{"title":"298.15 K温度下β-丙烯二肽在甲酰胺水溶液中溶解和溶剂化的热化学研究","authors":"Valeriy I. Smirnov*, ","doi":"10.1021/acs.jced.5c00162","DOIUrl":null,"url":null,"abstract":"<p >This paper presents, for the first time, the standard values of the enthalpies of β-alanyl-<span>l</span>-histidine (β-Ala-L-His) dissolution (Δ<sub>sol</sub><i>H</i><sup>0</sup>) in the binary solvents water + (formamide, <i>N</i>-methylformamide, and <i>N</i>,<i>N</i>-dimethylformamide) at <i>T</i> = 298.15 K, obtained calorimetrically. Various parameters such as solvation enthalpies, (Δ<sub>solv</sub><i>H</i><sup>0</sup>), transfer enthalpies, (Δ<sub>tr</sub><i>H</i><sup>0</sup>) and the enthalpic coefficients of pairwise interactions (<i>h</i><sub><i>xy</i></sub>) were calculated from these values. The obtained data were compared with similar data for β-alanyl-β–alanine (β-Ala-β-Ala). A similar character of solvation of both peptides in mixtures of the same name has been established. This is evidenced by the linear relationship between the enthalpic coefficients of the pairwise interactions of both peptides. The solvation of peptides is weakened in the series of mixed solvents (H<sub>2</sub>O + FA) < (H<sub>2</sub>O + NMF) < (H<sub>2</sub>O + DMF), which is associated with an increase in the hydrophobic properties of the formamides and an increase in the intermolecular interactions in the mixtures themselves in the same order. However, β-Ala-L-His is more strongly solvated than β-Ala-β-Ala. This is due to the presence of specific solvation centers in the side chain of β-Ala-L-His.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3509–3515"},"PeriodicalIF":2.1000,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Study of the Thermochemical Aspects of the Dissolution and Solvation of Certain β-Alanyl-Dipeptides in Aqueous Solutions of Formamides at a Temperature of T = 298.15 K\",\"authors\":\"Valeriy I. Smirnov*, \",\"doi\":\"10.1021/acs.jced.5c00162\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >This paper presents, for the first time, the standard values of the enthalpies of β-alanyl-<span>l</span>-histidine (β-Ala-L-His) dissolution (Δ<sub>sol</sub><i>H</i><sup>0</sup>) in the binary solvents water + (formamide, <i>N</i>-methylformamide, and <i>N</i>,<i>N</i>-dimethylformamide) at <i>T</i> = 298.15 K, obtained calorimetrically. Various parameters such as solvation enthalpies, (Δ<sub>solv</sub><i>H</i><sup>0</sup>), transfer enthalpies, (Δ<sub>tr</sub><i>H</i><sup>0</sup>) and the enthalpic coefficients of pairwise interactions (<i>h</i><sub><i>xy</i></sub>) were calculated from these values. The obtained data were compared with similar data for β-alanyl-β–alanine (β-Ala-β-Ala). A similar character of solvation of both peptides in mixtures of the same name has been established. This is evidenced by the linear relationship between the enthalpic coefficients of the pairwise interactions of both peptides. The solvation of peptides is weakened in the series of mixed solvents (H<sub>2</sub>O + FA) < (H<sub>2</sub>O + NMF) < (H<sub>2</sub>O + DMF), which is associated with an increase in the hydrophobic properties of the formamides and an increase in the intermolecular interactions in the mixtures themselves in the same order. However, β-Ala-L-His is more strongly solvated than β-Ala-β-Ala. This is due to the presence of specific solvation centers in the side chain of β-Ala-L-His.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 9\",\"pages\":\"3509–3515\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-08-07\",\"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.5c00162\",\"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.5c00162","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}
Study of the Thermochemical Aspects of the Dissolution and Solvation of Certain β-Alanyl-Dipeptides in Aqueous Solutions of Formamides at a Temperature of T = 298.15 K
This paper presents, for the first time, the standard values of the enthalpies of β-alanyl-l-histidine (β-Ala-L-His) dissolution (ΔsolH0) in the binary solvents water + (formamide, N-methylformamide, and N,N-dimethylformamide) at T = 298.15 K, obtained calorimetrically. Various parameters such as solvation enthalpies, (ΔsolvH0), transfer enthalpies, (ΔtrH0) and the enthalpic coefficients of pairwise interactions (hxy) were calculated from these values. The obtained data were compared with similar data for β-alanyl-β–alanine (β-Ala-β-Ala). A similar character of solvation of both peptides in mixtures of the same name has been established. This is evidenced by the linear relationship between the enthalpic coefficients of the pairwise interactions of both peptides. The solvation of peptides is weakened in the series of mixed solvents (H2O + FA) < (H2O + NMF) < (H2O + DMF), which is associated with an increase in the hydrophobic properties of the formamides and an increase in the intermolecular interactions in the mixtures themselves in the same order. However, β-Ala-L-His is more strongly solvated than β-Ala-β-Ala. This is due to the presence of specific solvation centers in the side chain of β-Ala-L-His.
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.