Phase diagrams of therapeutic deep eutectic solvents (THEDES) under CO2 partial pressure

IF 5.2 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids Pub Date : 2025-07-07 DOI:10.1016/j.molliq.2025.128103

Raúl Díaz, Albertina Cabañas, Eduardo Pérez

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Abstract

There is a growing interest in the study of Therapeutic Deep Eutectic (THEDES) properties in combination with supercritical CO₂ for improved drug delivery. The phase diagrams of two Deep Eutectic Solvents (Ibuprofen:Thymol and Sobrerol:Thymol) were measured under 40 bar partial pressure of CO₂ using a variable volume view cell. The results were compared to data at atmospheric pressure found in the literature. A displacement of the whole diagrams (liquidus and solidus lines) to lower temperatures (≈ 10–16 K) was observed without a significant change of the shape of the diagram. The eutectic composition for the system Ibuprofen:Thymol was not appreciably shifted. For the two systems studied, the temperature drop was slightly higher for the eutectic temperature and solidus line compared to that of the pure components. Solubility of CO₂ in the liquid phase for pure compounds and DES was estimated and related to deviations from ideality of the mixture at atmospheric pressure. The decrease of the melting point of the eutectic mixtures under CO₂ pressure can expand the liquid range of the THEDES enabling new formulations.

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CO2分压下治疗性深共晶溶剂（THEDES）的相图

人们对治疗性深共晶（THEDES）特性与超临界二氧化碳相结合以改善药物传递的研究越来越感兴趣。在40 bar的CO2分压下，用变体积观察池测量了两种深度共晶溶剂（布洛芬：百里香酚和索布罗罗：百里香酚）的相图。结果与文献中发现的大气压数据进行了比较。观察到整个图（液相线和固相线）向较低温度（≈10-16 K）的位移，图的形状没有明显变化。布洛芬：百里酚体系的共晶组成没有明显的变化。对于所研究的两种体系，与纯组分相比，共晶温度和固相线的温度下降略高。估计了纯化合物和DES的液相中CO2的溶解度，并与混合物在大气压下的理想偏差有关。在CO2压力下，共晶混合物熔点的降低可以扩大THEDES的液体范围，从而形成新的配方。

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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.