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磷酸西他列汀在超临界二氧化碳中的溶解度实验与建模:提出一种新的缔合模型

Experimental and modeling of solubility of sitagliptin phosphate, in supercritical carbon dioxide: proposing a new association model.

作者信息

Ardestani Nedasadat Saadati, Sajadian Seyed Ali, Esfandiari Nadia, Rojas Adrián, Garlapati Chandrasekhar

机构信息

Nanotechnology Research Center, Research Institute of Petroleum Industry (RIPI), 14857-336, Tehran, Iran.

Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan, 87317-53153, Iran.

出版信息

Sci Rep. 2023 Oct 16;13(1):17506. doi: 10.1038/s41598-023-44787-z.

Abstract

The solubility of an anti-hyperglycemic agent drug, (R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro [1,2,4] triazolo[4,3-a] pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl) butan-2-amine (also known as Sitagliptin phosphate) in supercritical carbon dioxide (scCO) was determined by ananalytical and dynamic technique at different temperatures (308, 318, 328 and 338 K) and pressure (12-30 MPa) values. The measured solubilities were in the range of 3.02 × 10 to 5.17 × 10, 2.71 × 10 to 5.83 × 10, 2.39 × 10 to 6.51 × 10 and 2.07 × 10 to 6.98 × 10 in mole fraction at (308, 318, 328 and 338) K, respectively. The solubility data were correlated with existing density models and with a new association model.

摘要

一种抗高血糖药物(R)-4-氧代-4-[3-(三氟甲基)-5,6-二氢[1,2,4]三唑并[4,3-a]吡嗪-7(8H)-基]-1-(2,4,5-三氟苯基)丁-2-胺(也称为磷酸西他列汀)在超临界二氧化碳(scCO₂)中的溶解度,通过分析和动态技术在不同温度(308、318、328和338 K)及压力(12 - 30 MPa)值下进行了测定。在(308、318、328和338)K时,测得的溶解度分别在摩尔分数3.02×10⁻⁵至5.17×10⁻⁵、2.71×10⁻⁵至5.83×10⁻⁵、2.39×10⁻⁵至6.51×10⁻⁵和2.07×10⁻⁵至6.98×10⁻⁵范围内。溶解度数据与现有的密度模型以及一种新的缔合模型进行了关联。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/821a/10579220/39e5dd027c2c/41598_2023_44787_Fig1_HTML.jpg

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