All Stories

  1. Coconut Milk-Derived Bioactive Peptides as Multifunctional Agents Against Hyperglycemia, Oxidative Stress, and Glycation: An Integrated Experimental and Computational Study
  2. Data-Driven Classification of Solubility Space in Deep Eutectic Solvents: Deciphering Driving Forces Using PCA and K-Means Clustering
  3. Evaluating the Effectiveness of Reference Solvent Solubility Calculations for Binary Mixtures Based on Pure Solvent Solubility: The Case of Phenolic Acids
  4. Duality of Simplicity and Accuracy in QSPR: A Machine Learning Framework for Predicting Solubility of Selected Pharmaceutical Acids in Deep Eutectic Solvents
  5. Navigating the Deep Eutectic Solvent Landscape: Experimental and Machine Learning Solubility Explorations of Syringic, p-Coumaric, and Caffeic Acids
  6. Tribological effects of hyaluronic acid concentration on articular cartilage: pin-on-plate friction tests in porcine and osteoarthritic human tissue
  7. Duality in Simplicity and Accuracy in QSPR: A Machine Learning Framework for Predicting the Solubility of Diverse Pharmaceutical Acids in Deep Eutectic Solvents
  8. Identification and 3D modeling of bioactive peptides from Lactobacillus brevis RAMULAB49 protein hydrolysate with in silico ERK1 phosphorylation inhibition activity targeting diabetic nephropathy
  9. From Molecular Interactions to Solubility in Deep Eutectic Solvents: Exploring Flufenamic Acid in Choline-Chloride- and Menthol-Based Systems
  10. Environmental fate and ecotoxicity of diclofenac degradation products generated by photo-assisted advanced oxidation processes
  11. Environmental and toxicological aspects of sulfamethoxazole photodegradation in the presence of oxidizing agents
  12. Molecular dynamics analysis of hyaluronic acid–albumin complexes: effect of the HSA-to-HA ratio on structure and stability
  13. Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes
  14. Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes
  15. Exploration of the Solubility Hyperspace of Selected Active Pharmaceutical Ingredients in Choline- and Betaine-Based Deep Eutectic Solvents: Machine Learning Modeling and Experimental Validation
  16. Tuning Ferulic Acid Solubility in Choline-Chloride- and Betaine-Based Deep Eutectic Solvents: Experimental Determination and Machine Learning Modeling
  17. Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
  18. Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
  19. Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
  20. Effect of Nanohydroxyapatite on Silk Fibroin-Chitosan Interactions. Molecular Dynamics Study
  21. Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
  22. Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
  23. Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
  24. MOLECULAR DYNAMICS SIMULATIONS OF THE AFFINITY OF CHITIN AND CHITOSAN FOR COLLAGEN: THE EFFECT OF pH AND THE PRESENCE OF SODIUM AND CALCIUM CATIONS
  25. Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
  26. Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
  27. Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
  28. Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
  29. Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
  30. Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
  31. Treatment innovation using solar/UV
  32. Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
  33. Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
  34. New Insights into Thermodynamics of Solutes in Neat and Complex Solvents
  35. Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
  36. New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
  37. Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
  38. Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
  39. Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
  40. Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
  41. Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
  42. Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
  43. Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
  44. Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
  45. Studies on the solid–liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
  46. Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
  47. Solubility of sulfanilamide in binary solvents containing water: Measurements and prediction using Buchowski-Ksiazczak solubility model
  48. The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
  49. Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
  50. Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
  51. Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acid Cocrystal Using 1D and 2D Molecular Descriptors
  52. Solubility advantage of sulfanilamide and sulfacetamide in natural deep eutectic systems: experimental and theoretical investigations
  53. Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
  54. Experimental and theoretical solubility advantage screening of bi-component solid curcumin formulations
  55. Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers
  56. Cocrystals Dissolution Rate
  57. Phenolic Acids as Methylxanthines Cocrystals Solubility Enhancers
  58. Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
  59. Exploring the cocrystallization potential of urea and benzamide
  60. Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
  61. Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
  62. Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite
  63. On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
  64. On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
  65. Photodegradation of EHMC
  66. Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
  67. Reaction of aniline with ammonium persulphate and concentrated hydrochloric acid: Experimental and DFT studies