Adrian Szewczyk, Dorota Warmińska, Jakub Ruszkowski, Michał Szymankiewicz, Magdalena Prokopowicz
{"title":"利用天然深共晶溶剂提高甲硝唑的溶解度:物理化学和热力学研究","authors":"Adrian Szewczyk, Dorota Warmińska, Jakub Ruszkowski, Michał Szymankiewicz, Magdalena Prokopowicz","doi":"10.1016/j.molliq.2024.125604","DOIUrl":null,"url":null,"abstract":"This research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with the concentration of ChCl:CA NADES (from 6.7743 to 26.8518 at 298.5 K, for 30 and 70 wt% NADES-water mixtures, respectively), and it was more effective when compared to aqueous solutions of individual NADES components with wt.% corresponding to these in the NADES-water mixtures. The study also found a preferable mixing of MNZ with aqueous solutions of NADES reflected by negative values of standard molar enthalpy change of mixing (approx. − 4.2 kJ·mol), compared with positive values in the case of MNZ mixing with water or ChCl aqueous solutions (approx. 7.3 kJ·mol). Comparative research conducted on the volume and acoustics of MNZ in water and aqueous solutions of ChCl, CA, and ChCl:CA NADES also confirmed stronger interactions between the drug and NADES and CA. The dominant interactions between MNZ and co-solvent were hydrophilic-hydrophobic and hydrophobic-hydrophobic. This effect increased in the following strength order: ChCl < NADES<CA. In conclusion, the obtained NADES seems to be a promising co-solvent which provides solid grounds for further research to evaluate the full potential in pharmaceutical design of MNZ liquid formulations.","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":null,"pages":null},"PeriodicalIF":5.3000,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies\",\"authors\":\"Adrian Szewczyk, Dorota Warmińska, Jakub Ruszkowski, Michał Szymankiewicz, Magdalena Prokopowicz\",\"doi\":\"10.1016/j.molliq.2024.125604\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with the concentration of ChCl:CA NADES (from 6.7743 to 26.8518 at 298.5 K, for 30 and 70 wt% NADES-water mixtures, respectively), and it was more effective when compared to aqueous solutions of individual NADES components with wt.% corresponding to these in the NADES-water mixtures. The study also found a preferable mixing of MNZ with aqueous solutions of NADES reflected by negative values of standard molar enthalpy change of mixing (approx. − 4.2 kJ·mol), compared with positive values in the case of MNZ mixing with water or ChCl aqueous solutions (approx. 7.3 kJ·mol). Comparative research conducted on the volume and acoustics of MNZ in water and aqueous solutions of ChCl, CA, and ChCl:CA NADES also confirmed stronger interactions between the drug and NADES and CA. The dominant interactions between MNZ and co-solvent were hydrophilic-hydrophobic and hydrophobic-hydrophobic. This effect increased in the following strength order: ChCl < NADES<CA. In conclusion, the obtained NADES seems to be a promising co-solvent which provides solid grounds for further research to evaluate the full potential in pharmaceutical design of MNZ liquid formulations.\",\"PeriodicalId\":371,\"journal\":{\"name\":\"Journal of Molecular Liquids\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2024-07-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Liquids\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.molliq.2024.125604\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.molliq.2024.125604","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies
This research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with the concentration of ChCl:CA NADES (from 6.7743 to 26.8518 at 298.5 K, for 30 and 70 wt% NADES-water mixtures, respectively), and it was more effective when compared to aqueous solutions of individual NADES components with wt.% corresponding to these in the NADES-water mixtures. The study also found a preferable mixing of MNZ with aqueous solutions of NADES reflected by negative values of standard molar enthalpy change of mixing (approx. − 4.2 kJ·mol), compared with positive values in the case of MNZ mixing with water or ChCl aqueous solutions (approx. 7.3 kJ·mol). Comparative research conducted on the volume and acoustics of MNZ in water and aqueous solutions of ChCl, CA, and ChCl:CA NADES also confirmed stronger interactions between the drug and NADES and CA. The dominant interactions between MNZ and co-solvent were hydrophilic-hydrophobic and hydrophobic-hydrophobic. This effect increased in the following strength order: ChCl < NADES
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.