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JOURNAL OF MOLECULAR LIQUIDS · 2020 · IF 5.065

Solubility measurement, Hansen solubility parameter and thermodynamic modeling of etodolac in four binary solvents from 278.15 K to 323.15 K

Xiaoran Hu,Yanan Tian,Zidan Cao,Jiao Sha,Zibo Huang,Yu Li,Tao Li,Baozeng Ren

In this study, the laser monitoring method was used to measure the solubility of etodolac in four binary mixtures (( n -propanol, methyl acetate , n -butyl acetate and acetone) +  n -hexane) at 278.15 K–323.15 K. The results show that under a certain solvent composition , the solubility of etodolac increases with the increase of temperature. Except for the mixture of acetone + n -hexane, the solubility of etodolac in the other three mixing systems increases with the increase of the mass fraction of the co-solvent ( n -propanol, methyl acetate and n -butyl acetate) at a certain temperature. For the acetone + n -hexane system, the order of solubility is: acetone > acetone ( ω 1  = 0.6000) +  n -hexane > acetone ( ω 1  = 0.8000) +  n -hexane > acetone ( ω 1  = 0.4000) +  n -hexane > acetone ( ω 1  = 0.2001) +  n -hexane, indicating that a co-dissolution phenomenon may occur when the mass fraction of acetone is 0.6000. The Hansen solubility parameter was used to explain the solubility order of etodolac in four binary mixed solvents. At the same time, five models (modified Apelblat model, Buchowski-Ksiazaczak λh model, Wilson model, Three-Suffix Margules model and Uniquac model) were used to correlate the solubility data, which shows that all the five models have a good correlation. Through the comparison of ARD and RMSD, it was found that the modified Apelblat model can get more satisfactory results.

CAS / MDL: 7647-14-5 41340-25-4
研究领域: 物理化学 · 药学 · 热力学
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JOURNAL OF MOLECULAR LIQUIDS · 2020 · IF 5.065

Solubility, Hansen solubility parameter and thermodynamic properties of etodolac in twelve organic pure solvents at different temperatures

Xiaoran Hu,Yi Gong,Zidan Cao,Zibo Huang,Jiao Sha,Yu Li,Tao Li,Baozeng Ren

In this article, the solubility of etodolac in n -propanol, n -butanol, isopropanol, isobutanol , methyl acetate , n -butyl acetate, n -amyl acetate, isobutyl acetate , isoamyl acetate , toluene, acetone at 278.15 K–323.15 K and dichloromethane at 278.15 K–303.15 K under the pressure of 0.1 MPa was studied using a laser monitoring technology. The experimental results show that the solubility of etodolac in all the 12 pure solvents is positively correlated with the temperature. The van't Hoff model, Apelblat model, λ h model, NRTL model and UNIQUAC model were used to fit the etodolac solubility data. Through comparison, it was found that the Apelblat model has the smallest average values of ARD (average relative deviation) and RMSD (root-mean square deviation), and the average values of ARD% and 104 RMSD were 0.92% and 5.99, respectively. The result shows that the Apelblat model was more suitable for correlating the solubility data. The order of solubility of etodolac was analyzed by using Hansen solubility parameter, and the solvent effect was studied by calculating the KAT-LSER parameter. Besides, the thermodynamic properties of the solution process of etodolac were calculated and analyzed by the van't Hoff analysis. The results show that the dissolution process of etodolac is endothermic and entropy-driven.

研究领域: 药物化学 · 物理化学 · 热力学
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EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES · 2018 · IF 3.466

Mechanistic insights of the controlled release properties of amide adhesive and hydroxyl adhesive

Zheng Luo,Xiaocao Wan,Chao Liu,Liang Fang

Although interactions between drugs and acrylate pressure sensitive adhesives (PSAs) containing amide groups were reported in the previous studies, detailed studies elucidating their mechanism of action are still lacking. In the present study, an amide PSA (AACONH 2 ) and a hydroxyl PSA (AAOH, as the control) were synthesized, and their molecular mechanism of controlled drug release was described. Using zolmitriptan (ZOL) and etodolac (ETO) as model drugs, in vitro drug release and skin permeation experiments were performed. Intermolecular interactions between drugs and PSAs were determined by Flory-Huggins model, FT-IR spectroscopic analysis and molecular modeling. In addition, PSA mobility was evaluated using differential scanning calorimetry and rheology study. Release percent of ZOL and ETO from AACONH 2 were 43.9 ± 0.3% and 50.0 ± 2.0% respectively, while from AAOH, the release percent of ZOL and ETO were 61.4 ± 1.2% and 81.0 ± 1.2% separately. As a consequence of controlled drug release , skin permeation of both drugs was significantly controlled by AACONH 2 . It was demonstrated that AACONH 2 markedly interacted with drugs, especially with ETO, through hydrogen bonding and weak intermolecular forces ( e . g . dipole-dipole and van der waals). PSA mobility of AACONH 2 was significantly increased due to drug-PSA interactions. In conclusion, AACONH 2 had stronger controlled release properties compared with AAOH, which was mainly caused by the stronger interactions between amide groups and drugs. The amide PSA synthesized in the present study was a potential sustained-release excipient for transdermal drug delivery system .

研究领域: 药剂学 · 材料科学 · 药物递送系统
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ACS Sensors · 2025 · IF 9.1

Machine Learning-Assisted Chemical Tongues Based on Dual-channel Inclusion Complexes for Rapid Identification of Nonsteroidal Anti-inflammatory Drugs in Food

Lian Xu,Yan Xiao,Kun Yu,Hongshuo Pan,Jiayi Xu,Yiyun Guan,Mengke Wang,Xiangyu Xu,Hao Wang

The improper application of nonsteroidal anti-inflammatory drugs (NSAIDs) presents significant health hazards via vector food contamination. A critical limitation of these traditional existing approaches is their inability to concurrently discern and distinguish among diverse NSAIDs, presenting a notable gap in the analytical capabilities within this domain. Herein, a creative dual-channel fluorescence sensor array was developed for the rapid discrimination and determination of NSAIDs, utilizing complexes of cucurbit[8]uril (CB[8]) with three distinct modified poly(ethylenimines) (PEIs) to address this challenge. The array successfully differentiated and identified 19 NSAIDs with 97% accuracy at a concentration of 1 mM. In addition, it also achieved analyses of individual NSAIDs across a range of concentrations, NSAID mixtures, and impurities of aspirin using statistical analysis methods. More importantly, the approach effectively detected NSAIDs in complex matrices, such as milk and urine, demonstrating its potential for real-world applications.

研究领域: 分析化学 · 食品安全 · 药物检测
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Analytical Methods · 2020 ·Vol. 12 ·期 21 ·2727-2734 · IF 2.596

Chiral separations with crosslinked cellulose derivatives attached onto hybrid silica monolith particles via the thiol–ene click reaction

Yuhong Zhou,Qian Liang,Zhilun Zhang,Zhaodi Wang,Mingxian Huang

A hybrid silica monolith containing vinyl groups was synthesized by a sol–gel method, and then ground and treated, yielding silica particles with a 3–5 μm particle size and a 10–20 nm pore size. Cellulose derivatives containing 3,5-dimethylphenylcarbamate groups and methacrylate groups regioselectively were then immobilized onto the surface of the above particles by the thiol–ene click reaction using an alkanedithiol as the crosslinking agent, thus forming a solvent-resisting crosslinked network structure attached onto the surface of the particles. The immobilization degree was more than 80%, and the back pressure of the chiral stationary phase (CSP) packed column was relatively low and was maintained at around 3.0 MPa. The as-prepared CSPs were shown to be able to effectively separate various enantiomers with different mobile phases.

研究领域: 分析化学 · 材料科学 · 色谱学
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