Journal of Solution Chemistry最新文献

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Appropriate Interpretation of the Ionization Degree of the Micelles. A Critical Review 胶束电离度的适当解释。批评性评论
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-09-21 DOI: 10.1007/s10953-025-01478-9
Erica Patricia Schulz, Guillermo A. Durand, Pablo Carlos Schulz
{"title":"Appropriate Interpretation of the Ionization Degree of the Micelles. A Critical Review","authors":"Erica Patricia Schulz,&nbsp;Guillermo A. Durand,&nbsp;Pablo Carlos Schulz","doi":"10.1007/s10953-025-01478-9","DOIUrl":"10.1007/s10953-025-01478-9","url":null,"abstract":"<div><p>The present work presents a critical review on the ionization degree of the micelles (α), analyzing its derivation from electrostatics, as well as the influence of different factors and their interpretation. We have considered the effect of the hydrocarbon chain length, the aggregation number, the polar group’s size and hydrolysis, the counterions´ charge and cases when non-ionic surfactants or alcohol molecules are included into ionic micelles. The appropriate interpretation of α depends not only on the nature of the system studied but also on the methodology employed for its determination. We have concluded that the most appropriate denomination for this property is <i>degree of counterion release</i>.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 10","pages":"1426 - 1450"},"PeriodicalIF":1.3,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145135093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
N-Alkanoate + N-Alkane Mixtures: Folding of Hydrocarbon Chains of N-Alkanoates 正烷酸盐+正烷混合物:正烷酸盐碳氢链的折叠
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-08-14 DOI: 10.1007/s10953-025-01479-8
Juan Antonio González, Fernando Hevia, Luis Felipe Sanz, Daniel Lozano-Martín, Isaías García de la Fuente, José Carlos Cobos
{"title":"N-Alkanoate + N-Alkane Mixtures: Folding of Hydrocarbon Chains of N-Alkanoates","authors":"Juan Antonio González,&nbsp;Fernando Hevia,&nbsp;Luis Felipe Sanz,&nbsp;Daniel Lozano-Martín,&nbsp;Isaías García de la Fuente,&nbsp;José Carlos Cobos","doi":"10.1007/s10953-025-01479-8","DOIUrl":"10.1007/s10953-025-01479-8","url":null,"abstract":"<div><p>The mixtures CH<sub>3</sub>(CH<sub>2</sub>)<sub><i>u</i>-1</sub>COO(CH<sub>2</sub>)<sub><i>v</i>-1</sub>CH<sub>3</sub> (<i>u</i> = 5–13, <i>v</i> = 1,2; <i>u</i> = 1,2,3; <i>v</i> = 3,4; <i>u</i> = 1,2,4, <i>v</i> = 5) + <i>n</i>-alkane have been investigated on the basis of excess molar functions, enthalpy (<span>(H_{{text{m}}}^{{text{E}}})</span>), volume (<span>(V_{{text{m}}}^{{text{E}}})</span>), isobaric heat capacity (<span>(C_{{p{text{m}}}}^{{text{E}}})</span>), and isochoric internal energy (<span>(U_{{V{text{m}}}}^{{text{E}}})</span>), and viscosity data, and by means of different models (Flory, Grunberg-Nissan and Bloomfield-Dewan). Solutions are characterized by weak orientational effects. Large structural effects are encountered in a number of systems, such as those containing pentane. The variation with the ester size of the difference between the standard enthalpy of vaporization at 298.15 K of an ester and that of the homomorphic alkane along an homologous series formed by methyl or ethyl <i>n</i>-alkanoates reveals the existence of structural changes in longer <i>n</i>-alkanoates, which lead to stronger interactions between them. A similar result is obtained from values of cohesive energy density. The variation of <span>(V_{{text{m}}}^{{text{E}}})</span> values of the corresponding heptane mixtures supports this statement. The observed decrease of <span>(H_{{text{m}}}^{{text{E}}})</span> for systems with a given <i>n</i>-alkane (heptane, e.g.) seems to be more related to the COO group is more sterically hindered than to interactional effects. The <span>(U_{{V{text{m}}}}^{{text{E}}})</span> (<i>n</i>) function (<i>n</i> is the number of C atoms in the <i>n</i>-alkane) shows a minimum for systems with esters characterized by (<i>u</i> <span>(ge)</span> 4, <i>v</i> = 1); (<i>u</i> <span>(ge)</span> 7, <i>v</i> = 2), or (<i>u</i> <span>(ge)</span> 1, <i>v</i> = 4,5). A similar dependence of <span>(U_{{V{text{m}}}}^{{text{E}}})</span> (<i>n</i>) was encountered for <i>n</i>-alkane mixtures involving cyclic molecules (cyclohexane, benzene). This result suggests that certain <i>n</i>-alkanoates, in an alkane medium, can form quasi-cyclic structures. Viscosity data are well described by means of free volume effects only. For systems with butyl ethanoate or methyl decanoate, the variation of <span>(Delta eta)</span>(<i>n</i>) (deviation of dynamic viscosity) is consistent with that of <span>(U_{{V{text{m}}}}^{{text{E}}})</span>(<i>n</i>), which supports the existence of the mentioned cyclic structures in these esters. The Flory model provides poor results on <span>(H_{{text{m}}}^{{text{E}}})</span> for systems characterized by large structural effects. Results are improved when the model is applied to <span>(U_{{V{text{m}}}}^{{text{E}}})</span> data.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 10","pages":"1403 - 1425"},"PeriodicalIF":1.3,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145135092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Review on the Effectiveness of Water-In-Diesel Emulsions as an Alternative Fuel 柴油包水乳剂作为替代燃料的有效性研究进展
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-08-12 DOI: 10.1007/s10953-025-01480-1
Chijindu Ogechi Obunaonye, Chiamaka Prisca Onuoha, Emeka Emmanuel Oguzie, Enos Ihediohamma Emereibeole
{"title":"A Review on the Effectiveness of Water-In-Diesel Emulsions as an Alternative Fuel","authors":"Chijindu Ogechi Obunaonye,&nbsp;Chiamaka Prisca Onuoha,&nbsp;Emeka Emmanuel Oguzie,&nbsp;Enos Ihediohamma Emereibeole","doi":"10.1007/s10953-025-01480-1","DOIUrl":"10.1007/s10953-025-01480-1","url":null,"abstract":"<div><p>In recent decades, researchers have increasingly explored alternative fuels to improve emission characteristics without compromising diesel engine performance. Among these, water-in-diesel emulsion (W/D) has gained attention due to its potential to reduce emissions, while enhancing engine efficiency. This review critically examines the effectiveness of W/D emulsions in diesel engines, focusing on their impact on both emission reduction and performance characteristics. Various factors crucial to the commercial viability of W/D are assessed, including stability, viscosity, density, and calorific value. While W/D emulsions generally enhance brake thermal efficiency (BTE) and combustion efficiency, some studies report an increase in brake-specific fuel consumption (BSFC) due to the lower calorific value of the emulsion. Additionally, the use of W/D consistently leads to reductions in nitrogen oxides (NO<sub>x</sub>), and particulate matter (PM). However, reported findings vary due to differences in experimental conditions, water content, surfactant types, and emulsion stability. The phenomenon of micro-explosion, which improves atomization and combustion, is also discussed as a key factor influencing W/D performance. This review highlights the need for further research to address inconsistencies in reported results, particularly in optimizing surfactant selection for stability and performance. Future studies should also focus on long-term engine durability, real-world engine testing, and economic feasibility assessments to ensure the commercial adoption of W/D emulsions in diesel engines.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 10","pages":"1361 - 1402"},"PeriodicalIF":1.3,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145135096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic Properties of Binary Liquid Systems of Morpholine and Butylamines at Varying Temperatures Morpholine和Butylamines二元液体体系在不同温度下的热力学性质
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-08-01 DOI: 10.1007/s10953-025-01477-w
B. Srinivas, Jagadeesh Kumar Ega, S. Pulla Reddy, B. Satheesh
{"title":"Thermodynamic Properties of Binary Liquid Systems of Morpholine and Butylamines at Varying Temperatures","authors":"B. Srinivas,&nbsp;Jagadeesh Kumar Ega,&nbsp;S. Pulla Reddy,&nbsp;B. Satheesh","doi":"10.1007/s10953-025-01477-w","DOIUrl":"10.1007/s10953-025-01477-w","url":null,"abstract":"<div><p>This study measured thermophysical parameters such as density (<i>ρ</i>), speed of sound (<i>u</i>), and viscosity (<i>η</i>) for binary liquid systems containing morpholine and butylamines (mono-, di-, and tri-butylamine) at three temperatures (303.15 K, 308.15 K, and 313.15 K) under atmospheric pressure. On the basis of the experimental findings, thermodynamic properties such as excess molar volume (<span>({V}_{m}^text{E})</span>), excess molar isentropic compressibility (<span>({k}_{s,m}^text{E})</span>), and deviation in viscosity (<span>(Delta eta)</span>) were calculated. These were then fitted to a Redlich–Kister (R–K) polynomial. For all binary systems, ∆<i>η</i> is positive, whereas <span>({V}_{m}^text{E})</span> and <span>({k}_{s}^text{E})</span> are negative. The findings for the binary liquid systems under research suggest the existence of new H-bonding and packing efficiency interactions between dissimilar components. Moreover, how temperature impacts molecular interactions between molecules using thermodynamic results is discussed.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 10","pages":"1339 - 1360"},"PeriodicalIF":1.3,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145135097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Utilizing a Laser Monitoring-Based Method for Solubility and Thermodynamics Study of Isophthalic Acid in Aqueous Mixtures of 1-Propanol/2-Propanol 利用激光监测方法研究异苯二甲酸在1-丙醇/2-丙醇水溶液中的溶解度和热力学
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-07-20 DOI: 10.1007/s10953-025-01476-x
Vahid Jouyban-Gharamaleki, Salar Hemmati, Soma Khezri, Elaheh Rahimpour, Abolghasem Jouyban
{"title":"Utilizing a Laser Monitoring-Based Method for Solubility and Thermodynamics Study of Isophthalic Acid in Aqueous Mixtures of 1-Propanol/2-Propanol","authors":"Vahid Jouyban-Gharamaleki,&nbsp;Salar Hemmati,&nbsp;Soma Khezri,&nbsp;Elaheh Rahimpour,&nbsp;Abolghasem Jouyban","doi":"10.1007/s10953-025-01476-x","DOIUrl":"10.1007/s10953-025-01476-x","url":null,"abstract":"<div><p>This study investigated the solubility of isophthalic acid in binary mixtures of 1-propanol/2-propanol and water, across temperatures from 298.2 to 313.2 K. The solubility was determined using a laser-based robotic system. The resulting solubility data were analyzed through various mathematical models, including the van’t Hoff, Jouyban–Acree, Jouyban–Acree–van’t Hoff, mixture response surface, and modified Wilson models. The experimental data on isophthalic acid dissolution included several thermodynamic properties such as Δ<i>G°</i>, Δ<i>H°</i>, Δ<i>S°</i>, and <i>T</i>Δ<i>S°.</i> These properties provided important insights into the energetic aspects of the dissolution process and were calculated using the van’t Hoff equation.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 10","pages":"1323 - 1338"},"PeriodicalIF":1.3,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145135095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploration of the Impacts of Alcohols and Anionic Hydrotropes on the Phase Separation Behavior of Triton X-100 in the Presence of Indigo Carmine Dye 靛胭脂红染料存在下醇类和阴离子水对Triton X-100相分离行为影响的探讨
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-07-17 DOI: 10.1007/s10953-025-01474-z
Md. Rafikul Islam, Md. Rehan Alam, Ummey Rayhan, Md. Rezaul Karim, Javed Masood Khan, Md Abdul Goni, Md. Anamul Hoque
{"title":"Exploration of the Impacts of Alcohols and Anionic Hydrotropes on the Phase Separation Behavior of Triton X-100 in the Presence of Indigo Carmine Dye","authors":"Md. Rafikul Islam,&nbsp;Md. Rehan Alam,&nbsp;Ummey Rayhan,&nbsp;Md. Rezaul Karim,&nbsp;Javed Masood Khan,&nbsp;Md Abdul Goni,&nbsp;Md. Anamul Hoque","doi":"10.1007/s10953-025-01474-z","DOIUrl":"10.1007/s10953-025-01474-z","url":null,"abstract":"<div><p>The present study has effectively investigated and evaluated the potential impacts of alcohols and hydrotropes (HyTs) on the phase separation behavior of triton X-100 (TX-100) and indigo carmine (IC) mixture by means of classical cloud point model. Indigo carmine has broader applications in the textile, food and cosmetic industries. The combined system containing all necessary components was studied at a fixed concentration of TX-100 (92.7 mmol·kg<sup>−1</sup>), IC (0.05 mmol·kg<sup>−1</sup>), and variable concentrations of alcohols and hydrotropes. Methanol (MeOH), ethanol (EtOH), 1-propanol (1-PrOH), and 1-butanol (1-BuOH) were used as alcohols as well as sodium benzoate (NaBenz) and sodium salicylate (NaSal) were utilized as HyTs in the studied system. The results revealed that hydrophilicity behavior of TX-100 significantly affected the clouding progression of TX-100 + IC mixture, and clouding process was found to be quite sensitive in the presence of alcohols and HyTs. The TX-100 + IC mixture experienced the reduction in the CP values with rising the alcohols and HyTs contents, where the magnitudes of CP followed the order: <span>({text{CP}}_{text{Aq}.text{ NaSal}}&gt;{text{CP}}_{text{Aq}.text{ NaBenz}}&gt;{text{CP}}_{text{Aq}.text{ EtOH}}&gt;{text{CP}}_{text{Aq}. 1-text{PrOH}})</span> <span>(approx {text{CP}}_{text{Aq}.text{ MeOH}}&gt;{text{CP}}_{text{Aq}. 1-text{BuOH}})</span>. The various energy parameters were observed to be solely dependent on the concentrations of IC dye, alcohols as well as HyTs in the micellar phase. In all circumstances, free energy change (<span>({Delta G}_{c}^text{o})</span>) values were positive, stating the nonspontaneity nature of phase changes, whereas this nonspontaneity turned to the direction of spontaneous process (reduced + <span>({Delta G}_{c}^text{o})</span> values) at the higher contents of alcohols and HyTs. The positive magnitudes of both <span>({Delta H}_{c}^text{o})</span> and <span>({Delta S}_{c}^text{o})</span> refer to the presence of hydrophobic interacting forces among the respective components, while the negative <span>({Delta H}_{c}^text{o})</span> and <span>({Delta S}_{c}^text{o})</span> values appeared from the consequences of electrostatic interactions of components. Evaluation of enthalpy-entropy compensation parameters showed the good analogy to the solutions of biological and small solute molecules. The significant findings of this investigation might be highly useful and beneficial for the purpose of drug storage, new drug development, drug transport, and better pharmaceutical formulations.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 10","pages":"1295 - 1322"},"PeriodicalIF":1.3,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145135094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cosolvents Screening and Data Association for the 1-Octene Hydration Reaction System 1-辛烯水化反应体系的助溶剂筛选与数据关联
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-07-14 DOI: 10.1007/s10953-025-01472-1
Haoyang Xu, Min Cao, Mengqi Li, Mingcheng Zheng, Hui Tian
{"title":"Cosolvents Screening and Data Association for the 1-Octene Hydration Reaction System","authors":"Haoyang Xu,&nbsp;Min Cao,&nbsp;Mengqi Li,&nbsp;Mingcheng Zheng,&nbsp;Hui Tian","doi":"10.1007/s10953-025-01472-1","DOIUrl":"10.1007/s10953-025-01472-1","url":null,"abstract":"<div><p>This paper studied the thermodynamic properties of the 1-octene hydration reaction and screened cosolvents to enhance water–oil mutual solubility, thereby increasing the reaction rate. Using COSMOtherm, the solubilization effects of five cosolvents (acetonitrile, isophorone, 1,4-dioxane, methanol, and acetone) were simulated. The liquid–liquid equilibrium (LLE) of 1-octene+water+1,4-dioxane and 1-octene+water+isophorone systems was simulated at 308.15–348.15 K under 101.3 kPa, followed by experimental validation. Results showed that higher temperatures improved solubilization, confirming COSMOtherm’s accuracy. The NRTL and UNIQUAC models were used to correlate LLE experimental data, demonstrating excellent fitting for both systems. High correlation between regression and experimental results confirmed the accuracy of the data, with both models effectively describing the systems.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 9","pages":"1269 - 1294"},"PeriodicalIF":1.3,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144905223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solubilization Behavior and Density Study of 1H-1,2,4-Triazole in Aqueous Organic Solvent Mixtures at (293.15 to 313.15) K (293.15 ~ 313.15) K下1h -1,2,4-三唑在有机溶剂水溶液中的增溶行为及密度研究
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-07-12 DOI: 10.1007/s10953-025-01470-3
Sachin S. Kale, Atul S. Kale
{"title":"Solubilization Behavior and Density Study of 1H-1,2,4-Triazole in Aqueous Organic Solvent Mixtures at (293.15 to 313.15) K","authors":"Sachin S. Kale,&nbsp;Atul S. Kale","doi":"10.1007/s10953-025-01470-3","DOIUrl":"10.1007/s10953-025-01470-3","url":null,"abstract":"<div><p>Solubility of 1<i>H</i>-1,2,4-triazole in water, methanol, ethanol, <i>n</i>-propanol, and also in water + methanol/ ethanol/ <i>n</i>-propanol binary mixtures have been experimentally measured using a gravimetric method at temperatures (293.15 to 313.15) K. Solubility values were correlated with temperature by the Apelblat equation. The combined nearly ideal binary solvent (NIBS)-Redlich–Kister equation is used to fit experimental solubility data in different solvents at constant temperature. Thermodynamic functions including <span>(Delta H_{text{soln}}^text{o})</span>, <span>(Delta G_{text{soln}}^text{o})</span>, and <span>(Delta S_{text{soln}}^text{o})</span> of 1<i>H</i>-1,2,4-triazole in different solvents were obtained from the modified van’t Hoff equation. The densities of the saturated solutions were also measured using bicapillary pycknometer in pure and binary solvent mixtures at temperatures mentioned above.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 9","pages":"1182 - 1209"},"PeriodicalIF":1.3,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144905118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental and DFT Calculation Probing the Interaction of Simvastatin-β-Cyclodextrin-Ammonium Acetate Ternary Complex 辛伐他汀-β-环糊精-乙酸铵三元配合物相互作用的实验与DFT计算
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-07-10 DOI: 10.1007/s10953-025-01475-y
Hanzhu Kong, Xianhong Wen, Ming Guo
{"title":"Experimental and DFT Calculation Probing the Interaction of Simvastatin-β-Cyclodextrin-Ammonium Acetate Ternary Complex","authors":"Hanzhu Kong,&nbsp;Xianhong Wen,&nbsp;Ming Guo","doi":"10.1007/s10953-025-01475-y","DOIUrl":"10.1007/s10953-025-01475-y","url":null,"abstract":"<div><p>Simvastatin(Sim) is widely used for the prevention of cardiovascular disease and cancer treatment, but its solubility and bioavailability are poor. Therefore, the selection of β-cyclodextrin and ammonium acetate was explored to prepare ternary Sim inclusion complexes by freeze-drying method, the formation of ternary complex was confirmed by Electrospray ionization mass spectrometry (ESI-MS), Fourier transform infrared spectroscopy (FT-IR), Differential scanning calorimetry (DSC), Scanning electron microscope (SEM), and X-ray diffraction (XRD) method. Compared to its solubility in pure water, the solubility of Sim in ternary complexes has increased by 46 times. The stable structure of complex was explored through 1H Nuclear magnetic resonance spectroscopy (NMR) and Density functional theory (DFT) calculation, Natural Bond Orbital (NBO) analysis revealed the interaction mechanism, where charge transfer and hydrogen bonding networks in the complex led to the locking of the Sim lactone ring within the narrower ring of β-CD, the NH<sub>4</sub>Ac component leads to more hydrogen bond formation and enhances stability of drug. The proposed approach is a innovative systems for improving the solubility and stability of Simvastatin.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"54 9","pages":"1252 - 1268"},"PeriodicalIF":1.3,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144905008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigating the Electrochemical Properties of Ionic-Liquid-Mediated Inorganic Eutectogels Derived from Carboxylic-Acid-Based Hydrophobic Natural Deep Eutectic Solvents 羧酸基疏水天然深共晶溶剂制备的离子液体介导无机共晶凝胶的电化学性能研究
IF 1.3 4区 化学
Journal of Solution Chemistry Pub Date : 2025-07-10 DOI: 10.1007/s10953-025-01471-2
Arindam Dutta, Debashis Kundu, Surbhi Sharma, Debbie S. Silvester, Tamal Banerjee
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