Theoretical and experimental evidence for the use of natural deep eutectic solvents to increase the solubility and extractability of curcumin

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids Pub Date : 2022-08-01 DOI:10.1016/j.molliq.2022.119149

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

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引用次数: 5

Abstract

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.

Abstract Image

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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

天然深共晶溶剂(NADESs)是一类新型的环境友好型液体，由于其对生态有益的特点，可以取代传统的有机溶剂在工业应用中。这些新型有机溶剂是通过两种或多种自然存在的物质之间的弱相互作用(主要是氢键)形成的。尽管它们是最近才被发现和认识的，但由于其独特的性质，NADESs一直是重要和令人兴奋的研究主题。本研究旨在确定八种NADESs的热力学性质及其对姜黄素的溶解度，姜黄素是一种天然存在的具有重要药用价值的物质。本研究采用体外和芯片双重策略:首先，利用傅里叶变换红外光谱对nades进行表征;其次，使用Turbomole和COSMOThermX工具模拟各种组合和混合物。此外，还发现NADES1中的姜黄素活性系数比其他NADESs(0.23-3.4)或单个成分(2.4-5.4)和水(8.9)高- 0.31。结果表明，所研究的NADESs在氢键和姜黄素增溶能力方面具有关键的结构特征。

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

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.