Journal of Solution Chemistry最新文献

{"title":"Beryllium Chemical Speciation and its Impact on Biological Toxicity and Chronic Beryllium Disease (CBD)","authors":"Vito Lubes,&nbsp;Mary Lorena Araujo,&nbsp;Edgar Del Carpio,&nbsp;Lino Antonio Hernández Mazzocchin","doi":"10.1007/s10953-026-01650-9","DOIUrl":"10.1007/s10953-026-01650-9","url":null,"abstract":"<div><p>Beryllium (Be²⁺) is a highly toxic metal ion, exposure to which can lead to Chronic Beryllium Disease (CBD), a debilitating inflammatory lung disorder. The toxicity of beryllium is fundamentally rooted in its unique coordination chemistry in aqueous solutions. This review provides a comprehensive analysis of beryllium aqueous chemistry and its speciation in binary systems with biologically relevant ligands (amino acids and dicarboxylates), detailing how these chemical properties dictate the metal's bioavailability. Chemically, the high charge density of Be²⁺ drives aggressive hydrolysis, leading to stable polynuclear species such as Be₃(OH)₃³⁺ at physiological <i>pH</i>. Be²⁺ exhibits a strong preference for tetrahedral coordination with \"hard\" oxygen donors. Speciation studies highlight that complexes forming six-membered chelate rings (e.g., malonate) exhibit higher stability than five-membered rings (e.g., oxalate) due to lower angular strain and better fit with the ion's natural geometry. Biologically, CBD is driven by beryllium-specific CD4⁺ T lymphocytes, where Be²⁺ acts as a neoantigen by inserting into the HLA-DP2/peptide complex. Furthermore, beryllium acts as a potent enzyme inhibitor by displacing essential Mg²⁺ or Zn²⁺ ions from active sites. In conclusion, a detailed understanding of beryllium speciation and coordination equilibria is essential for elucidating its in vivo behavior and forms the basis for the rational design of selective chelating agents to develop effective therapeutic strategies against CBD.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2691 - 2708"},"PeriodicalIF":1.3,"publicationDate":"2026-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222722","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":"Determination on the Solid–Liquid Equilibrium of Hexachloroethane in Six Pure Solvents","authors":"Maolei Deng,&nbsp;Qi Wang,&nbsp;Zhengliang Wang,&nbsp;Yanyan Chen,&nbsp;Xunqiu Wang","doi":"10.1007/s10953-026-01649-2","DOIUrl":"10.1007/s10953-026-01649-2","url":null,"abstract":"<div><p>Hexachloroethane is a significant compound with extensive applications in chemical engineering, materials science, biology and many other fields. The optimization of its separation, purification, and crystallization processes requires reliable solubility data and relevant thermodynamic properties. However, research on the solubility of hexachloroethane in organic solvents is scarce in existing literature. Therefore, in this determination, the solubility of hexachloroethane in six pure solvents (anhydrous ethanol, isopropyl alcohol, ethyl acetate, methyl isobutyl ketone, isopentanol, and butyl acetate) was quantified at 1 atm over a temperature range of 278.15 K to 313.15 K using the laser dynamic method. The results indicate that within the studied temperature range, the solubility of hexachloroethane in the selected solvents increases with rising temperature. Furthermore, Hansen solubility parameters (HSP) were employed to explain the dissolution behavior of hexachloroethane. The experimental data were correlated using four thermodynamic models: the modified Apelblat equation, Van’t Hoff equation, Buchowski-Książczak equation, and Non-Random Two-Liquid model (NRTL model). The study demonstrated that the NRTL model provides the best fitting effect. The thermodynamic properties of hexachloroethane dissolution in the selected solvents were calculated and discussed by using the Van’t Hoff equation, and the thermodynamic properties of the solution (Δ_sol<i>H</i>, Δ_sol<i>S</i> and Δ_sol<i>G</i>) were all positive, indicating that the dissolution process is endothermic and has a favorable entropic contribution. This work supplements the systematic solubility data and basic thermodynamic characteristics of hexachloroethane in common organic solvents, and provides solubility data and fundamental thermodynamic information for the crystallization and separation of hexachloroethane.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2669 - 2690"},"PeriodicalIF":1.3,"publicationDate":"2026-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222693","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":"Solvent Polarity-Mild Modulation of Excited-State Intramolecular Proton Transfer in S–H Donor-Bearing H-NTF Fluorophore: A Systematic Theoretical Elucidation","authors":"Xiaoyu Zhang,&nbsp;Nannan Yang,&nbsp;Yujian Zhang,&nbsp;Hengyi Yuan","doi":"10.1007/s10953-026-01638-5","DOIUrl":"10.1007/s10953-026-01638-5","url":null,"abstract":"<div><p>Sulfur–hydrogen (S–H)-based excited-state intramolecular proton transfer (ESIPT) is far less explored than the well-studied O–H/N–H systems. Herein, DFT/TD-DFT calculations were used to investigate the ESIPT behavior of 7-(diethylamino)-3-mercapto-2-phenyl-4H-chromen-4-one (H-NTF) fluorophore with an intramolecular S–H···O hydrogen bond in cyclohexane, toluene, THF and acetonitrile solvents. The electron localization function (ELF), core-valence bifurcation (CVB) index, bond critical point (BCP) and charge density difference (CDD) analyses were employed to characterize its geometric, hydrogen bond, electron density, infrared (IR) vibrational and photophysical properties in S₀/S₁ states. Solvent polarity weakly regulates S–H···O bonds. It weakens the S₀-state bond and slightly mitigates the photoinduced strengthening of the S₁-state bond. Photoexcitation drives charge redistribution from the S–H donor to the carbonyl oxygen acceptor, the intrinsic impetus for ESIPT. The barrier to the ESIPT reaction for H-NTF rises slightly with polarity (0.318–0.528 kcal/mol) but stays ultralow, enabling ultrafast proton transfer. Solvent polarity also red-shifts the S₀ → S₁ absorption band (321–327 nm) with well-retained oscillator strength, giving H-NTF excellent solvent-responsive optical properties. This work clarifies solvent-polarity-modulation mechanism for ESIPT behavior of H-NTF, highlights the unique merits of underdeveloped S–H ESIPT fluorophores, and provides a theoretical basis for designing S-containing ESIPT materials for optoelectronic and sensing applications.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2653 - 2668"},"PeriodicalIF":1.3,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222643","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":"Physicochemical and Spectroscopic Study of Molecular Interactions in 3-Amino-1-propanol + 1, 2-Ethanediol, 1, 3-Propanediol and 1, 4-Butanediol Binary Systems at Different Temperatures: Experimental and Theoretical Approach","authors":"Anil Kumar Nain,&nbsp; Gaurav,&nbsp;Dhruv Singhal","doi":"10.1007/s10953-026-01637-6","DOIUrl":"10.1007/s10953-026-01637-6","url":null,"abstract":"<div><p>Physicochemical properties and FTIR spectra of 3-amino-1-propanol + alkanediol mixtures are studied to explore the intermolecular interactions prevailing therein. The measurements of densities and speeds of sound of 3-amino-1-propanol + 1, 2-ethanediol, + 1, 3-propanediol and + 1, 4-butanediol binary mixtures have been carried out across the entire range of composition at temperatures, <i>T</i> (K) = (293.15–323.15) and pressure, <i>p</i> = 100 kPa. The composition and temperature dependence of experimental data were analysed using the Jouyban–Acree model. The excess properties, viz., excess molar volume, excess isentropic compressibility, excess intermolecular free length, excess molar isentropic compressibility, excess speed of sound and excess acoustic impedance, were calculated from the experimental data. The partial molar volume/compressibility and excess partial molar volume/compressibility of the components over entire composition range and at infinite dilution were also calculated. These parameters were interpreted in terms of intermolecular interactions prevailing in these systems. Also, the speeds of sound were estimated theoretically using various theories/relations, and the results were equated to experimental data. Furthermore, the FT-IR spectra of pure 3-amino-1-propanol, pure alkanediol and near equimolar 3-amino-1-propanol + alkanediol mixture were also examined to authenticate the existing intermolecular interactions.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2607 - 2652"},"PeriodicalIF":1.3,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222642","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 of 6-(Phenylthiocarbamido)Aminoindole in Binary Solvent Systems of Ethyl Alcohol and Water Using Ultrasonic Technique","authors":"B. M. Thete,&nbsp;G. G. Muley,&nbsp;A. B. Naik","doi":"10.1007/s10953-026-01652-7","DOIUrl":"10.1007/s10953-026-01652-7","url":null,"abstract":"<div><p>The experimental densities and ultrasonic velocities of 6-phenylthiocarbamidoaminoindole with ethanol-doubledistilled water mixture have been measured over the full range of compositions at different temperatures (303.15 K, 308.15 K, 313.15 K, 318.15 K, and 323.15 K). From these experimental data, key acoustical parameters such as adiabatic compressibility (<i>β</i>), intermolecular free length (<i>L</i>_f), acoustic impedance (<i>z</i>), relative association (<i>R</i>_A) were computed. The results reveal strong evidence of solute–solvent molecular interactions, including hydrogen bonding and dipole–dipole interactions. These findings provide valuable insights into the structural behavior and interaction mechanisms in heterocyclic binary and ternary systems.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2594 - 2606"},"PeriodicalIF":1.3,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222695","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":"Molecular Interaction Studies of Captopril in Aqueous Dextrose and Dextrose-Saline: Insights from Physicochemical, Spectroscopic, and Computational Approaches","authors":"Sunaina Sharma,&nbsp;Parveen Kumar,&nbsp;Inesh Kumar,&nbsp;Sunil Kumar","doi":"10.1007/s10953-026-01641-w","DOIUrl":"10.1007/s10953-026-01641-w","url":null,"abstract":"<div><p>In the present work, antihypertensive drug captopril is examined in aqueous dextrose and dextrose-saline systems across a range of concentrations (0.001–0.010) mol·kg⁻¹ at different temperatures (300.15–315.15) K to explore the nature and strength of intermolecular interactions. The main objective of this work is to elucidate the mechanisms of solute–solvent and solute–solute interactions that may influence the therapeutic efficacy and pharmacokinetic behavior of intravenous formulations of captopril. A series of physicochemical studies was employed using experimentally determined parameters: density (<i>ρ</i>), ultrasonic velocity (<i>u</i>), specific conductance (<i>κ</i>), and viscosity (<i>η</i>) to gain knowledge about the nature of these molecular interactions, and were systematically interpreted to reveal the interactional profiles and structural changes in the solution. Moreover, the results derived from UV–visible and FTIR spectral studies were also consistent with the findings of physicochemical investigations. The potential oxidative and reductive behavior of captopril in dextrose and dextrose-saline systems is highlighted through the cyclic voltammetry studies, and the DFT studies further support their thermophysical outcomes. The physicochemical behavior of captopril in aqueous dextrose and dextrose-saline systems will be useful in drug compatibility and formulation design.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2567 - 2593"},"PeriodicalIF":1.3,"publicationDate":"2026-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222694","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":"Uncovering the Effect of Solvents on Solid–Liquid Phase Equilibrium of Diclofenac","authors":"Xinhui Song,&nbsp;Ying Yang,&nbsp;Jiaxin Wang,&nbsp;Hongmei Zhang,&nbsp;Minna Liu,&nbsp;Mingdong Zhou,&nbsp;Yu Liu","doi":"10.1007/s10953-026-01643-8","DOIUrl":"10.1007/s10953-026-01643-8","url":null,"abstract":"<div><p>The gravimetric method was employed to determine the solubility of diclofenac (DIC) in twelve organic solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, isobutanol, acetonitrile, ethyl acetate, isopropyl acetate, toluene, n-hexane, cyclohexane) from 288.15 to 328.15 K. In every solvent examined, the measurements demonstrated that the solubility increased with rising temperature. According to Hirshfeld surface analysis, H⋯H and C⋯H contacts are the predominant contributors to the crystal lattice. In addition, the solubility data were fitted to the Apelblat model, λh model, van’t Hoff model, and Pakkhesal model. The average relative deviation is 2.05% with the Apelblat model, indicating it possesses superior capability relative to the alternative models. The impact of solute–solvent interaction energies on DIC solubility was analyzed by simulation. Furthermore, analysis of solvent property effects on solubility indicates that hydrogen bond acceptor propensity is the primary factor governing solubility behavior.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2549 - 2566"},"PeriodicalIF":1.3,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222724","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":"Thiophene Separation from N-Paraffin Compounds Using Three Methylimidazolium Hexafluorophosphate-Based Ionic Solvents","authors":"Abubaker A. Mohammad,&nbsp;Abdullah Aljasmi,&nbsp;Adel S. Al-Jimaz,&nbsp;Khaled H. A. E. Alkhaldi,&nbsp;Mohammad S. AlTuwaim","doi":"10.1007/s10953-026-01642-9","DOIUrl":"10.1007/s10953-026-01642-9","url":null,"abstract":"<div><p>This work presents new Liquid–Liquid Equilibrium (LLE) data for the extraction of thiophene from long-chain <i>n</i>-paraffins (<i>n</i>-dodecane, <i>n</i>-tetradecane, and <i>n</i>-hexadecane) using a homologous series of ionic liquids (IL), namely 1-pentyl-3-methylimidazolium hexafluorophosphate [C₅mim][PF₆], 1-hexyl-3-methylimidazolium hexafluorophosphate [C₆mim][PF₆], and 1-heptyl-3-methylimidazolium hexafluorophosphate [C₇mim][PF₆], at 313.15 K and atmospheric pressure. The study addresses the lack of systematic thermodynamic equilibrium data for intermediate alkyl chain lengths and provides insights into structure–property relationships governing the extractive desulfurization process. Experimental tie-line compositions were determined, and distribution coefficient (<span>(K)</span>) and selectivity (<span>(S)</span>) values were evaluated to assess extraction performance. The results indicate strong preferential partitioning of thiophene into the IL phase, where the extraction performance dependent on both the paraffin chain length and the IL structure. Distribution coefficients increase with increasing paraffin molecular weight, reflecting reduced hydrocarbon solubility in the IL phase, while the decrease in the distribution coefficient with increasing thiophene concentration is attributed to saturation of specific solute–solvent interactions (<i>K</i>=3.03–4.87, <i>S</i>=548–946). Among the investigated ILs, [C₅mim][PF₆] exhibited superior extraction performance, attributed to an optimal balance between polarity, viscosity, and molecular interaction strength. The experimental data were successfully correlated using the non-random two-liquid (NRTL) model, yielding an average root-mean-squared-deviation (<i>RMSD</i>) of 0.136. The stability of the ILs was ensured under controlled low-moisture conditions, minimizing hydrolysis of the [PF₆]⁻ anion. The generated dataset provides valuable thermodynamic information for the design of ionic liquid-based separation processes and contributes to a deeper understanding of the role of IL structure in extractive desulfurization.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2524 - 2548"},"PeriodicalIF":1.3,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222696","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":"Acid–Base Properties of Monomethylgermanium(IV) in Aqueous Solutions","authors":"Marc Biver,&nbsp;Lucas Vachey,&nbsp;Marie-José Penouilh,&nbsp;Michel Meyer,&nbsp;Montserrat Filella","doi":"10.1007/s10953-026-01640-x","DOIUrl":"10.1007/s10953-026-01640-x","url":null,"abstract":"<div><p>Monomethylgermanium (MMGe), the dominant organogermanium species in aquatic systems, exists predominantly as the neutral mononuclear species (CH₃)Ge(OH)₃ under environmentally relevant conditions. MMGe displays conservative behavior in freshwater and marine environments, an observation consistent with high chemical stability, yet its fundamental acid–base properties remain poorly characterized. To address this gap, we investigated the protolytic properties of (CH₃)Ge(OH)₃ at 298.2(2) K across a range of ionic strengths (0.1–1.0 mol·L⁻¹) and five supporting electrolytes (LiCl, NaCl, KCl, CsCl, TMACl) by glass-electrode potentiometry. The first deprotonation constant (p<i>K</i>_a = –log <i>K</i>₁) of (CH₃)Ge(OH)₃ was consistently determined across experimental conditions with values ranging from 11.07(4) to 11.22(3), except in 1 mol·L⁻¹ TMACl, where an anomalously high value (11.62(5)) was attributed to specific ion effects. ¹H and ¹³C NMR titrations in 1 mol·L⁻¹ KCl confirmed a single protonation equilibrium with p<i>K</i>_a = 11.22(1), in excellent agreement with the potentiometric results. No evidence was found for the formation of a doubly deprotonated species under the investigated p[H] range (&lt; 13). These findings contribute fundamental thermodynamic data for MMGe and enhance our understanding of its chemical behavior in natural waters.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2510 - 2523"},"PeriodicalIF":1.3,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10953-026-01640-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insights into the Thermophysical Properties of Ammonium-Based Solutions of Ionic Liquids via Viscosity, Diffusion Coefficient and Gibbs Free Energy","authors":"Kiran Sharma,&nbsp;Tarun Kumar Dhiman,&nbsp;Ashish Kumar Sharma","doi":"10.1007/s10953-026-01632-x","DOIUrl":"10.1007/s10953-026-01632-x","url":null,"abstract":"<div><p>Ionic liquids (ILs) possess unique properties like less volatile; polarity can be tuned and are thus being used as solvents as well as catalysts; therefore, ILs are extensively used in technological advancement. Viscosity is an important parameter or property to be considered during any scale-up applications of ionic liquid. In the present work, the theoretical approaches employed on behalf of liquids have been drawn out to calculate the viscosity, diffusion coefficient, and Gibbs free energy of six binary ammonium-based ILs mixtures in water at 25 °C under atmospheric pressure. A fairly good agreement has been observed between the theoretical results and the experimental values. The current work aims to provide a reliable theoretical model that can estimate the viscosity, self-diffusion coefficient and Gibbs free energy of ionic liquids.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 10","pages":"2480 - 2509"},"PeriodicalIF":1.3,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222792","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}