Journal of Chemical & Engineering Data最新文献

{"title":"Excess Thermodynamic Study of Binary Mixtures of Benzyl Alcohol with Amides at Temperatures 298.15–323.15 K","authors":"Kolla Narendra*,  and , Srinivasa Krishna Tadikonda, ","doi":"10.1021/acs.jced.5c0005710.1021/acs.jced.5c00057","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00057https://doi.org/10.1021/acs.jced.5c00057","url":null,"abstract":"<p >The speeds of sound, <i>u</i>, and densities, ρ, of the blends of benzyl alcohol with amides including those of pure liquids, have been determined over the mole fraction range of 0 to 1 for benzyl alcohol, with intervals of 0.1, at 298.15–323.15 K and a pressure of 0.1 MPa. The measured data were utilized to evaluate various thermodynamic excess properties, including excess molar volumes, <i></i><math><msubsup><mrow><mi>V</mi></mrow><mrow><mi>m</mi></mrow><mrow><mi>E</mi></mrow></msubsup></math>, excess isentropic compressibility, <i></i><math><msubsup><mrow><mi>κ</mi></mrow><mrow><mi>s</mi></mrow><mrow><mi>E</mi></mrow></msubsup></math>, excess speeds of sound, <i>u</i><sup>E</sup>, excess molar isentropic compressibility, <i></i><math><msubsup><mrow><mi>K</mi></mrow><mrow><mrow><mi>s</mi></mrow><mrow><mo>,</mo></mrow><mrow><mi>m</mi></mrow></mrow><mrow><mi>E</mi></mrow></msubsup></math>, excess isobaric thermal expansion, <i></i><math><msubsup><mrow><mi>α</mi></mrow><mrow><mi>p</mi></mrow><mrow><mi>E</mi></mrow></msubsup></math>. These excess properties were calculated and subsequently correlated using the Redlich–Kister equation. The excess partial molar volumes, <i></i><math><msubsup><mrow><mover><mi>V</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>1</mn></mrow></mrow><mrow><mi>E</mi></mrow></msubsup></math> and <i></i><math><msubsup><mrow><mover><mi>V</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>2</mn></mrow></mrow><mrow><mi>E</mi></mrow></msubsup></math> and excess partial molar isentropic compressibilities, <i></i><math><msubsup><mrow><mover><mi>K</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>s</mi></mrow><mrow><mo>,</mo></mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>1</mn></mrow></mrow><mrow><mi>E</mi></mrow></msubsup></math> and <i></i><math><msubsup><mrow><mover><mi>K</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>s</mi></mrow><mrow><mo>,</mo></mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>2</mn></mrow></mrow><mrow><mi>E</mi></mrow></msubsup></math>, excess partial molar volumes, <i></i><math><msubsup><mrow><mover><mi>V</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>1</mn></mrow></mrow><mrow><mrow><mo>°</mo></mrow><mrow><mi>E</mi></mrow></mrow></msubsup></math> and <i></i><math><msubsup><mrow><mover><mi>V</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>2</mn></mrow></mrow><mrow><mrow><mo>°</mo></mrow><mrow><mi>E</mi></mrow></mrow></msubsup></math>, and excess partial molar isentropic compressibilities, <i></i><math><msubsup><mrow><mover><mi>K</mi><mo>¯</mo></mover></mrow><mrow><mrow><mi>s</mi></mrow><mrow><mo>,</mo></mrow><mrow><mi>m</mi></mrow><mrow><mo>,</mo></mrow><mrow><mn>1</mn></mrow></mrow><mrow><mrow><mo>°</mo></mrow><mrow><mi>E</mi></mrow></mrow></msubsup></math> and <i></i><math><msubsup><mrow><mover><mi>K</mi><mo>¯</mo><","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 6","pages":"2249–2259 2249–2259"},"PeriodicalIF":2.0,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144261096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring Diverse Molecular Interactions of Some Amino Acids in the Aqueous Solution of an Antiemetic Drug (MCH) through Physicochemical and Computational Approaches","authors":"Doli Roy,&nbsp;Kangkan Mallick,&nbsp;Priyanka Roy,&nbsp;Mantu Dey,&nbsp;Sibashis Deb,&nbsp;Archita Paul,&nbsp;Shreya Chakraborty,&nbsp;Subhankar Choudhury and Mahendra Nath Roy*,&nbsp;","doi":"10.1021/acs.jced.4c0057710.1021/acs.jced.4c00577","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00577https://doi.org/10.1021/acs.jced.4c00577","url":null,"abstract":"<p >In this research, the physicochemical properties of some amino acids, namely, <span>l</span>-alanine (<span>l</span>-Ala), <span>l</span>-valine (<span>l</span>-Val), and <span>l</span>-leucine (<span>l</span>-Leu), have been determined in various concentrations (0.001, 0.003, and 0.005 mol. kg^–1) of an aqueous metoclopramide hydrochloride (MCH) solution at five different temperatures (293.15 to 313.15 K) and pressure at 0.1 MPa. The research focused on assessing volume-related properties, including apparent molar volume (ϕ_v), limiting apparent molar volume <i></i><math><msubsup><mrow><mi>ϕ</mi></mrow><mrow><mi>v</mi></mrow><mrow><mn>0</mn></mrow></msubsup></math>, limiting apparent molar volume of transfer <i></i><math><mo>(</mo><mo>Δ</mo><msubsup><mrow><mi>ϕ</mi></mrow><mrow><mi>v</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>)</mo></math>, and hydration numbers (n_H), by analyzing density data. The viscosity data have been fitted into the Jones–Dole formula and transition state treatment to estimate the viscosity <i>A</i> and <i>B</i> coefficients, <i>dB/dT</i> values, and activation parameters <i>Δ</i><i></i><math><msubsup><mrow><mi>μ</mi></mrow><mrow><mn>1</mn></mrow><mrow><mn>0</mn><mo>≠</mo></mrow></msubsup><mo>,</mo><mi>Δ</mi><msubsup><mrow><mi>μ</mi></mrow><mrow><mn>2</mn></mrow><mrow><mn>0</mn><mo>≠</mo></mrow></msubsup><mo>,</mo><mi>T</mi><mi>Δ</mi><msubsup><mrow><mi>S</mi></mrow><mrow><mn>2</mn></mrow><mrow><mn>0</mn><mo>≠</mo></mrow></msubsup><mo>,</mo><mi>Δ</mi><msubsup><mrow><mi>H</mi></mrow><mrow><mn>2</mn></mrow><mrow><mn>0</mn><mo>≠</mo></mrow></msubsup></math>. Conductance and tensiometric properties were also measured. Amino acids have the potential to break the structure of aq. MCH solution, based on experimental values for Hepler’s constant <i></i><math><msub><mrow><mo>(</mo><mo>∂</mo><msubsup><mrow><mi>ϕ</mi></mrow><mrow><mi>E</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>/</mo><mo>∂</mo><mi>T</mi><mo>)</mo></mrow><mrow><mi>P</mi></mrow></msub></math>, derivatives of the B coefficient <i>(dB/dT)</i>, and Walden Product <i></i><math><mo>(</mo><msubsup><mrow><mi>Λ</mi></mrow><mrow><mi>m</mi></mrow><mrow><mn>0</mn></mrow></msubsup><msub><mrow><mi>η</mi></mrow><mrow><mn>0</mn></mrow></msub><mo>)</mo></math>. Additionally, UV–vis and computational studies have been conducted to identify the various interactions present between the solute and solvent. The primary aim of this study is to understand the role of some amino acids in a water-based solution containing metoclopramide hydrochloride (MCH), which could offer significant insights for the pharmaceutical sector.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 6","pages":"2215–2234 2215–2234"},"PeriodicalIF":2.0,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144261064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Yue Wang,&nbsp;Xiaohe Wang,&nbsp;Saisai Wang,&nbsp;JiaWei Zhao,&nbsp;Yang Wu,&nbsp;Tao Zhang*,&nbsp;Zhigang Zhang and Wenxiu Li*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00104","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144454857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Vira Agieienko*,&nbsp;Ekaterina A. Stepanova and Richard Buchner,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00052","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144454873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Adel Noubigh*,&nbsp;Hammadi Khmissi and Manef Abderrabba,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144359450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Mohammad Almasi,&nbsp; and ,&nbsp;Ariel Hernández*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00048","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144454853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Xiaojiang Liang,&nbsp;Xuelei Ye,&nbsp;Haotian Fei,&nbsp;Wenhao Li,&nbsp;Yuan Zhang,&nbsp;Weiwei Chen,&nbsp;Jianan Luo and Yong Nie*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.4c00667","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144454866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Dan Li*,&nbsp;Xiazhen Zhang,&nbsp;Xue Meng,&nbsp;Longxia Hao,&nbsp;Yixin Li and Guoqing Sui,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.4c00745","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144454868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Friday Junior Owuna,&nbsp;Antonin Chapoy*,&nbsp;Pezhman Ahmadi and Rod Burgass,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.4c00666","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144454876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"Ankita S. Chandak,&nbsp; and ,&nbsp;Sangesh P. Zodape*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":2.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.4c00748","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144359453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}