JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Yu Li,Huimin Niu,Zidan Cao,Zheqi Wang,Jiao Sha,Liukai Zhu,Fengxin Guo,Yuanhui Chong,Tao Li,Baozeng Ren
In this paper, it was measured that the solubility of riluzole in three binary mixtures ((ethanol/n-propanol/acetone) + H 2 O) through the method of laser monitoring under 278.15–323.15 K and 0.1 MPa. As expected, the solubility of riluzole in three binary solvents increases with rising temperature. For the acetone + water system, the solubility of riluzole increases monotonously with the increasing mass fraction of acetone. For the ethanol + water system, the solubility order is: ethanol ( ω 1 = 0.8999) > ethanol ( ω 1 = 0.7999) > ethanol ( ω 1 = 0.5999) > ethanol ( ω 1 = 0.7000) > ethanol ( ω 1 = 0.5000) > ethanol ( ω 1 = 0.4000). For the n-propanol + water system, the solubility order is: n-propanol ( ω 1 = 0.8000) > n-propanol ( ω 1 = 0.8998) > n-propanol ( ω 1 = 0.6999) > n-propanol ( ω 1 = 0.6000) > n-propanol ( ω 1 = 0.4999) > n-propanol ( ω 1 = 0.4000) > n-propanol ( ω 1 = 0.2999). The above phenomenon shows that when the mass fraction of ethanol is 0.5999 and the mass fraction of n-propanol is 0.8000, co-dissolution may occur. The solubility data were correlated via five models (modified Apelblat model, λh model, NRTL model, Uniquac model and Wilson model). As a result, we found that the modified Apelblat model has the most satisfactory correlation. Finally, the radial distribution function (RDF) obtained from molecular simulation were employed to analyze the solubility sequence of riluzole in more depth.
研究领域:
药物化学
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物理化学
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计算化学
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产品关联
DOI
高影响因子
International Journal of Pharmaceutics-X
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2025
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IF 6.4
Yanan Liu,Guixue Chen,Maojian Li,Man Li,Daoxuan Xie,Zheng Luo
Patients with amyotrophic lateral sclerosis (ALS) often experience difficulty swallowing, making oral administration unsuitable for effective treatment. A transdermal drug delivery system (TDDS) offers a long-acting, non-invasive alternative for ALS therapy. In this study, a riluzole transdermal patch capable of sustained release over 72 h was developed. In vitro skin permeation and pharmacokinetic experiments were conducted to evaluate the impact of various factors—including drug loading, type and concentration of chemical penetration enhancers (CPEs), and type of pressure-sensitive adhesive—on riluzole absorption through the skin. The optimized patch formulation contained 17 % ( w /w) riluzole and 10 % (w/w) polyglyceryl-3 dioleate (PGD), with an adhesive layer thickness of 111 μm. The final prescription penetration rate of riluzole was found to be 2.96 μg/(h·cm 2 ). Optimized formulation displayed enhanced stability and prolonged pharmacokinetic performance ( C max = 74.34 ± 13.62 ng/mL, MRT 0- t = 34.91 ± 11.31 h). No significant skin irritation was observed. The role of PGD in the in vitro release and in vivo transdermal absorption of riluzole was thoroughly investigated. The results revealed that PGD not only reduced the interaction between riluzole and the pressure-sensitive adhesive, enhancing drug release but also increased the fluidity of skin lipids, leading to improved transdermal absorption. This study provides a comprehensive molecular-level understanding of PGD's effect on riluzole permeation, offering valuable insights for the rational selection of CPEs in the development of riluzole TDDS.
研究领域:
药剂学
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神经病学
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皮肤病学
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药物递送系统
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药代动力学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Huimin Niu,Zidan Cao,Xiaoqing Yang,Jiao Sha,Yu Li,Tao Li,Baozeng Ren
The solubility of riluzole in ethanol, n-propanol, n-butanol, n-pentanol, acetone, n-propyl acetate, n-amyl acetate, isopropyl acetate, N, N-dimethylacetamide (DMAC), 2-methoxyethanol, 2-propoxyethanol and acetonitrile was determined by laser detection under the external conditions of 278.15–323.15 K and 0.1 MPa. The experimental results imply that the solubility of riluzole in selected solvents is positively correlated with the temperature. The measured data was correlated with five thermodynamic models, including modified Apelblat model, λ h model, NRTL model, UNIQUAC model, and Two-Suffix Margules model. And the best correlation was found in the modified Apelblat model. The solubility sequence of riluzole in selected solvents was analyzed by Hansen solubility parameter (HSP) which was calculated by using group contribution method. Meanwhile, the influence of solute–solvent interaction on the solubility of riluzole was investigated by using molecular dynamics simulation and solvent effect model (KAT-LSER model). Also, the dissolution thermodynamic properties of the dissolution process were computed and discussed via Van't hoff model. The results show that the solvent has a notable effect on the dissolution behavior of riluzole and this is an entropy-driven and endothermic process.
研究领域:
药物化学
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物理化学
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热力学
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材料科学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）