An Exploration of the Antiproliferative Potential of Chalcones and Dihydropyrazole Derivatives in Prostate Cancer via Androgen Receptor: Combined QSAR, Machine Learning, and Molecular Docking Techniques

2022-6-1

Synthesized of Novel Imidazole-derived Schiff Base as a Corrosion Inhibitor of Carbon Steel in Acidic Medium Supported by Electrochemical and DFT Studies

2022-6-1

Benzimidazole Derivatives in Identifying Novel Acetylcholinesterase Inhibitors: A Combination of 3D-QSAR, Docking and Molecular Dynamics Simulation

2022-6-1

Density Functional Theory Study of the Reaction Behavior Histidine Modified Polyamidoamine Dendrimer as Nanocarrier for Delivery of Ectoine Drug

2022-6-1

The Modification of the BET Surface Area by Considering the Excluded Area of Adsorbed Molecules

2022-6-1

Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study

2022-6-1

The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study

2022-3-1

Effect of Polarity on the Interaction Energies of some Organic Solvent (OS)-Water System and Formation of Donor-acceptor Complex: Quantum Mechanical MP4 Study

2022-3-1

Docking and 2D-Structure-activity Relationship and ADMET Studies of Acetylcholinesterase Inhibitors

2022-3-1

Effect of Temperature and Electrode Thickness on the Performance of Dye-Sensitized Solar Cells

2022-3-1

Graphene Oxide/Activated Clay/Gelatin Composites: Synthesis, Characterization and Properties

2022-3-1

On the Effect of the Hard-sphere Term on the Statistical Associating Fluid Theory Equation of State

2022-3-1

Quality Parameters, Empirical and Kinetic Models of Lycopene and Beta-carotene Bioformation in Tomatoes (Solanum lycopersicum)

2022-3-1

Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study

2022-3-1

Photocatalytic and Optical Performances of CeO2 by Substitution of Titanium

2021-12-1

The Electronic Response of Pristine, Si, and Al-doped B12N12 Nanocage to an Ecstasy Drug: A DFT Study

2021-12-1

A Comparative Study on Water and Ethanol Separation Mixture by Different Solvents: New Experimental and Correlation Data

2021-12-1

Fick and Maxwell-Stefan Diffusion Coefficients in the Ternary Liquid Mixture of Acetone-Methanol-Chloroform

2021-12-1

Comparative Study of Adsorption of Safranin o by TiO2/Activated Carbon and Chitosan/TiO2/Activated Carbon Adsorbents

2021-12-1

Modified Mesoporous HMS Supported V/W for Oxidative Desulfurization of Dibenzothiophene

2021-12-1

Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase

2021-12-1

Synthesis, PASS, In Silico ADMET and Thermodynamic Studies of Some Galactopyranoside Esters

2021-12-1

Predicting the Surface Tension of Refrigerants from Density Gradient Theory and Perturbed Hard-sphere Equation of State

2021-12-1

Viscometric Properties of Binary Mixtures of 1,4-Butanediol + Cresols at Different Temperatures

2021-12-1

Molecular Dynamics Simulation of Phosphorus Trichloride (PCl3) and Phosphorus Triiodide (PI3) Liquids by Using the Force-fields Derived from a Quantum Chemical Approach

2021-9-1

Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies

2021-9-1

Pharmacokinetics and Molecular Docking Studies of Uridine Derivatives as SARS-COV-2 M-pro Inhibitors

2021-9-1

Deposition-Precipitation Synthesized CuCo/Activated Carbon Catalysts for Benzyl Alcohol Oxidation Reaction

2021-9-1

Functionalized Banana Stalk for Lumefantrine Drug Removal

2021-9-1

Extraction, Characterization and Methyl Orange Sequestration Capacity of Cellulose Nanocrystals Derived from Sugarcane Bagasse: Experimental and Regression Modelling

2021-9-1

Phase Equilibria of PEG/Sulfate Salt Aqueous Two-Phase Systems: Effects of pH and Molecular Weight of Polymer

2021-9-1

Photocatalytic Degradation of Ethylbenzene in Aqueous Solutions by ZnFe2O4 Nanoparticles Supported on the Copper Slag: Optimization, Kinetics and Thermodynamics Studies

2021-9-1

Structural Properties of Human Chorionic Gonadotropin (hCG) Affected by Ultrasonic Irradiation: An in Vitro Study

2021-9-1

The Influence of 6-Shogaol, a Therapeutic Agent of Zingiber Officinale, on the Interaction of Ciprofloxacin with Bovine Serum Albumin

2021-9-1

Application of Agricultural Wastes as a Low-cost Adsorbent for Removal of Heavy Metals and Dyes from Wastewater: A Review Study

2021-6-1

A Comprehensive Study on Synthesis Parameters of TiO2 Nanotube Arrays: The Effects on Morphology and Photocatalytic Degradation of Para-NitroPhenol

2021-6-1

ZnO-MgFe2O4/(Mg)- or (Zn)-Al-LDH Composites: Adsorption Efficiency, Kinetics, and Adsorption Isotherm for Congo Red Removal

2021-6-1

A Facile Protocol for Designing the CdS/PbS Multi Layered Quantum Dots with Enhanced Photoelectrochemical Performance

2021-6-1

How Co-Precipitation Reaction Parameters Control the Characteristics and Features of Iron Oxide Nanoparticles

2021-6-1

Relaxation Processes in a Dimethylimidazolium Chloride-methanol System

2021-6-1

Structural, Spectroscopic (UV-Vis and IR), Electronic and Chemical Reactivity Studies of (3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone

2021-6-1

Surface Modification of BiVO4 Using (3-Aminopropyl) Triethoxysilane and Study of the Photocatalytic Properties and Process Optimization

2021-6-1

Using Iron-copper Nanocomposites Prepared by Peanut Vine Extracts for the Removal of Pefloxacin and Enrofloxacin from an Aqueous Solution: Isotherms, Kinetics, and Mechanism

2021-6-1

Synthesis, Characterization and Spectroscopic Studies on the Interaction Between -Casein and Co)II( Schiff Base Complex

2021-3-1

Grafting Drugs to Functionalized Single-wall Carbon Nanotubes as a Potential Method for Drug Delivery

2021-3-1

Electrochemical Evaluation of the Catalytic Effect of Natural Phosphate on the Oxidation of Aascorbic Acid: Analytical Application in Human Blood

2021-3-1

Kinetics of Corn Oil Methanolysis Reaction over Na-Modified Mesoporous Gamma Alumina Catalyst

2021-3-1

Detection of Cyanogen Halides by B36 Nanocluster: DFT Study

2021-3-1

Adsorption Behavior, Electronical and Thermodynamic Properties of Ornidazole Drug on C60 Fullerene Doped with Si, B and Al: A Quantum Mechanical Simulation

2021-3-1

Kinetic, Isotherm, and Thermodynamic Studies of Methylene Blue Adsorption over Metal-doped Zeolite Nano-adsorbent

2021-3-1