WSe2-WO3 and a siloxane-based fluid with application in concentrated solar power	64
Adsorption behavior and corrosion inhibition performance of tetrazolium derivatives on electrolytic copper foil surface	64
Self-assembly modulation in star block copolymers by amphiphilic diol: A scattering insight	64
Advances in ionic liquids for Parkinson's disease: from detection to in-vitro analysis	64
Synthesis and application of merrifield resin based supported ionic liquids as organocatalyst for the greener synthesis of bio-active triazoles	64
Molecular dynamics study on bubble nucleation characteristics on rectangular Nano-Grooved surfaces	64
Evaluation and correlation of self-healing functionalized silane-based hybrid nanocomposite materials as corrosion inhibitor	63
H – Bond interactions in water multimers and water multimers – Pyridine complexes: Natural bond orbital and reduced density gradient isosurface analyses	63
Insight into selective depression of sodium thioglycallate on arsenopyrite flotation: Adsorption mechanism and constructure	62
A comparative study for molecular insight on riparins (I–III) by quantum chemical, spectroscopic, and molecular docking methods	62
A DFT-based study on CFBP: Structural, solvent spectroscopic analysis and ligand protein interaction with the antipsychotic characteristics	62
Ionic liquids beyond the solvent: structure–activity design for tunable luminescence and next-generation photonic applications	62
Structural transition of a nanodroplet under an alternating electric field: Understandings and predictions from a dynamic density functional theory	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
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	62
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	62
Influence of water penetration on glass fiber-epoxy resin interface under electric field: A DFT and molecular dynamics study	62
A new magnetically separable zwitterionic copolymer hydrogel: Synthesis, characterization, and adsorption studies	61
Solvent free synthesis of carbon modified hexagonal boron nitride nanorods for the adsorptive removal of aqueous phase emerging pollutants	60
Investigate the dynamic compressive (cushioning) response of 3D GFRP composites when the STF matrix base material is modified PEG	60
Molecular aggregation effect on the antagonistic adsorption of pharmaceuticals from aqueous solution using bone char: DFT calculations and multicomponent experimental studies	60
Biperiden Hydrochloride/β -Cyclodextrins supramolecular system and its cytotoxicity against lung adenocarcinoma cells	60
Effect of external electric fields on sulfur dioxide–water systems	60
Insight into molecular mechanism of human insulin encapsulation into the polyacrylic acid/deoxycholic acid-modified chitosan nanogel: An experimental and molecular dynamics investigation	59
Advanced machine learning-based modeling of interfacial tension in the crude oil-brine-diethyl ether system: Insights into the effects of temperature and salinity	59
Investigation of the phase behavior of an aqueous solution comprising anionic and cationic surfactant mixtures	59
Machine learning analysis for the rheological mechanism of polysaccharide colloids	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
Nanoscale observations of specific ion effects on the interactions between calcite and oil during ion tuned water flooding	59
Temperature-driven molecular aggregation and phase behavior in sec-butyl alcohol/water mixtures	58
Nano dance: Unraveling Ceria's self-assembly symphony	58
Multifunctional cationic pyridinium surfactants: molecular assemblies for drug solubilization and bioactive applications	58
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	58
Water jumps over a nanogap between two disjoint carbon nanotubes assisted by thermal fluctuation	58
Oil detachment enhancement from rough calcite using silica/titania nanocomposite: Molecular dynamics simulation approach	58
Optimizing parameters to improve PDMS surface wettability and the thermal conductivity analysis	58
Facile synthesis of copper oxide nanoparticles (CuONPs) using green method to promote photocatalytic and biocidal applications	57
Effect of mixed surfactants on foam stabilization: A molecular dynamics simulation	57
Study on the mechanism of surfactant droplet wetting and coagulation of respiratory dust: The case of AEO-9	57
On the hydrolysis of iron ions: DFT-based molecular dynamics perspective	57
Artificial intelligent approach for flow stability in Eyring Powell hybrid nanofluids via porous shrinking sheets	57
Immobilization of chalcone chemosensor into plasma-pretreated recycled polyester fibers toward multi-stimuli responsive textiles for detection of ammonia	57
Studying the effect of various types of chemical reactions on hydrodynamic properties of dispersion and peristaltic flow of couple-stress fluid: Comprehensive examination	57

Difference in aqueous solution structure at 293.2 and 473.2 K between ethanol and ethylene glycol via molecular dynamics	57
Scale inhibition mechanism of itaconic acid-sodium methacrylate sulfonate on calcite: Quantum chemical calculation and molecular dynamics simulation	57
Understanding the pH-responsive behaviour of alkylamine surfactants	57
Corrosion inhibition of mild steel in 1 M HCl using 4-chlorothiobenzamide: Molecular and computational insights	57
Efficient and selective extraction of gold from acidic leaching solutions using novel guanidinium ionic liquid	56
On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study	56
Radiolytic degradation of β-lactam and tetracycline antibiotics in the presence of protein	56
The hydration effect on hydrogen bond strength in the second coordination sphere of ethylenediamine and glycine metal complexes	56
Molecular simulation on structural and molecular properties of polymer-blend nanoparticles	56
Anti-inflammatory drug diclofenac removal by a synthesized MgAl layered double hydroxide	56
Investigation the binding and partition properties of azithromycin drug using drug-surfactant mixed micelles in the presence of trisodium citrate electrolyte	55
Chromo-fluorogenic detection of Sarin, Tabun, and mustard gas mimics triggering the ring-opening reaction in a spirolactam-based probe	55
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	55
CuCo2O4/CeO2 S-scheme photocatalyst for promoted CO2 photoreduction to CH3OH	55
Surface-functionalized nanoparticles for targeted drug delivery across the blood-brain barrier: advances and challenges in neurodegenerative disease therapy	54
Hydrophobic eutectic solvents for sustainable recovery of carotenoids from mango peel: Extraction optimization and insights into molecular interactions at play	54
Nutraceutical formulated oil-in-water emulsion: Synthesis, characterization and biological applications	54
Extraction of flavonoids from Glycyrrhiza residues using deep eutectic solvents and its molecular mechanism	54
Effects of variable thermal conductivity and curvature parameter on the peristalsis of hybrid nanofluid through a curved channel with curvature dependent channel walls	54
Density, critical point, and the structure of supercritical ethanol–water mixtures	54
Enhancing electrolyte performance: A DFT study of ethanol-enhanced 1-butyl-3-methylimidazolium tetrafluoroborate complex systems adsorption on graphene surface	54
Keys to enhancing efficiency in nanoparticle-based foam EOR: Experimental insights into different types of surfactant-nanoparticle interactions	54
Cu-trimesic acid-based metal organic frameworks for improved ß-galactosidase immobilization: Enhanced stability, reusability and lactose hydrolysis	53
Induced re-entrant SmA phase in binary mixtures of lactic acid derivatives	53
Coordination reaction triggered xanthan gum and Fe(III) self-assembly and adsorption on hematite surface for quartz-hematite flotation separation	53
Pluronics® based Penta block copolymer micelles as a precursor of smart aggregates for various applications: A review	53
Local field and deformation of droplets in emulsions	53
Mechanisms of surfactant improving water injection huff and puff efficiency in tight reservoir	53
Hydrophobic solvation and liquid water: A theoretical investigation using thermodynamic perturbation and integral equations theory	53
Molecular basis of the activity of a photoswitchable histone deacetylase inhibitor	52
Coalescence behavior of fully submerged CO2 nanobubbles: A molecular dynamics based parametric study	52
A critical review of main enhanced oil recovery mechanisms by considering recent applications of green and novel nanocomposites	52
The effect of alkyl chain on the corrosion inhibition of benzyldimethylammonium chloride in acidic environments	52
Interaction mechanism of soy protein isolate with aldehyde flavor compounds: Differences in carbon chain length and unsaturation	52
Solubilization and remediation of polycyclic aromatic hydrocarbons in groundwater by cationic surfactants coupled nanobubbles: Synergistic mechanism and application	52
A molecular dynamic insight into CO2 diffusion of type III porous liquids	51
The decisive role of filtration reducers’ surface charge in affecting drilling fluid filtration performance	51
Catalytic reduction of toxins with metal nanoparticles fabricated in microgels and sodium borohydride: A comprehensive review	51
Highly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach	51
Removal of phenolic compounds from aqueous solution using Hydrophobic deep eutectic Solvent: Liquid-Liquid phase behavior and intermolecular interactions	51
Vapor-liquid equilibrium for dimethyl ether and three imidazolium ionic liquids as working pairs in absorption-refrigeration cycle	51
Binary dyes adsorption onto novel designed magnetic clay-biopolymer hydrogel involves characterization and adsorption performance: Kinetic, equilibrium, thermodynamic, and adsorption mechanism	51
Density functional theory study on biodiesel production from yeast lipid catalyzed by imidazolium ionic liquid	51
Double-Brønsted acidic deep eutectic solvents and their applications as solvents and catalysts in chemical transformations	51
Comparative study on encapsulation of four different flavonoids into pea protein isolate nanoparticles: The impact of glycosylation	51
Polarizabilities and electric field-induced forces in periodic two-component linear dielectric sphere chains	51
Integrating experimental and first-principles calculations to evaluate Gleditsiae Sinensis Fructus extract as an eco-friendly corrosion inhibitor for Q235 steel in acidic environment	51
Cellulose nanoproducts isolated from lignocellulosic materials using DES-like mixtures – A minireview: State-of-the-art 2023	50
Structure-dependent intermolecular interactions in benzaldehyde/cinnamaldehyde –chlorophenol–hexane ternary liquids: An integrated FTIR and thermoacoustic properties investigation	50
Molecular dynamics study of the influence of water molecular phase state on the replacement of CO2–CH4 hydrate in porous media	50
An efficient malachite sulfidation flotation reagent system: CaSx- potassium n-butoxypropyl xanthate	50
Synthesis, characterization, toxicity evaluation and inhibitory effect of hesperitin-copper (Ⅱ) complex on xanthine oxidase	50
Photophysical study on synthesized triazolium ionic liquids and their stabilizing effect on native state of serum albumin	50
Essential oil of Dysphania ambrosioides as a green corrosion inhibitor for mild steel in HCl solution	50
Hydrogen bond-driven interactions between chitosan and biobased surfactants: A study of bulk behavior and surface adsorption	50
DFT study of difluoro & trifluoro bi-cyclohexane based dimer for application in electronic and optical devices	50
Comparative study on ethosomes and transferosomes for enhancing skin permeability of sinapic acid	50
Utilizing different machine learning methods to accurately predict density, temperature, velocity, and thermal conductivity of hydrophilic, hydrophobic, and compound materials	50
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	50
Ionic liquid-mediated drug delivery: A review on progress and challenges focused on poly(ionic liquid) nanoplatforms	50
Poly(tannic acid)-functionalized onion-like carbon nanoparticles derived from candle soot serving as potent lubricant additives	50
Molecular simulation study of methane hydrate decomposition in the presence of hydrophilic and hydrophobic solid surfaces	50
Volumetric, transport and acoustic properties of binary mixtures containing alkanol at 298.15–318.15 K	50
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	50
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	49
A novel self-degradable gel (SDG) as liquid temporary plugging agent for high-temperature reservoirs	49
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	49
Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome	49
Physicochemical properties of ionic liquids with indole removal function	49
The use of carboxylated graphene oxides and related materials for the adsorption of metals and dyes: A review	49
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	49
Columnar mesomorphism in molecular alloys based on Halogen-Bridged PtII/PtIV mixed valence complexes. The key role of the PtII/PtIV ratio	49
Local stress within a granular molecular solvent matrix, a mechanism for individual ion hydration	49
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	49
A cytostatic drug from the class of triazine derivatives: Its properties in aqueous solutions, cytotoxicity, and therapeutic activity	49
Thermodynamic analysis and molecular dynamic simulation of the solubility of risperidone (form I) in the pure and binary solvents	49
Investigating the Age-Dependent behavior of MoS2-hBN nanohybrid additives on the rheological properties of diesel engine oil	48
Full relaxation dynamics recovery from ultrafast fluorescence experiments by means of the stochastic model: Does the solvent response dynamics depend on the fluorophore nature?	48
In situ gelling microemulsion for topical ocular delivery of moxifloxacin and betamethasone	48
Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts	48
Navigating the molecular landscape of environmental science and heavy metal removal: A simulation-based approach	48
Promoting dissolution behaviors of low-carbon alcohol polyoxyethylene polyoxypropylene ether in CO2 by molecular structure optimization and adding cosolvent	48
SAFT- γ	48
Surface-modified silica nanoparticles for enhanced oil recovery in sandstone cores	48
In silico design of a multi-epitope vaccine against Providencia Stuartii using reverse vaccinology and immunoinformatics approaches	48
Thermophysical characterization on water and ethylene glycol/water-based MgO and ZnO nanofluids at elevated temperatures: An experimental investigation	48
Aqueous dispersions of highly conductive carbon nanomaterials: Unusual aggregation mechanism	48
Linear hydrophobic congeneric groups of bile acid anion derivatives based on the self-association (micellization) process and the phenomenon of enthalpy–entropy compensation	48
Affinity and putative entrance mechanisms of alkyl sulfates into the β-CD cavity	48
Solubility of oxides and other substances in fluoride molten salts with a primary focus on FLiNaK (eutectic): overview and experimental challenges	48
Synthesis and characterization of new imidazolium based protic ionic liquids obtained by nitro- and cyano-functionalization	48
Molecular insights into the compression response of nitrogen/tetrafluoromethane liquid mixture from ab initio molecular dynamics	48
Improving the separation of guaiacol from n-hexane by adding choline chloride to glycol extracting agents	47
Enhancing solubility of organic crystalline ingredients in aqueous phase through preferential spatial association with polyols	47
α-Amylase inhibition, anti-glycation property and characterization of the binding interaction of citric acid with α-amylase using multiple spectroscopic, kinetics and molecular docking approaches	47