<p>In this study, alkaline ternary combinations Choline Chloride – based type III deep eutectic solvents (TDES) (with Urea and <i>L</i>-Arginine or Xylitol and <i>L</i>-Arginine as hydrogen bond donors) are considered. The fact of chemical interaction between the components of the TDES systems was confirmed by the proton nuclear magnetic resonance (1H NMR). Using a density functional theory (DFT) computational approach, a theoretical analysis was carried out to justify the intermolecular interactions induced among the components. It was established that the Urea molecule has greater hardness (η = 6.2708&#xa0;eV) than Xylitol (η = 4.8669&#xa0;eV), thus Urea can form stronger hydrogen bonds and has a more rigid structure. The pH of the systems varies in the range 10.19–10.26. The presence of multiple hydroxyl groups in Xylitol allows for better solvation of the ions, enhancing conductivity TDES Choline Chloride-Xylitol-<i>L</i>-Arginine (4.473 S/m). Rheological analysis showed that addition of Urea or Xylitol increases the thermal stability of Choline Chloride-L-Arginine system. The system Choline Chloride-Xylitol-L-Arginine shows higher thermal stability. Water is also known to have a significant impact on the physicochemical characteristics of TDES, particularly on hydrophilic qualities, thus the properties of DES mixture with water (content 50%) were investigated. Water does not destroy the structure of DES. The effect of temperature on dynamic viscosity (T = 290 – 315&#xa0;K) of the synthesized TDES was also evaluated. The solubility of ibuprofen and acetylsalicylic acid in DESs and aqueous solutions of TDES were measured. The solubility of aspirin and ibuprofen varies depending on the TDES composition and exposure duration. After a day, TDES solutions with water exhibit the maximum absorbance, suggesting that their solubility has improved over time. The analytical metric approach of greenness (AGREEprep) was used to compare the selected solvents for the preparations and assess the environmental friendliness of the conducted studies. </p>

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Synthesis and Physico-Chemical Characterisation Alkaline Ternary Deep Eutectic Solvent (TDES) and Use for Enhanced Dissolution of Pharmaceutical Ingredients

  • Victoria Vorobyova,
  • Margarita Skiba,
  • Anastasiia Moshchenko,
  • Georgii Vasyliev

摘要

In this study, alkaline ternary combinations Choline Chloride – based type III deep eutectic solvents (TDES) (with Urea and L-Arginine or Xylitol and L-Arginine as hydrogen bond donors) are considered. The fact of chemical interaction between the components of the TDES systems was confirmed by the proton nuclear magnetic resonance (1H NMR). Using a density functional theory (DFT) computational approach, a theoretical analysis was carried out to justify the intermolecular interactions induced among the components. It was established that the Urea molecule has greater hardness (η = 6.2708 eV) than Xylitol (η = 4.8669 eV), thus Urea can form stronger hydrogen bonds and has a more rigid structure. The pH of the systems varies in the range 10.19–10.26. The presence of multiple hydroxyl groups in Xylitol allows for better solvation of the ions, enhancing conductivity TDES Choline Chloride-Xylitol-L-Arginine (4.473 S/m). Rheological analysis showed that addition of Urea or Xylitol increases the thermal stability of Choline Chloride-L-Arginine system. The system Choline Chloride-Xylitol-L-Arginine shows higher thermal stability. Water is also known to have a significant impact on the physicochemical characteristics of TDES, particularly on hydrophilic qualities, thus the properties of DES mixture with water (content 50%) were investigated. Water does not destroy the structure of DES. The effect of temperature on dynamic viscosity (T = 290 – 315 K) of the synthesized TDES was also evaluated. The solubility of ibuprofen and acetylsalicylic acid in DESs and aqueous solutions of TDES were measured. The solubility of aspirin and ibuprofen varies depending on the TDES composition and exposure duration. After a day, TDES solutions with water exhibit the maximum absorbance, suggesting that their solubility has improved over time. The analytical metric approach of greenness (AGREEprep) was used to compare the selected solvents for the preparations and assess the environmental friendliness of the conducted studies.