CHEMICAL ENGINEERING JOURNAL
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2022
·
IF 16.744
Yingcai Tang,Zhiqiang Chen,Qinxue Wen,Baozhen Liu,Xia Huang
Contamination of pharmaceutically active ingredients (PhACs) in water has attracted the attention of the scientific community. Magnetic powdery acrylic polymer (MPAP) was prepared and used to adsorb atenolol (ATL) in aqueous solution for the first time. Adsorption kinetics results showed that the adsorption of ATL on MPAP reached equilibrium within 30 min, and the removal efficiency of ATL (100 mL, 500 mg·L −1 ) with 0.05 g MPAP was 86.8%. Adsorption isotherms showed that the maximum adsorption capacity was 2.82 × 10 3 mg·g −1 at 323 K. The positive △ H 0 (9.94 KJ·mol −1 ) indicated that the increase of temperature was beneficial to the adsorption. The positive △ S 0 (90.5 J·mol −1 ·K −1 ) indicated the increase of randomness of the adsorbent-solution interface. Cations in solution decreased the adsorption capacity of ATL by competing for the active sites on MPAP. The adsorption amount of ATL decreased with the decrease of solution pH. The hydrogen bonding adsorption mechanism was proposed and verified by the theoretical calculations. The adsorption of ATL on MPAP was more efficient under alkaline conditions, which could be explained by the loss of H from the carboxyl group being more favourable for the adsorption of protonated ATL. The degree of electron sharing between H-bond donors and H atoms decreased after the formation of H-bonds, which was reflected in the increase of bond length and the decrease of vibrational frequency. MPAP has high adsorption capacity and short adsorption equilibrium time, which is a promising adsorbent for removal of PhACs containing amide groups.
研究领域:
环境科学
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材料科学
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药学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2019
·
IF 3.218
Xiuping Sun,Guifang Pan,Haiqiang Qi,Zhirong Sun
The nickel ions (Ni 2+ ) leaching is a crucial issue that must be considered when using nickel-foam (NF) as the electrode material . Here, the NF composite cathode (CNTs-nafion/NF/PTFE) was fabricated by the facile dip-coating process for the atenolol (ATL) elimination in electro-Fenton (EF) system. The preparation conditions and experimental variables were investigated and optimized. The introduction of PTFE hydrophobic layer not only greatly enhanced H 2 O 2 electro-generation, but also effectively controlled the Ni 2+ leaching under the acidic condition (pH = 3). Remarkably, CNTs-nafion/NF/PTFE exhibited a comparatively excellent stability and low Ni 2+ leaching amount (0.035 ppm) after six consecutive cycles. And the composite cathode showed favorable performance in 20 mg L − 1 ATL degradation using 0.4 mM Fe 2+ under current density 9 mA cm − 2 and initial pH 3.0, achieving 100% degradation efficiency within 30 min and 41.7% TOC removal rate within 120 min. Further, it was confirmed that hydroxyl radicals ( OH) and superoxide anions ( O 2 ) were considered to be active substances in the EF system, and OH played the predominant role. Also, the reasonable degradation mechanism and reaction pathways of ATL in the EF process were proposed. Overall, the facile preparation procedure and the lower Ni 2+ leaching amount make the NF composite cathode a practicable alternative to carbonaceous materials in the EF system.
研究领域:
环境科学
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电化学工程
✓ 已验证
产品关联
DOI
高影响因子
RADIATION PHYSICS AND CHEMISTRY
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2021
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IF 2.858
Zhuhao Huo,Siqi Wang,Qi Zou,Haiyang Shao,Gang Xu
Atenolol (ATE) is one of the most frequently detected persistent emerging pollutants in wastewater. The performance of electron beam irradiation (EB) in decomposition and mineralization of ATE in aqueous solutions was evaluated. The results showed the radiolytic degradation of ATE was efficient with a degradation rate of 97% for 100 mg L −1 under 5 kGy. The degradation kinetic nicely followed pseudo first-order kinetic model. The effect of saturated solutions of N 2 O, O 2 , N 2 , and tert -butanol were studied, which elucidated that • OH played a major role and • H and e − aq played a minor role in ATE degradation. The presence of NO 2 − , NO 3 − , CO 3 2− , Cl − and fulvic acid significantly affected the degradation of ATE. The degradation of ATE was seriously inhibited in municipal wastewater compared with surface water and ultrapure water. The TOC removal efficiency of ATE by electron beam alone was relative low about 3% in 10 kGy, which was improved to 20% combining with 10 mM K 2 S 2 O 8 due to reaction between SO 4 •− radical and intermediates. The main radiolytic degradation pathways of ATE involved breakage of the ether bond in branched chain, cleavage of the isopropyl group and the carboxamide group, and attack to the aromatic ring by • OH radical. The potential active sites probed by Fukui function and Dual descriptor were consistent with the results of intermediates. This study envisaged a promising strategy to treat wastewater containing recalcitrant contaminants.
研究领域:
环境科学
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放射化学
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水处理工程
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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IF 2.323
Panliang Zhang,Shichuan Wang,Weifeng Xu,Kewen Tang
Enantioselective liquid–liquid extraction (ELLE) was adopted to separate atenolol (AT) enantiomers, where tartrate and boric acid (BA) were used as the chiral selector. Influence of process variables on extraction efficiency were studied, including type of tartaric acid derivatives, type of the organic solvent, pH of aqueous phase, molality of BA and tartaric acid derivatives, as well as temperature. A theoretical model was developed based on the mechanism research on reactive extraction of AT enantiomers by n-hexyl (L)-tartrate (LT) and BA. Important parameters of this model were determined. By modeling and experiment, the optimal conditions identified involve the LT molality of 0.0796 mol·kg–1, BA molality of 0.1 mol·kg–1, AT molality of 1.592 mmol·kg–1, and pH value of 9.00 at 278 K, where the obtained enantioselectivity (α) is 1.8951 and performance factor (pf) is 0.0608.
研究领域:
化学工程
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药物化学
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分析化学
✓ 已验证
产品关联
DOI
高影响因子
CHIRALITY
·
2021
·Vol. 33
·期 10
·710-721
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IF 2.437
Hui Bai,Lei Chen
Simultaneous separation of the enantiomer and impurities is a huge challenge for the quality control of the chiral drug. In this work, mixed-mode chiral ligand exchange stationary phases (CSPs) modified by octyl and sulfhydryl ligands were prepared by vapor deposition and click chemistry methods. Qualitative and quantitative determination of the prepared CSPs were achieved by Fourier transform infrared spectroscopy, solid-state 13 C CP/MAS NMR, and elemental analysis. The chiral resolution of CSPs was investigated through a comprehensively chromatographic evaluation of various racemates. Besides, the thermodynamic experiment was carried out to elucidate the contribution of hydrophobic ligand to the improvement of chiral recognition and selectivity. Atenolol and its degradation products were analyzed on the synthesized CSPs and compared with the commercial chiral column. A good separation of atenolol enantiomers from its acid and alkaline degradation impurities was simultaneously achieved on the C 8 /L-Hypro CSP. This new CSP is expected to have more applications in the quality control of other chiral drugs.
研究领域:
药物化学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
APPLIED SURFACE SCIENCE
·
2020
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IF 6.182
Yifei Wang,Jing Niu,Xin Gao,Yanlin Zhang
In this study, Y-doped Ag 3 PO 4 , carbon quantum dots (CQDs), BiVO 4 were used to synthesize Z-scheme Y-Ag 3 PO 4 /CQDs/BiVO 4 . X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FT-IR) and UV–vis diffuse reflectance spectra (DRS) were employed to probe into the crystalline structure, morphology, optical property and chemical composition of Y-Ag 3 PO 4 /CQDs/BiVO 4 . The kinetic constant of the prepared Y-Ag 3 PO 4 /CQDs/BiVO 4 was approximately 2.8 times that of pristine Ag 3 PO 4 for atenolol degradation. The degradation of atenolol mainly depended on the excited holes, •OH and •O 2 − . The photocatalysis mechanism of Y-Ag 3 PO 4 /CQDs/BiVO 4 conforms to the Z-scheme mechanism deduced by reactive species trapping experiment, electron spin resonance (ESR) and photoelectrochemical measurement (photocurrent response and EIS). The introduction of yttrium, CQDs and BiVO 4 significantly promoted the photogenerated carriers separation of Ag 3 PO 4 and inhibited the photogenerated electron-holes pairs recombination of Ag 3 PO 4 during the degradation of atenolol. Oxygen defects caused by the doping of Y 3+ into Ag 3 PO 4 were the centers of capture of photogenerated electrons to generate •O 2 − , inhibiting the recombination of photogenerated electron-holes pairs and the photocorrosion of Ag 3 PO 4 .
研究领域:
环境科学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
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2019
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IF 4.527
Chenlu Fu,Hongling Zhang,Mingzhu Xia,Wu Lei,Fengyun Wang
An eco-friendly corncob biochar based montmorillonite composite (Cc-Mt) was synthesized for the single adsorption and co-adsorption of lead (Pb(II)) and a pharmaceutical emerging organic contaminant Atenolol (ATE). In single adsorption system, the maximum equilibrium capacity of Cc-Mt for Pb (II) and ATE were 139.78 mg g −1 and 86.86 mg g −1 , respectively, but for montmorillonite just 98.69 mg g −1 and 69.68 mg g −1 , for corncob biochar just 117.54 mg g −1 and 47.29 mg g −1 . Meanwhile,co-adsorption properties of ATE and Pb(II) on Cc-Mt composite were performed and found that the influence of ATE on the adsorption of Pb(II) was greater than the effect of Pb(II) on that of ATE. Moreover, Multiwfn program based on quantum chemical calculation was used to quantitatively analyze electrostatic potential (ESP) distribution, average local ionization energy (ALIE) distribution and their minimum points on neutral ATE and protonated ATE (PATE) molecules to reveal the microscopic adsorption mechanism of Cc-Mt composite to ATE, the results showed that the amino N and amide oxygen atom were easier to provide lone pair of electrons, generating hydrogen bonds or strong electrostatic interactions with functional groups on the surface of Cc-Mt, meanwhile hydroxyl O atom was also a possible reaction site. For PATE molecules, only the oxygen atom of the amide group was the most likely reactive site.
研究领域:
环境科学
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化学
✓ 已验证
DOI
高影响因子
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
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2021
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IF 6.291
Wenyan Shi,Yuting Chu,Mingzhu Xia,Fengyun Wang,Chenlu Fu
MoS 2 /montmorillonite (MoS 2 /Mt) composite was successfully synthesized through a simple hydrothermal method, and its adsorption performance for two emerging contaminants-atenolol (ATE) and acebutolol (ACE) was researched. The batch experiments revealed that the adsorption process can be described by the Pseudo-second order model and Langmuir model, and the adsorption capacity of MoS 2 /Mt, MoS 2 and Mt for ATE were 132.08 mg/g, 60.68 mg/g and 74.23 mg/g, for ACE were 113.82 mg/g, 33.01 mg/g and 36.05 mg/g, respectively. Besides, Fourier-transform infrared spectroscopy (FTIR), BET specific surface area measurement and X-ray photoelectron spectroscopy (XPS) were also employed to analyze the adsorption mechanism. Moreover, quantitative molecular surface analysis and weak intermolecular interaction analysis with independent gradient model were combined to probe the microscopic interaction between the adsorbent and adsorbate. The results indicated the interactions included hydrogen bonding and vdW interaction. Mt and MoS 2 interacted more strongly with ATE than ACE, which revealed the reason MoS 2 /Mt, Mt and MoS 2 possessed higher adsorption capacity for ATE.
研究领域:
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）