JOURNAL OF MOLECULAR LIQUIDS
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2019
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IF 4.561
Yajun Li,Kui Wu,Lei Liang
The solid-liquid equilibrium solubility of 2-phenylacetamide in sixteen pure solvents, i.e. methanol, ethanol, n -propanol, isopropanol, n -butanol, isobutanol , n -pentanol, isopentanol, acetone, ethyl acetate , acetonitrile , 2-butanone, 2-pentanone, methyl acetate , ethyl formate and tetrahydrofuran was obtained over a temperature range from 273.75 K to 324.95 K by a gravimetric method under atmospheric pressure. For all the solvents investigated, the equilibrium solubility of 2-phenylacetamide increases with augmented temperature. The statistical correlations were correlated by the modified Apelblat model, λh equation, non-random two-liquid (NRTL) equation and the Wilson equation. On the basis of thermodynamic relations and the Wilson model, the dissolution enthalpy, entropy, and Gibbs free energy were calculated. The results demonstrate that the dissolution of 2-phenylacetamide is a spontaneous and entropy-driven process in the selected solvents. The solubility data, correlation models and derived dissolution properties would promote the development of the separation and reaction of 2-phenylacetamide in industry.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2021
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IF 13.273
Li Liu,Yuxin Li,Wei Li,Yeqing Lan,Ying Li
In this study, CrPO 4 -supported Co 3 O 4 (CrPO 4 @Co 3 O 4 ) as an efficient peroxymonosulfate (PMS) catalyst was obtained for the first time and used to eliminate phenacetin (PNT) from aqueous solution efficiently. CrPO 4 @Co 3 O 4 composite exhibited a superb catalytic performance, and over 98% PNT was degraded by PMS (0.5 mM) within 15 min, which is much more efficient than in the systems of CrPO 4 /PMS and Co 3 O 4 /PMS. The excellent catalytic performance of CrPO 4 @Co 3 O 4 was attributed to its higher BET surface area. On the other hand, the presence of PO 4 3- in the catalyst might improve the conversion of Co(III) to Co(II). The latter served as the main active site for the PMS activation. CrPO 4 @Co 3 O 4 also possessed superior stability and reusability, and the removal rates of PNT remained over 91% through 4 cycle tests. Solution pH significantly impacted the PNT decomposition, and the optimal catalytic degradation of PNT was achieved in an initial range of 5 to 7. Humic acid, HCO 3 − , and Cl − inhibited PNT degradation. Radical scavenging experiments and EPR technology revealed that SO 4 •− free radicals were the main reactive oxygen species (ROS) responsible for PNT degradation. While O 2 •− mainly acted as the intermediate to form SO 4 •− and 1 O 2 . To assess the practical application of the CrPO 4 @Co 3 O 4 /PMS system, the PNT degradation was investigated in real lake water. Based on HPLC-TOF-MS 2 analysis, 14 intermediates were identified, and the degradation pathways were further inferred. Therefore, this study provides a feasible strategy for the valuable use of CrPO 4 as recycled material and a practical solution for the efficient degradation of organic contaminants.
研究领域:
环境科学
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催化材料
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DOI
高影响因子
Journal of Environmental Chemical Engineering
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2022
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IF 7.968
Zeming Wang,Li Liu,Yeqing Lan,Wei Li
Discarded cigarette butts, a kind of abandoned waste, have posed a threat to environments. Nevertheless, they are also an available carbon source serving as adsorbents. On the other hand, antibiotic overuse has brought potential risks to natural organisms. In this study, a novel adsorbent via anchoring zero valent tin (Sn 0 ) onto carbon derived from cigarette butts (Sn-CCB) was obtained to enhance the removal of antibiotic phenacetin (PNT) from aqueous solution. A series of characterizations were conducted to investigate the physical and chemical properties of Sn-CCB. Sn was proved to exist in the species of Sn 0 , which was uniformly distributed on the surface of the CCB material. Compared with CCB material, Sn-CCB possessed more excellent performance in three aspects below: (1) 70% growth of BET surface area (458 m 2 g −1 vs . 273 m 2 g −1 ); (2) 2.2 times of the maximum adsorption capacity (156.4 mg g −1 vs . 71.3 mg g −1 ); and (3) better hydrophilicity. The fitting results of pseudo-second-order kinetic model and FTIR spectra confirmed that the removal of PNT by Sn-CCB was chemisorption . Langmuir equation was more suitable to describe the adsorption of PNT with r 2 = 0.9989, indicating the mono-layer sorption . The feasibility of practical application was also assessed. The adsorbent exhibited excellent stability and reusability, and the maximum adsorption capacity still maintained 150.2 mg g −1 even after the fifth cycle. Coexisting ions (Cl - , HCO 3 - , and NO 3 - ), humic acid , and realistic water matrix all exerted humble effect on the adsorption of PNT. Furthermore, our results confirmed that Sn-CCB as an adsorbent for the removal of PNT in a column reactor was feasible.Therefore, this study provides us with an innovative strategy to prepare potential adsorbents using cigarette butts as a recycled material for the removal of antibiotics from aqueous solution.
研究领域:
环境科学
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材料科学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2024
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IF 5.3
Fan Luo,Changchao Zhang,Yuyang Zhang,Jie Han,Ziteng Wang,Wenge Yang,Yonghong Hu
4-Hydroxyphenylacetamide (HPAD) is commonly used in the synthesis of high value-added chemicals in the fields of medicine, food and agriculture, such as atenolol, p -hydroxyphenylacetic acid, L -phenylalanine and D -phenylalanine. HPAD relies on chemical synthesis, involving multi-step reactions and multiple chemical catalysts. It is crucial to select appropriate organic solvent to improve yield and purity. In this work, the solubility of HPAD in 12 pure solvents (water, acetonitrile, methanol, ethanol, n-propanol, isopropanol, n-butanol, n-hexane, n-heptane, methyl acetate, ethyl acetate, n-butyl acetate) and 3 binary solvents (n-hexane + methanol, acetonitrile + methanol, n-heptane + methanol) was investigated in the range of 278.15–323.15 K. The solubility of HPAD in the selected solvents was positively correlated with the temperature. Hansen solubility parameters were used to study the dissolution behavior of HPAD. Then, the solvent effect was analyzed by KAT-LSER model, and it was found that the hydrogen bond acidity and nonspecific dipolarity/polarizability of solvents favored the dissolution of HPAD. Moreover, the modified Apelblat model (MA model), λ h model, CNIBS/R-K model (CNK model), Jouyban-Acree model (JA model), and SUN model were used to fit and analyze experimental data. The results showed that the MA model and the CNK model were the best models for single and binary solvents, respectively. Finally, van’t Hoff analysis showed that the dissolution of HPAD in the selected solvents was an endothermic and entropic driven process. This work provided reference data for the separation, purification and crystallization of HPAD, and had certain guiding significance for its industrial production and application.
研究领域:
化学工程
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制药工程
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物理化学
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DOI
高影响因子
ENVIRONMENTAL SCIENCE & TECHNOLOGY
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2022
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IF 11.357
Shaoyang Hu,Han Yeong Kaw,Lizhong Zhu,Wei Wang
Nitrogenous aromatic halogenated disinfection byproducts (DBPs) in drinking water have received considerable attention recently owing to their relatively high toxicity. In this study, a new group of nitrogenous aromatic halogenated disinfection byproducts, halophenylacetamides (HPAcAms), were successfully identified for the first time in both the laboratory experiments and realistic drinking water. The formation mechanism of HPAcAms during chlorination of phenylalanine in the presence of Br– and I–, occurrence frequencies, and concentrations in authentic drinking water were investigated, and a quantitative structure–activity relationship (QSAR) model was developed based on the acquired cytotoxicity data. The results demonstrated that HPAcAms could be formed from phenylalanine in chlorination via electrophilic substitution, decarboxylation, hydrochloric acid elimination, and hydrolysis. The HPAcAm yields from phenylalanine were significantly affected by contact time, pH, chlorine dose, and temperature. Nine HPAcAms with concentrations in the range of 0.02–1.54 ng/L were detected in authentic drinking water samples. Most tested HPAcAms showed significantly higher cytotoxicity compared with dichloroacetamide, which is the most abundant aliphatic haloacetamide DBP. The QSAR model demonstrated that the cellular uptake efficiency and the polarized distributions of electrons of HPAcAms play essential roles in their cytotoxicity mechanisms.
研究领域:
环境科学
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毒理学
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水处理
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DOI
PubMed
高影响因子
WATER RESEARCH
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2024
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IF 11.4
Shaoyang Hu,Xiangxiang Li,Falin He,Yuntao Qi,Beibei Zhang,Rutao Liu
Halophenylacetamides (HPAcAms) have been identified as a new group of nitrogenous aromatic disinfection byproducts (DBPs) in drinking water, but the toxicity mechanisms associated with HPAcAms remain almost completely unknown. In this work, the cytotoxicity of HPAcAms in human hepatoma (HepG2) cells was evaluated, intracellular oxidative stress/damage levels were analyzed, their binding interactions with antioxidative enzyme were explored, and a quantitative structure-activity relationship (QSAR) model was established. Results indicated that the EC 50 values of HPAcAms ranged from 2353 μ M to 9780 μ M, and the isomeric structure as well as the type and number of halogen substitutions could obviously induce the change in the cytotoxicity of HPAcAms. Upon exposure to 2-(3,4-dichlorophenyl)acetamide (3,4-DCPAcAm), various important biomarkers linked to oxidative stress and damage, such as reactive oxygen species, 8-hydroxy-2-deoxyguanosine, and cell apoptosis, exhibited a significant increase in a dose-dependent manner. Moreover, 3,4-DCPAcAm could directly bind with Cu/Zn-superoxide dismutase and induce the alterations in their structure and activity, and the formation of complexes was predominantly influenced by the van der Waals force and hydrogen bonding. The QSAR model supported that the nucleophilic reactivity as well as the molecular compactness might be highly important in their cytotoxicity mechanisms in HepG2 cells, and 2-(2,4-dibromophenyl)acetamide and 2-(3,4-dibromophenyl)acetamide deserved particular attention in future studies due to the relatively higher predicted cytotoxicity. This study provided the first comprehensive investigation on the cytotoxicity mechanisms of HPAcAm DBPs.
研究领域:
环境科学
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毒理学
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化学
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生物化学
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产品关联
DOI
PubMed
高影响因子
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