{"title":"利用天然深共晶溶剂提高姜黄素的溶解度和可萃取性的理论和实验证据","authors":"Oualid Alioui , Widad Sobhi , Matteo Tiecco , Inas M. Alnashef , Ayoub Attoui , Amel Boudechicha , Krishna Kumar Yadav , Ahmed M. Fallatah , Noureddine Elboughdiri , Byong-Hun Jeon , Yacine Benguerba","doi":"10.1016/j.molliq.2022.119149","DOIUrl":null,"url":null,"abstract":"<div><p>Natural Deep Eutectic Solvents (NADESs) are a novel class of environmentally friendly liquids that can replace traditional organic solvents in industrial applications due to their ecologically beneficial features. These novel organic solvents are formed via weak interactions (mostly H-bonds) between two or more naturally existing substances. Even though they were recently found and recognized, NADESs have been the subject of significant and exciting research due to their unique properties. This study aims to determine the thermodynamic properties of eight NADESs and their solubility towards curcumin, a naturally occurring substance with significant medicinal properties. This study used a dual in-vitro and in-silico strategy: first, NADESs were characterized using Fourier transform infrared spectroscopy; second, various combinations and mixes were simulated using the Turbomole and COSMOThermX tools. Additionally, it was discovered that the curcumin activity coefficient in the NADES1 is −0.31 higher than that of the other NADESs (0.23–3.4) or the individual components (2.4–5.4) and water 8.9. The findings demonstrated that the studied NADESs had critical structural features in H-bonding and curcumin solubilization capabilities.</p></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":null,"pages":null},"PeriodicalIF":5.3000,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":"{\"title\":\"Theoretical and experimental evidence for the use of natural deep eutectic solvents to increase the solubility and extractability of curcumin\",\"authors\":\"Oualid Alioui , Widad Sobhi , Matteo Tiecco , Inas M. Alnashef , Ayoub Attoui , Amel Boudechicha , Krishna Kumar Yadav , Ahmed M. Fallatah , Noureddine Elboughdiri , Byong-Hun Jeon , Yacine Benguerba\",\"doi\":\"10.1016/j.molliq.2022.119149\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Natural Deep Eutectic Solvents (NADESs) are a novel class of environmentally friendly liquids that can replace traditional organic solvents in industrial applications due to their ecologically beneficial features. These novel organic solvents are formed via weak interactions (mostly H-bonds) between two or more naturally existing substances. Even though they were recently found and recognized, NADESs have been the subject of significant and exciting research due to their unique properties. This study aims to determine the thermodynamic properties of eight NADESs and their solubility towards curcumin, a naturally occurring substance with significant medicinal properties. This study used a dual in-vitro and in-silico strategy: first, NADESs were characterized using Fourier transform infrared spectroscopy; second, various combinations and mixes were simulated using the Turbomole and COSMOThermX tools. Additionally, it was discovered that the curcumin activity coefficient in the NADES1 is −0.31 higher than that of the other NADESs (0.23–3.4) or the individual components (2.4–5.4) and water 8.9. The findings demonstrated that the studied NADESs had critical structural features in H-bonding and curcumin solubilization capabilities.</p></div>\",\"PeriodicalId\":371,\"journal\":{\"name\":\"Journal of Molecular Liquids\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2022-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Liquids\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0167732222006870\",\"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://www.sciencedirect.com/science/article/pii/S0167732222006870","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Theoretical and experimental evidence for the use of natural deep eutectic solvents to increase the solubility and extractability of curcumin
Natural Deep Eutectic Solvents (NADESs) are a novel class of environmentally friendly liquids that can replace traditional organic solvents in industrial applications due to their ecologically beneficial features. These novel organic solvents are formed via weak interactions (mostly H-bonds) between two or more naturally existing substances. Even though they were recently found and recognized, NADESs have been the subject of significant and exciting research due to their unique properties. This study aims to determine the thermodynamic properties of eight NADESs and their solubility towards curcumin, a naturally occurring substance with significant medicinal properties. This study used a dual in-vitro and in-silico strategy: first, NADESs were characterized using Fourier transform infrared spectroscopy; second, various combinations and mixes were simulated using the Turbomole and COSMOThermX tools. Additionally, it was discovered that the curcumin activity coefficient in the NADES1 is −0.31 higher than that of the other NADESs (0.23–3.4) or the individual components (2.4–5.4) and water 8.9. The findings demonstrated that the studied NADESs had critical structural features in H-bonding and curcumin solubilization capabilities.
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.
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