Journal of Solution Chemistry最新文献

{"title":"Ketoconazole Solubility in Ethyl Acetate + Ethanol Mixtures at T = (298.2 to 323.2) K: Experimental Measurement, Thermodynamic Analysis, and Mathematical Modeling","authors":"Forough Dorostkar,&nbsp;Sonia Abbasloo,&nbsp;Seyyed Mohammad Hassan Hashemi,&nbsp;Fleming Martinez,&nbsp;Sepideh Ketabi,&nbsp;Esmaeil Mohammadian","doi":"10.1007/s10953-026-01605-0","DOIUrl":"10.1007/s10953-026-01605-0","url":null,"abstract":"<div><p>This study investigated the solubility of ketoconazole in binary mixtures of ethyl acetate and ethanol within the temperature range of 298.2–323.2 K using the shake-flask method and spectrophotometry at 246 nm. Solubility was determined at six temperatures and across solvent mass fractions (0.0–1.0). The highest solubility, 0.941 (± 0.009) mol·L⁻¹, occurred at 323.2 K with an ethyl acetate mass fraction of 0.6, while the lowest, 0.147 (± 0.003) mol·L⁻¹, was observed in pure ethanol at 298.2 K. Results confirmed that both temperature rise and ethyl acetate enrichment enhanced solubility. For instance, at a 0.6 mass fraction of ethyl acetate, solubility increased from 0.633 (± 0.011) mol·L⁻¹ at 298.2 K to 0.941 (± 0.009) mol·L⁻¹ at 323.2 K, demonstrating the synergistic influence of temperature and solvent composition. Thermodynamic analysis revealed positive enthalpy values (12.60 (± 0.30)–27.55 (± 1.08) kJ·mol⁻¹), indicating an endothermic dissolution. Gibbs free energy values (Δ<i>G°</i>) were positive across all conditions, suggesting non-spontaneity, while entropy ranged from 0.039 (± 0.001) to 0.077 (± 0.003) kJ·mol⁻¹·K⁻¹, reflecting increased disorder. Ethyl acetate-rich environments showed comparatively more favorable dissolution behavior. Mathematical modeling demonstrated that the Buchowski–Ksiazczak (<i>λh</i>) and van’t Hoff models provided the highest accuracy with <i>MRDs%</i> of 1.3% and 1.5%, respectively. The CNIBS/R–K model (7.2%) and Jouyban–Acree models (7.8%) showed acceptable performance, whereas the modified Wilson and Yalkowsky equation model was least accurate (20.8% and 32.54%, respectively). Overall, ethyl acetate significantly enhanced ketoconazole solubility, and reliable predictive models were identified. These findings highlight cosolvency as an effective approach for improving poorly soluble drugs, supporting pharmaceutical formulation design and drug delivery optimization.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1971 - 2011"},"PeriodicalIF":1.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661993","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}

{"title":"Solubility Determination of p-Chloronitrobenzene in Thirteen Solvents, Equation Correlation, Thermodynamic Analysis, Molecular Simulations","authors":"Xingchuan Yang,&nbsp;Lei Fan,&nbsp;Kangfei Lu,&nbsp;Hui Xiao,&nbsp;Zhuwen Liu,&nbsp;Guangwen Li,&nbsp;Yi Yu,&nbsp;Li Xu,&nbsp;Longfei Yang","doi":"10.1007/s10953-026-01622-z","DOIUrl":"10.1007/s10953-026-01622-z","url":null,"abstract":"<div><p>The solubility of p-chloronitrobenzene (p-CNB) in thirteen organic solvents was determined in accordance with the static equilibrium method over the temperature range from 278.15 K to 313.15 K at 1 atm. Experimental results demonstrated a positive correlation between temperature and the solubility data in all tested solvent systems. The experimental data were fitted and analyzed using 6 widely employed equations (van't Hoff, Apelblat, Yaws, <i>λh</i> and Wilson and NRTL), and the results indicated that Yaws equation is more suitable for correlating the solubility data. Subsequently, the van't Hoff equation was applied to calculate the apparent thermodynamic properties of the dissolution process, revealing that the dissolution of p-CNB is an enthalpy-driven, non-spontaneous and endothermic process. Materials Studio was utilized to optimize structures of both solute and solvent molecules, followed by mapping the electrostatic potential on the solute molecular surface to investigate the solvation behavior of p-CNB in the tested solvents. Additionally, the solute–solvent interaction energies were calculated, confirming that intermolecular interaction energy is a crucial factor influencing solubility. Finally, radial distribution functions (RDFs) of four representative straight-chain alcohol solvents were calculated, verifying a positive correlation between solute–solvent hydrogen-bond strength and solubility. This study provides valuable data support for the crystallization separation and purification of p-CNB.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1949 - 1970"},"PeriodicalIF":1.3,"publicationDate":"2026-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661997","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}

{"title":"Poly-β-Cyclodextrin as a Superior Host for Gemcitabine: Comparative Supramolecular Characterization and Anticancer Evaluation","authors":"Manickam Sathya,&nbsp;Archana Sumohan Pillai,&nbsp;Varnitha Manikantan,&nbsp;Sengodan Amudha,&nbsp;Ujma Ashapak Tamboli,&nbsp;Ramaraj Rajesh Kumar,&nbsp;Aleyamma Alexander,&nbsp;Israel V. M. V. Enoch","doi":"10.1007/s10953-026-01610-3","DOIUrl":"10.1007/s10953-026-01610-3","url":null,"abstract":"<div><p>Gemcitabine remains a vital chemotherapeutic agent, yet its rapid deamination and short systemic persistence necessitate improved delivery strategies. This study examines the interaction of GB with α-cyclodextrin (α-CD), β-cyclodextrin (β-CD), hydroxypropyl-β-cyclodextrin (HP-β-CD), and poly-β-cyclodextrin (poly-β-CD) using UV–Vis spectroscopy, fluorescence titrations, and multidimensional NMR. While α-CD shows only weak surface-level association, β-CD, HP-β-CD, and poly-β-CD form clear inclusion complexes, indicated by hyperchromic shifts, fluorescence enhancement, and ROESY cross peaks confirming the proximity of gemcitabine’s aromatic and sugar protons to the CD cavity. Among these systems, β-CD exhibits the strongest affinity, with a binding constant on the order of 10⁵ L·mol⁻¹, reflecting its optimal cavity fit for GB. The biological relevance of these interactions was assessed using MCF-7 breast cancer cells. Although free gemcitabine shows the highest potency, the CD-based formulations retain significant activity while offering a moderated release profile. Notably, the poly-β-CD complex demonstrates improved cytotoxic performance among the CD carriers, with its IC₅₀ positioned near 11 μg·mL⁻¹, suggesting more efficient drug presentation compared to other complexes. Together, these findings highlight how subtle differences in cyclodextrin structure influence gemcitabine encapsulation, stability, and cellular response, positioning poly-β-CD as a promising platform for improved GB delivery.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1929 - 1948"},"PeriodicalIF":1.3,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661996","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}

{"title":"Comments on “Determination and Correlation of Solubility of 1,2‑Difluoro‑4,5‑dinitrobenzene in Methanol + Water Mixed Solvent”","authors":"Nitya Damera,&nbsp;Brooklyn Julson,&nbsp;William E. Acree Jr.","doi":"10.1007/s10953-026-01614-z","DOIUrl":"10.1007/s10953-026-01614-z","url":null,"abstract":"<div><p>A polemic is given regarding the reported curve-fit equation coefficients for the van’t Hoff, Apelblat and Yaws models used to describe the variation in mole fraction solubility of 1,2-difluoro-4,5-dinitrobenzene in binary aqueous-methanol solvent mixtures. The published equation coefficients were found to give back-calculated values that were 1,000 times larger than the observed mole fraction solubilities.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1924 - 1928"},"PeriodicalIF":1.3,"publicationDate":"2026-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661992","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}

{"title":"Commentary on the ‘‘Determination and Correlation of the Solubility of Ammonium Sulfate in Aqueous Solutions of Caprolactam with Different Concentrations”","authors":"Jili Zheng,&nbsp;Aoxiang Xu,&nbsp;Xianhe Deng,&nbsp;Yajun Li,&nbsp;Jun Zhu,&nbsp;Kui Wu","doi":"10.1007/s10953-026-01616-x","DOIUrl":"10.1007/s10953-026-01616-x","url":null,"abstract":"<div><p>Errors have been identified in the published equation coefficients reported by Zhang et al. [J Solution Chem (2025). https://doi.org/10.1007/s10953-025-01525-5], which were originally employed to mathematically characterize the solubility of ammonium sulfate in aqueous solutions of caprolactam via three distinct thermodynamic models, i.e. the modified Apelblat equation, the <i>λ</i>h equation and the Van’t Hoff-Yaws model. Notably, the values calculated using these published coefficients for the models do not correspond to the mole fraction solubility values as claimed in the aforementioned study.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2018 - 2022"},"PeriodicalIF":1.3,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927983","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}

{"title":"Giant Polyoxometalates in Albumin Solutions: Particle Size, Zeta Potential and Cells Response","authors":"Margarita O. Tonkushina,&nbsp;Ilya D. Gagarin,&nbsp;Tatiana V. Terziyan,&nbsp;Maria V. Ulitko,&nbsp;Svetlana A. Titova,&nbsp;Barah T. M. A. Sharadgah,&nbsp;Alexey Ya. Golub,&nbsp;Alexander A. Ostroushko","doi":"10.1007/s10953-026-01596-y","DOIUrl":"10.1007/s10953-026-01596-y","url":null,"abstract":"<div><p>Giant polyoxometalates (POMs) are of great interest across multiple research fields. In particular, they can serve as a structuring agents for the design of protein-based nanoparticles. Albumin is actively studied as a component of nanoformulation for drug delivery and “theranostics”. In the present study, we presumed the positively charged pockets on the albumin’s molecule surface as binding sites for {Mo₁₃₂} and {Mo₇₂Fe₃₀} POMs anions. The impact of the POM/albumin ratio in aqueous solutions on the particle size and zeta potential was investigated. Polyoxometalates demonstrated a more pronounced concentration-dependent variation in particle size with a narrower distribution compared to the decomposition products, which were employed as a reference to illustrate the significance of a nanosized structure. Albumin solutions containing {Mo₁₃₂} demonstrated enhanced colloidal stability and a higher proportion of small particles (less than 20 nm) in comparison to the {Mo₇₂Fe₃₀} containing solutions. The addition of {Mo₁₃₂} to the albumin solution enables the achievement of a negative zeta potential for particles as low as –21 mV. We demonstrated, that tumor cells are more susceptible to the influence of {Mo₇₂Fe₃₀}-albumin composition than normal cells.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1903 - 1923"},"PeriodicalIF":1.3,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661954","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}

{"title":"Crystallization Thermodynamics of 2,2’,4,4’,6,6’-hexanitrostilbene in Nitric Acid + Water Binary Mixed Solvent","authors":"Bo Wang,&nbsp;Jian-xun Chen,&nbsp;Yun-tao Xiong,&nbsp;Jun Chen,&nbsp;Hong-xia Pan,&nbsp;Li-zhen Chen,&nbsp;Jian-long Wang","doi":"10.1007/s10953-026-01607-y","DOIUrl":"10.1007/s10953-026-01607-y","url":null,"abstract":"<div><p>The needle-like morphology of current 2,2’,4,4’,6,6’-hexanitrostilbene crystals limits their practical application due to low bulk density and poor flowability. Cooling recrystallization from nitric acid–water mixtures could improve crystal habit, but solubility data in this strongly oxidizing medium are lacking. Here, the solubility of 2,2’,4,4’,6,6’-hexanitrostilbene in binary nitric acid–water mixtures was measured from 298.15 K to 338.15 K using the laser dynamic method. Solubility increases with both temperature and acid concentration. Five thermodynamic models (modified Apelblat, van’t Hoff, Yaws, CNIBS/R‑K, and <i>λh</i> equation) were applied, all giving good fits. van’t Hoff analysis indicates endothermic, entropy‑driven dissolution. Using the solubility data, cooling recrystallization successfully produced 2,2’,4,4’,6,6’-hexanitrostilbene crystals with significantly improved short‑rod or block‑like morphologies. This work fills a critical solubility data gap and demonstrates integrated solubility–modeling–morphology control in a strongly oxidizing solvent system.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1887 - 1902"},"PeriodicalIF":1.3,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661991","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}

{"title":"Comments on “Thermodynamic Properties of Binary Liquid Mixtures of Benzyl Acetate and Aromatic Isomers (iso-Butylbenzene, sec‑Butylbenzene, tert‑Butylbenzene) at T = (293.15—313.15) K”","authors":"Yuuki Uemura,&nbsp;Anika Varadharajan,&nbsp;William E. Acree Jr.","doi":"10.1007/s10953-026-01601-4","DOIUrl":"10.1007/s10953-026-01601-4","url":null,"abstract":"<div><p>A polemic is given regarding the volumetric properties that Panem and coworkers reported in their published paper. For two of the three binary systems studied, the authors’ calculated numerical values of the excess molar volumes, <span>(V_{m}^text{E})</span> , were found to be inconsistent with the measured density data reported in the paper. The observations provided in the commentary raise concerns regarding the quality of the published density data.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1834 - 1839"},"PeriodicalIF":1.3,"publicationDate":"2026-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662002","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}

{"title":"Experimental and Theoretical Studies of Binary Liquid Systems Containing Benzylamine with Isomeric Pentanol at Varying Temperatures","authors":"Acha Swapna,&nbsp;Balakrishna Matkala,&nbsp;S. Pulla Reddy,&nbsp;Jagadeesh Kumar Ega,&nbsp;Ganesh Babu Bathula,&nbsp;A. Samba Shiva Rao,&nbsp;V. Geeta,&nbsp;Bolloju Satheesh","doi":"10.1007/s10953-026-01597-x","DOIUrl":"10.1007/s10953-026-01597-x","url":null,"abstract":"<div><p>The density and speed of sound of binary liquid mixtures of benzyl amine and isomeric pentanol (2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol), covering the entire composition of benzyl amine, were measured at temperatures <i>T</i> = (298.15 K to 313.15) K with 5 K intervals and at atmospheric pressure. Schaff's collision factor theory and Jacobson's free length theory were compared to the measured speed of sound. Using measured data, thermodynamic properties such as excess molar volume, apparent molar volume, partial molar volumes, excess partial molar volumes, isentropic compressibility, and excess molar isentropic compressibility were was calculated. The observed excess molar volume and excess molar isentropic compressibility data were compared to theoretical data obtained using the Redlich–Kister equation. Also, the observed excess molar volume results were compared to those obtained through the Prigogine–Flory–Patterson theory. Using thermodynamic data, predict the formation of intermolecular interactions between benzyl amine and isomeric pentanol. The ¹H-NMR spectroscopy tests were performed to provide additional evidence for the existence of an intermolecular (H-bonding) interaction between benzyl amine and isomeric pentanol.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1840 - 1867"},"PeriodicalIF":1.3,"publicationDate":"2026-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661987","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}

{"title":"Investigation of Molecular Interactions Through Thermodynamic Properties of Binary Liquid Mixtures of Benzyl Amine and Trialkylamine at Varying Temperatures","authors":"Acha Swapna,&nbsp;Gavinolla Pranitha,&nbsp;Srinivasa Reddy Bireddy,&nbsp;Lavanya Rumandla,&nbsp;Jagadeesh Kumar Ega,&nbsp;Balakrishna Matkala,&nbsp;Bolloju Satheesh","doi":"10.1007/s10953-026-01604-1","DOIUrl":"10.1007/s10953-026-01604-1","url":null,"abstract":"<div><p>This study investigates the molecular interactions in binary mixtures of benzylamine with three trialkylamines (triethylamine, tripropylamine, and tributylamine) over the temperature range 298.15–308.15 K at 5 K intervals under atmospheric pressure. Thermodynamic properties such as excess molar volume and excess molar isentropic compressibility were calculated using experimental data on density and speed of sound. These parameters were analyzed to assess studied liquid systems deviations from ideal liquid system behavior and to determine the formation of molecular interactions in benzylamine and trialkylamine liquid systems. The observed data were correlated using the Redlich–Kister and Jouyban–Acree models. Excess molar volume and excess molar isentropic compressibility showed negative deviations from ideality, indicating that benzylamines and trialkylamines have strong associative interactions via hydrogen bonding and efficient molecular packing. Using thermodynamic results, we explain the effect of temperature on molecular interactions.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 8","pages":"1868 - 1886"},"PeriodicalIF":1.3,"publicationDate":"2026-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148661990","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}