All Stories

  1. Tuning Ferulic Acid Solubility in Choline-Chloride- and Betaine-Based Deep Eutectic Solvents: Experimental Determination and Machine Learning Modeling
  2. Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
  3. Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
  4. Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
  5. Effect of Nanohydroxyapatite on Silk Fibroin-Chitosan Interactions. Molecular Dynamics Study
  6. Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
  7. Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
  8. Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
  9. MOLECULAR DYNAMICS SIMULATIONS OF THE AFFINITY OF CHITIN AND CHITOSAN FOR COLLAGEN: THE EFFECT OF pH AND THE PRESENCE OF SODIUM AND CALCIUM CATIONS
  10. Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
  11. Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
  12. Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
  13. Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
  14. Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
  15. Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
  16. Treatment innovation using solar/UV
  17. Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
  18. Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
  19. New Insights into Thermodynamics of Solutes in Neat and Complex Solvents
  20. Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
  21. New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
  22. Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
  23. Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
  24. Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
  25. Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
  26. Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
  27. Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
  28. Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
  29. Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
  30. Studies on the solid–liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
  31. Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
  32. Solubility of sulfanilamide in binary solvents containing water: Measurements and prediction using Buchowski-Ksiazczak solubility model
  33. The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
  34. Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
  35. Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
  36. Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acid Cocrystal Using 1D and 2D Molecular Descriptors
  37. Solubility advantage of sulfanilamide and sulfacetamide in natural deep eutectic systems: experimental and theoretical investigations
  38. Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
  39. Experimental and theoretical solubility advantage screening of bi-component solid curcumin formulations
  40. Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers
  41. Cocrystals Dissolution Rate
  42. Phenolic Acids as Methylxanthines Cocrystals Solubility Enhancers
  43. Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
  44. Exploring the cocrystallization potential of urea and benzamide
  45. Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
  46. Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
  47. Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite
  48. On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
  49. On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
  50. Photodegradation of EHMC
  51. Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
  52. Reaction of aniline with ammonium persulphate and concentrated hydrochloric acid: Experimental and DFT studies