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磺胺间甲氧嘧啶在乙腈+乙醇混合溶剂中的溶解度:热力学和建模。

Solubility of Sulfamerazine in Acetonitrile + Ethanol Cosolvent Mixtures: Thermodynamics and Modeling.

机构信息

Programa de Administración en Seguridad y Salud en el Trabajo, Grupo de Investigación en Seguridad y Salud en el Trabajo, Corporación Universitaria Minuto de Dios-UNIMINUTO, Neiva 410001, Huila, Colombia.

Programa de Ingeniería Civil, Grupo de Investigación de Ingenierías UCC-Neiva, Facultad de Ingeniería, Universidad Cooperativa de Colombia, Sede Neiva, Calle 11 No. 1-51, Neiva 410001, Huila, Colombia.

出版信息

Molecules. 2024 Nov 9;29(22):5294. doi: 10.3390/molecules29225294.

DOI:10.3390/molecules29225294
PMID:39598683
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11596082/
Abstract

Sulfamerazine (SMR) is a drug used as an antibacterial agent in the treatment of some pathologies, such as bronchitis, prostatitis and urinary tract infections. Although this drug was developed in 1945 and, due to its toxicity, was partially displaced by penicillin, due to the current problem of bacterial resistance, compounds such as SMR have regained validity. In this context, the thermodynamic study of SMR in cosolvent mixtures of acetonitrile (MeCN) + ethanol (EtOH) at nine temperatures (278.15-318.15 K) is presented. The solubility of SMR was determined by UV-Vis spectrophotometry, following the guidelines of the shake-flask method. The solubility process was endothermic in all cases; thus, the minimum solubility was reached in pure EtOH at 278.15 K, and the maximum solubility was reached in pure MeCN at 318.15 K. Both the solution process and the mixing process were entropy-driven. On the other hand, the solubility data were modeled by using the van't Hoff-Yalkowsky-Roseman model, obtaining an overall average relative deviation of 3.9%. In general terms, it can be concluded that the solution process of SMR in {MeCN (1) + EtOH (2)} mixtures is thermodependent, favored by the entropy of the solution and mixture; additionally, the van't Hoff-Yalkowsky-Roseman model allows very good approximations to be obtained and is a simple model that starts from only four experimental data.

摘要

磺胺脒(SMR)是一种用于治疗某些疾病的抗菌药物,如支气管炎、前列腺炎和尿路感染。尽管这种药物是在 1945 年开发的,由于其毒性,部分被青霉素取代,但由于当前细菌耐药性的问题,像 SMR 这样的化合物又重新获得了有效性。在这种情况下,本文介绍了在乙腈(MeCN)+乙醇(EtOH)共溶剂混合物中磺胺脒在九个温度(278.15-318.15 K)下的热力学研究。SMR 的溶解度通过紫外可见分光光度法确定,遵循摇瓶法的指导原则。在所有情况下,溶解度过程都是吸热的;因此,在 278.15 K 的纯 EtOH 中达到最小溶解度,在 318.15 K 的纯 MeCN 中达到最大溶解度。溶液过程和混合过程都是熵驱动的。另一方面,溶解度数据通过范特霍夫-雅可比-罗塞曼模型进行建模,得到总体平均相对偏差为 3.9%。总的来说,可以得出结论,SMR 在{MeCN(1)+EtOH(2)}混合物中的溶解过程是热依赖性的,有利于溶液和混合物的熵;此外,范特霍夫-雅可比-罗塞曼模型可以得到很好的近似,并且是一个简单的模型,只需四个实验数据即可开始。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/311aabee0757/molecules-29-05294-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/12df6a013bb7/molecules-29-05294-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/42d9a430a465/molecules-29-05294-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/87310640381b/molecules-29-05294-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/6bd82f86644d/molecules-29-05294-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/792d67375465/molecules-29-05294-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/8dbb2454a939/molecules-29-05294-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/846a2228796d/molecules-29-05294-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/311aabee0757/molecules-29-05294-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/12df6a013bb7/molecules-29-05294-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/42d9a430a465/molecules-29-05294-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/87310640381b/molecules-29-05294-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/6bd82f86644d/molecules-29-05294-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/792d67375465/molecules-29-05294-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/8dbb2454a939/molecules-29-05294-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/846a2228796d/molecules-29-05294-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e93f/11596082/311aabee0757/molecules-29-05294-g008.jpg

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