Vandana S. Shende, Mahesh B, Vandana Patel, Ratiram G. Chaudhary and Sangesh P. Zodape*,
{"title":"盐酸萘唑啉在水溶液和l-缬氨酸水溶液中的热力学和可压缩性研究:分子相互作用和溶剂化行为的见解","authors":"Vandana S. Shende, Mahesh B, Vandana Patel, Ratiram G. Chaudhary and Sangesh P. Zodape*, ","doi":"10.1021/acs.jced.5c00200","DOIUrl":null,"url":null,"abstract":"<p >The molecular interactions and solvation behavior of naphazoline hydrochloride (NPH) in aqueous, 0.025 mol·kg<sup>–1</sup> aqueous <span>l</span>-valine, and 0.05 mol·kg<sup>–1</sup> aqueous <span>l</span>-valine solutions were investigated using density and speed of sound measurements within a concentration range of 0.02–0.15 mol·kg<sup>–1</sup> at different temperatures (<i>T</i> = 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15 K) and atmospheric pressure. The derived parameters, namely, the apparent molar volume of the solute, apparent molar compressibility of the solute, isentropic compressibility of the solution, limiting apparent molar volume of the solute, limiting apparent molar compressibility of the solute, thermal expansion coefficient of the solute, apparent molar expansivity of the solute at infinite dilution, and transfer properties of the solute were calculated by using density and speed of sound data. These parameters provide insights into solute–solute and solute–solvent interactions. The results indicated strong hydrogen bonding and ion–dipole interactions between NPH and water, while the presence of <span>l</span>-valine modulated these interactions by altering the hydration shell and compressibility of the systems. The observed derived parameter trends suggested enhanced structuring effects in aqueous solutions, which were further influenced by the zwitterionic nature of <span>l</span>-valine. To further understand these interactions, UV–visible spectroscopic analysis was conducted. These findings provide valuable insights into the physicochemical properties of NPH in biologically relevant environments, with potential implications for drug formulation, stability, and bioavailability in pharmaceutical applications.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3123–3139"},"PeriodicalIF":2.1000,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Thermodynamic and Compressibility Studies of Naphazoline Hydrochloride in Aqueous and Aqueous l-Valine Solutions: Insights into Molecular Interactions and Solvation Behavior\",\"authors\":\"Vandana S. Shende, Mahesh B, Vandana Patel, Ratiram G. Chaudhary and Sangesh P. Zodape*, \",\"doi\":\"10.1021/acs.jced.5c00200\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The molecular interactions and solvation behavior of naphazoline hydrochloride (NPH) in aqueous, 0.025 mol·kg<sup>–1</sup> aqueous <span>l</span>-valine, and 0.05 mol·kg<sup>–1</sup> aqueous <span>l</span>-valine solutions were investigated using density and speed of sound measurements within a concentration range of 0.02–0.15 mol·kg<sup>–1</sup> at different temperatures (<i>T</i> = 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15 K) and atmospheric pressure. The derived parameters, namely, the apparent molar volume of the solute, apparent molar compressibility of the solute, isentropic compressibility of the solution, limiting apparent molar volume of the solute, limiting apparent molar compressibility of the solute, thermal expansion coefficient of the solute, apparent molar expansivity of the solute at infinite dilution, and transfer properties of the solute were calculated by using density and speed of sound data. These parameters provide insights into solute–solute and solute–solvent interactions. The results indicated strong hydrogen bonding and ion–dipole interactions between NPH and water, while the presence of <span>l</span>-valine modulated these interactions by altering the hydration shell and compressibility of the systems. The observed derived parameter trends suggested enhanced structuring effects in aqueous solutions, which were further influenced by the zwitterionic nature of <span>l</span>-valine. To further understand these interactions, UV–visible spectroscopic analysis was conducted. These findings provide valuable insights into the physicochemical properties of NPH in biologically relevant environments, with potential implications for drug formulation, stability, and bioavailability in pharmaceutical applications.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 8\",\"pages\":\"3123–3139\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-08-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00200\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00200","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Thermodynamic and Compressibility Studies of Naphazoline Hydrochloride in Aqueous and Aqueous l-Valine Solutions: Insights into Molecular Interactions and Solvation Behavior
The molecular interactions and solvation behavior of naphazoline hydrochloride (NPH) in aqueous, 0.025 mol·kg–1 aqueous l-valine, and 0.05 mol·kg–1 aqueous l-valine solutions were investigated using density and speed of sound measurements within a concentration range of 0.02–0.15 mol·kg–1 at different temperatures (T = 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15 K) and atmospheric pressure. The derived parameters, namely, the apparent molar volume of the solute, apparent molar compressibility of the solute, isentropic compressibility of the solution, limiting apparent molar volume of the solute, limiting apparent molar compressibility of the solute, thermal expansion coefficient of the solute, apparent molar expansivity of the solute at infinite dilution, and transfer properties of the solute were calculated by using density and speed of sound data. These parameters provide insights into solute–solute and solute–solvent interactions. The results indicated strong hydrogen bonding and ion–dipole interactions between NPH and water, while the presence of l-valine modulated these interactions by altering the hydration shell and compressibility of the systems. The observed derived parameter trends suggested enhanced structuring effects in aqueous solutions, which were further influenced by the zwitterionic nature of l-valine. To further understand these interactions, UV–visible spectroscopic analysis was conducted. These findings provide valuable insights into the physicochemical properties of NPH in biologically relevant environments, with potential implications for drug formulation, stability, and bioavailability in pharmaceutical applications.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.