RESUMO
Developing high-performance solvents for extraction and optimizing process technologies is crucial for efficient extractive distillation (ED) separation of azeotrope mixtures. In this paper, computer-aided screening was used to study the ED of azeotrope mixtures in ethyl acetate and ethanol systems using organic solvent dimethyl sulfoxide (DMSO) and ionic liquid (IL) ([EMIM][Ac]). The structural relationship between the ILs and the azeotrope mixture was analyzed by σ-profile, molecular surface electrostatic potential, interaction energy, and separation gradient. Subsequently, process simulation was carried out using Aspen Plus software and global optimization was performed with genetic algorithm, which found that both traditional organic solvents and ILs have good separation effects. But considering the high volatility of organic solvents and low saturation vapor pressure of ILs, it is considered to combine them to further explore the cost and carbon emission advantages in extractive distillation separation. Compared with pure organic solvent and pure ILs separation processes, the TAC of the process using an IL-based mixed solvent process decreased by 5.11 and 21.98%, respectively. The carbon emissions of the mixed extractant process were slightly higher than those of the pure organic solvent process, but the addition of ILs made very little volatilization of organic solvents, saving a charge for extractant use. By improving the process, waste heat is effectively recovered, which can save most of the utility engineering costs, and compared with the previous process, the total alkali consumption and carbon dioxide emissions are reduced by 9.43 and 27.17%, respectively. This exploration provides a theoretical reference for the development application and industrial research of ED processes using IL-based mixed solvents.
RESUMO
BACKGROUND: Hepatocellular carcinoma closely related to metabolic disorders is a common and aggressive liver malignancy. The dysregulation of bile acid homeostasis has emerged as a key factor for the development and progression of HCC. We aimed to investigate the relationship between bile acids and HCC diagnosis and progression. METHODS: A total of 744 HBV-related patients (including 396 HCC patients and 348 patients with chronic liver diseases) were enrolled in the current study. The baseline characteristics of patients were collected from electronic medical records, and the levels of bile acid profiles were determined by LC-MS/MS. Propensity score matching analysis was conducted to reduce the effect of selection bias, and receiver operating characteristic analysis was performed to evaluate the clinical application values of bile acid. RESULTS: Significant differences were observed for most characteristics between the HCC group and the CLD group before PSM analysis. Patients with HCC were older and fatter (p < 0.05). After adjusting with a 1:1 ratio for age, gender and BMI, 42 HCC patients and 42 non-HCC patients were matched in 2 groups, respectively. The total bile acid level in HCC patients was lower than that in patients with chronic liver diseases before and after PSM analysis (p < 0.05). However, patients with HCC had significantly higher levels of DCA, LCA, and GLCA and lower levels of TCDCA, GUDCA, and TUDCA (p < 0.05, respectively). Besides, the TCDCA, TUDCA, GLCA, and GUDCA were significantly correlated with tumor procession. Moreover, the BAs profiles had a superior predictive ability for predicting the development of HCC even in patients with low serum AFP levels. CONCLUSION: Patients with HCC had significantly lower levels of total bile acid, but higher levels of secondary bile acids (DCA, LCA, and GLCA). The levels of primary bile acid (TCDCA) were closely related to tumor size and stage, which indicated that the bile acids were involved in the HCC procession and had important clinical application values.