The solvent effect, preferential solvation of metformin hydrochloride in binary mixed solvents of methanol/ethanol + water mixtures from 278.15 K to 323.15 K

Q1 Social Sciences

South African Journal of Chemical Engineering Pub Date : 2025-01-17 DOI:10.1016/j.sajce.2025.01.007

Adel Noubigh , Abdalazeem A. Omar , Manef Abderrabba

{"title":"The solvent effect, preferential solvation of metformin hydrochloride in binary mixed solvents of methanol/ethanol + water mixtures from 278.15 K to 323.15 K","authors":"Adel Noubigh , Abdalazeem A. Omar , Manef Abderrabba","doi":"10.1016/j.sajce.2025.01.007","DOIUrl":null,"url":null,"abstract":"<div><div>This study provides a novel quantitative analysis of metformin hydrochloride (MET-HCl) solvation behavior in binary solvents mixtures of methyl alcohol and water, as well as ethyl alcohol and water, addressing critical gaps in understanding its solubility mechanisms for pharmaceutical formulation. We employed the inverse Kirkwood-Buff integrals (IKBI) method to extract key parameters from the solution thermodynamic properties of MET.HCl, yielding valuable insights into its behavior. The findings reveal that MET.HCl is sensitive to solvation effects, with the values of δx1,MET-HCl exhibiting a non-linear relationship with the proportion of solvent (1) in the two solvent mixtures. Specifically, in both the methyl alcohol/water and ethyl alcohol/water systems, all alcoholic aqueous mixture compositions exhibit negative δx1,MET-HCl values. Overall, our results reveal that MET-HCl exhibits preferential solvation by water, with a significantly greater magnitude of preferential solvation observed in ethyl alcohol /water mixtures compared to methyl alcohol /water mixtures. This enhanced solvation by water may be attributed to the disordered structure of the alcohol molecules surrounding the polar regions of MET-HCl. The influence of solvent composition on the molar fraction solubility of MET-HCl was investigated using the Kamlet-Taft linear solvation energy relationship model. The KAT-LSER model revealed that solvent polarity (π*) and ability to accept hydrogen bonds (α) were key factors in MET-HCl dissolution in methyl alcohol and water, as well as ethyl alcohol and water.</div></div>","PeriodicalId":21926,"journal":{"name":"South African Journal of Chemical Engineering","volume":"52 ","pages":"Pages 104-110"},"PeriodicalIF":0.0000,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"South African Journal of Chemical Engineering","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1026918525000071","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Social Sciences","Score":null,"Total":0}

引用次数: 0

Abstract

This study provides a novel quantitative analysis of metformin hydrochloride (MET-HCl) solvation behavior in binary solvents mixtures of methyl alcohol and water, as well as ethyl alcohol and water, addressing critical gaps in understanding its solubility mechanisms for pharmaceutical formulation. We employed the inverse Kirkwood-Buff integrals (IKBI) method to extract key parameters from the solution thermodynamic properties of MET.HCl, yielding valuable insights into its behavior. The findings reveal that MET.HCl is sensitive to solvation effects, with the values of δx₁_,_MET-HCl exhibiting a non-linear relationship with the proportion of solvent (1) in the two solvent mixtures. Specifically, in both the methyl alcohol/water and ethyl alcohol/water systems, all alcoholic aqueous mixture compositions exhibit negative δx₁_,_MET-HCl values. Overall, our results reveal that MET-HCl exhibits preferential solvation by water, with a significantly greater magnitude of preferential solvation observed in ethyl alcohol /water mixtures compared to methyl alcohol /water mixtures. This enhanced solvation by water may be attributed to the disordered structure of the alcohol molecules surrounding the polar regions of MET-HCl. The influence of solvent composition on the molar fraction solubility of MET-HCl was investigated using the Kamlet-Taft linear solvation energy relationship model. The KAT-LSER model revealed that solvent polarity (π*) and ability to accept hydrogen bonds (α) were key factors in MET-HCl dissolution in methyl alcohol and water, as well as ethyl alcohol and water.

Abstract Image

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

South African Journal of Chemical Engineering Social Sciences-Education

CiteScore

8.40

自引率

0.00%

发文量

100

审稿时长

33 weeks

期刊介绍： The journal has a particular interest in publishing papers on the unique issues facing chemical engineering taking place in countries that are rich in resources but face specific technical and societal challenges, which require detailed knowledge of local conditions to address. Core topic areas are: Environmental process engineering • treatment and handling of waste and pollutants • the abatement of pollution, environmental process control • cleaner technologies • waste minimization • environmental chemical engineering • water treatment Reaction Engineering • modelling and simulation of reactors • transport phenomena within reacting systems • fluidization technology • reactor design Separation technologies • classic separations • novel separations Process and materials synthesis • novel synthesis of materials or processes, including but not limited to nanotechnology, ceramics, etc. Metallurgical process engineering and coal technology • novel developments related to the minerals beneficiation industry • coal technology Chemical engineering education • guides to good practice • novel approaches to learning • education beyond university.