Maciej Przybyłek

intermolecular interactions solubility cosmo-rs theoretical chemistry molecular modeling machine learning chitosan qspr quantum chemistry deep eutectic solvents dsc molecular dynamics hydrogen bonds collagen affinity green solvents crystal engineering cocrystallization cocrystal screening chlorination pharmaceuticals and personal care products dft in silico dapsone physical chemistry wet eutectic solvents edaravone biomaterials neat solvents hyaluronic acid bio-polymers binary solvents molecular complexes nades curcumin polymers fourier transform infrared spectroscopy computational chemistry green chemistry pharmaceutical cocrystals salicylamide ethenzamide solvent evaporation benzoic acid acetylsalicylic acid orientation effect salicylic acid crystallite sunscreen amides binary mixtures molecular descriptors droplet evaporation carboxylic acids urea screening cocrystals benzamide oxidation (e)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylh octinoxate emerging pollutants uvinul mc80 octyl methoxycinnamate (rs)-2-ethylhexyl (2e)-3-(4-methoxyphenyl)prop-2-e ethylhexyl methoxycinnamate environmental engineering photodegradation ketoprofen ibuprofen non-selective cox inhibitors silk fibroin pattern recognition choline chloride cosolvency sulfanilamide chitin structure solvents shake-flask uv-vis ftir-atr sulfonamides hyperparameters tuning learning curve analysis deep learning benzenesulfonamide multiple linear regression density functional theory tautomersim ftir des glycerol ethylene glycol inear regression glyceline ethaline tautomers cosmetics gibbs free energy solvation blends biomolecules peptides binding aqueous organic solvents artificial neural networks phenacetin acetaminophen aliphatic alcohols cosmo-rs-dare coumarin ionic interactions water mediated interactions molecular dynamics simulations human serum albumin hyaluronan molecular docking solubilizing agents excipients screening nutraceuticals drug delivery bcs binding constant cyclodextrin delivery solvent screening pharmaceutics cocrystal solubility hansen solubility parameters acids crystallites powder x-ray diffractometry surfaces aromatic compounds x-ray diffraction water and wastewater treatment 2-ethylhexyl 4-(dimethylamino)benzoate demethylation wastewater treatment persistent pollutants water pollution formaldehyde water treatment persistent organic pollutants reactivity environmental pollution mass spectrometry advanced oxidation processes reactive oxygen and chlorine species environmental chemistry aniline aniline chlorination trichloroaniline hydrochloric acid nitrenium cation ammonium persulphate oxidative chlorination emeraldine polyaniline hydrogen bond enthalpy of mixing 4-hydroxybenzoic acid 4-acetamidobenzoic acid aromatic carboxylic acids miscibility engineered surface thin layer intermolecular interaction energy decomposition surface morphology powder x-ray diffraction crystal morphology molecular modelling oriented samples droplet evaporative crystallization fukui function omc halogenated disinfection byproducts gc-ms frontier molecular orbital theory local reactivity ehmc 2-ethylhexyl-4-methoxycinnamate 5466-77-3 heat of mixing eutectic advanced oxidation process stability 2-ethylhexyl 4-methoxycinnamate waste water treatment micropollutants sunscreens thermodynamics alizarin color td-dft methanol