JOURNAL OF INORGANIC BIOCHEMISTRY
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2019
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IF 3.224
Hu Wang,Cungang Xu,Xia Zhang,Dongmei Zhang,Fan Jin,Yuhua Fan
Six novel complexes, [Ni(C 36 H 34 N 2 O 10 )]·2.25CH 3 OH·0.5C 4 H 10 O ( 1 ), [Co(C 36 H 34 N 2 O 10 )] ( 2 ), [Cu(C 36 H 34 N 2 O 10 )]·2CH 3 OH ( 3 ), [Ni(C 36 H 32 N 2 O 8 Cl 2 )]·2CH 3 OH ( 4 ), [Co(C 36 H 32 N 2 O 8 Cl 2 )]·4CH 3 OH ( 5 ) and [Cu(C 36 H 32 N 2 O 8 Cl 2 )]·2CH 3 OH ( 6 ) with two sexidentate N 2 O 4 -donor bis-Schiff base ligands (C 36 H 34 N 2 O 10 = 1,2-bis(2-methoxy-6-formylphenoxy)ethane- l -tyrosine; C 36 H 32 N 2 O 8 Cl 2 = 1,2-bis(2-methoxy-6-formylphenoxy)ethane- l -4-chlorophenylalanine) have been synthesized and structurally characterized. Theoretical calculation of the six complexes was carried out by density functional theory (DFT) Becke's three-parameter hybrid (B3LYP) method employing the 6-3lG basis set, indicating that the calculation results are in accordance with experimental results. Moreover, the inhibitory activities of complexes 1 – 6 were tested in vitro against jack bean urease . At the same time, molecular docking was investigated to determine the probable binding mode. The experimental values and docking simulation exhibited that complexes 3 and 6 showed strong inhibitory activity (IC 50 = 10.36 ± 1.13, 15.63 ± 3.04 μM) compared with the positive reference acetohydroxamic acid (IC 50 = 26.99 ± 1.43 μM). Their structure-inhibitory activity relationship was further discussed from the perspective of molecular docking and theoretical calculation.
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RSC Advances
·
2015
·Vol. 5
·期 65
·52369-52381
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IF 3.84
Zhanchao Liu,Zhaoyong Hu,Yan Liu,Minjia Meng,Liang Ni,Xiangguo Meng,Guoxing Zhong,Fangfang Liu,Yanmin Gao
Utilising a general protocol for making surface-imprinted core–shell microparticles via a RAFT-mediated approach, we developed a Cu(II) imprinted polymer with a novel magnetic nanosphere, γ-Fe2O3@meso-SiO2, as support. Attributed to the controlled/living polymerization mechanism of the RAFT polymerization process, the Cu(II) imprinted polymer prepared by RAFT polymerization (IIP-RAFT) presented a more well-defined morphology, more mono-dispersed properties, and much higher magnetic responsiveness, compared to the Cu(II) imprinted polymer prepared by traditional free-radical polymerization (IIP-TP). Moreover, in the static saturation binding experiments, a higher binding capacity of IIP-RAFT (210 mg g−1) than IIP-TP (145 mg g−1) was also found. Afterwards, a series of adsorption experiments were carried out to systematically evaluate the adsorption performance of the as-prepared IIP-RAFT. And the results showed that IIP-RAFT exhibited excellent selectivity, good reusability and desirable dynamic adsorption behavior, and could be an ideal candidate for SPE sorbents for the removal of Cu(II) in real wastewater.
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JOURNAL OF CHROMATOGRAPHY A
·
2016
·
IF 3.926
Shanshan Wang,Chao Han,Sisi Wang,Lijuan Bai,Shanshan Li,Jianguang Luo,Lingyi Kong
Cu(II) complexed amino acid ionic liquid , Cu(II)-[1-butyl-3-methylimidazolium][L-Pro] (Cu(II)-[BMIm][L-Pro]), was successfully adopted as chiral ligand to improve the enantioseparation efficiency in high speed counter-current chromatography (HSCCC). For the enantioseparation of intractable naringenin (NRG) racemic mixtures, Cu(II)-[BMIm][L-Pro] coupled with hydroxypropyl-β-cyclodextrin (HP-β-CD) was successfully applied as dual chiral selectors in HSCCC. The influence of important parameters, including the concentration of the chiral selectors, the pH value, and the temperature were investigated. Under optimal conditions, 4.5 mg of (+)-NRG and 4.1 mg of (−)-NRG were successfully separated from 10 mg NRG racemic mixtures with the purity of 98%. The chiral recognition mechanism of dual chiral selectors was illuminated by the UV–vis and NMR spectra, suggesting that the enantioseparation was upon the difference of the thermodynamic stability of the quaternary complexes of Cu(II), [BMIm][L-Pro], HP-β-CD, and NRG. The results illustrated that the developed HSCCC system, based on the synergistic mechanism of Cu(II)-[BMIm][L-Pro] and HP-β-CD, exhibited better performance on enantioseparation and had great application potential in preparative chiral separation of natural products.
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JOURNAL OF MOLECULAR STRUCTURE
·
2024
·
IF 4
Hu Wang,Pengxiao Guo,Yadong Zhou,Chaochuang Yin,Yizhu Lei,Renshu Wang,Yinyan Wang,Tingting Wu,Ziao Zong
Two mononuclear Copper(II) complexes, identified as [Cu(C 10 H 8 NO 4 F)(C 6 H 7 N)] ( C1 ) and [Cu(C 10 H 8 NO 4 F)(C 12 H 8 N 2 )]·H 2 O·CH 3 OH ( C2 ), incorporating a tridentate Schiff-base ligand with an ONO coordination (C 10 H 8 NO 4 F = 5-fluoro-2-hydroxybenzylidene-L‑serine) and two unique auxiliary ligands (C 6 H 7 N = 4-methylpyridine and C 12 H 8 N 2 = 1,10-phenanthroline) were developed and detailed structurally. Density functional theory (DFT) evaluations of these complexes employed Becke's three-parameter hybrid (B3LYP) approach within the Gaussian 16 computational package. The outcomes from computational analysis corresponded with experimental data. Additionally, the inhibition capabilities of complexes C1 and C2 were evaluated in vitro targeting jack bean urease. Simultaneously, molecular docking was utilized to determine potential binding interactions. Experimental results and docking analyses showed that C1 had considerable inhibitory strength (IC 50 = 2.44 ± 0.15 μM) relative to the benchmark control, acetohydroxamic acid (IC 50 = 27.73 ± 2.93 μM). Furthermore, a 100-ns molecular dynamics assessment was performed to examine the interaction stability of urease with C1 and C2 , using the Desmond 2021 tool from Schrödinger. The correlation between structural configurations and inhibition efficacy was further explored through molecular docking, density functional theory analysis, and molecular dynamics evaluations.
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ENVIRONMENTAL RESEARCH
·
2023
·
IF 8.3
Fan Wang,Yueying Zheng,Xinggang Wei,Dawei Lan,Jintao Zhu,Yingjie Chen,Ziquan Wo,Tao Wu
This study designed a composite material with internal synergistic effects among multiple components to achieve highly selective adsorption of Cu (II). Through controlled synthesis, the Fe 3 O 4 /MnO 2 (3 1 0)/ZIF-67 composite was successfully fabricated, leading to significant improvement in adsorption selectivity , capacity, and adsorption rate. The experimental results showed that the composite is of outstanding selectivity in the adsorption of Cu (II), with a partition coefficient K of Cu (II) that was 2.2–5.3 times higher than that of other coexisting ions. Moreover, the composite exhibited a remarkable adsorption capacity of 1261.0 mg g −1 and a fast adsorption rate of 840.7 mg g −1 h −1 at 298 K. Additionally, its magnetic property facilitated easy separation from wastewater, thereby enhancing its potential for commercial applications. The synergetic effect mechanism was analyzed through characterizations and DFT calculations. Furthermore, the recyclability of the composite was investigated, which showed that after seven cycles, the adsorption efficiency remained at 85% of its initial efficiency. It can be concluded that Fe 3 O 4 /MnO 2 (3 1 0)/ZIF-67 has potential to address challenges posed by heavy metal pollution in copperplating effluents.
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FOOD CHEMISTRY
·
2026
·
IF 10.4
Chunhua Li,Xieyang Zhang,Zihao Meng,Yafei Li,Zhonghong Li
Achieving the integration of detection and removal for Cu(II) and Cr(VI). • Cr(VI) is captured by amino groups of MDS and partially reduced to Cr(III). • Pyridine and amino of aerogel provided coordination sites to capture Cu(II). • Biocompatible aerogel has low cytotoxicity for L929 cells. • Detection and removal have no obvious effect on the quality of apple juice. Heavy metal pollution in food, particularly Cu(II) and Cr(VI), poses a significant threat to human health. A bifunctional composite aerogel (MDS) is successfully synthesized, immobilizing a 5,5′-diamino-2,2′-bipyridine (dabpy) post-modified MOF-808 within a sodium alginate (SA) aerogel for sensitive detection and efficient removal of heavy metal ions in apple juice. Mechanism studies reveal that pyridinic N and NH 2 in MDS display a high affinity for Cu(II), while Cr(VI) exhibits an electrostatic attraction to the protonated NH 2 . The interaction process triggers electron transfer, which leads to fluorescence quenching. MDS aerogel shows detection of Cu(II) and Cr(VI) with low limits of detection, and adsorption capacities of 354.91 mg/g for Cu(II) and 258.62 mg/g for Cr(VI). The MDS aerogel removal efficiency exceeded 94% in apple juice. In vitro cytotoxicity assays indicate low cytotoxicity of MDS. This work offers a potential bifunctional platform for heavy-metal sensing and removal in food matrices. Download: Download high-res image (135KB) Download: Download full-size image
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Journal of Environmental Chemical Engineering
·
2024
·
IF 7.4
Aizhong Jia,Chenglong Chi,Wei Dong,Xiangyu Xu,Huiliu Zhang
The extensive use of copper leads to the generation of a large amount of copper-containing wastewater, which poses a serious threat to both biological health and the environment. Therefore, recovery and reutilization of Cu from wastewater is of great practical significance for humans. In this study, the novel hierarchically ion-imprinted microsphere (H-Cu-IIP) and surface ion-imprinted microsphere (Cu-IIP) were successfully prepared from alginate/silica composite materials for the selective recovery of Cu(II). Both synthesized materials were characterized using various techniques including FT-IR, SEM, BET, TGA, and XPS, and their adsorption properties for Cu(II) were evaluated in terms of pH, adsorption kinetics, adsorption isotherm, selective adsorption, and stability. The results showed that H-Cu-IIP and Cu-IIP achieved excellent equilibrium adsorption capacities of 390.6 mg/g and 358.4 mg/g, respectively, with high selectivity and good stability, and could effectively remove Cu(II) even in actual water environments. The Langmuir model and pseudo-second-order equation can well describe adsorption isotherms and kinetics, respectively. In addition, the catalysts derived from the Cu(II)-loaded adsorbents through simple calcination exhibits excellent catalytic efficiency for photocatalytic reduction of CO 2 . These findings suggest that the proposed method is a promising approach for the selective recovery and reuse of Cu(II) from wastewater, aligning with the principles of green and sustainable practices.
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CHEMICAL ENGINEERING JOURNAL
·
2022
·
IF 16.744
Jingjing Ren,Liuchun Zheng,Yaoming Su,Peipei Meng,Qianya Zhou,Hao Zeng,Tao Zhang,Huajian Yu
In order to treat heavy metal pollutants in acid mine drainage, zero-valent iron/phosphoric titanium dioxide (PTO-3nZVI and PTO-nZVI) was developed with phosphoric acid treatment and loading of zero valent iron and showed excellent adsorption of heavy metals. PTO-3nZVI and PTO-nZVI greatly improved the adsorption capacity for the targeted heavy metal Cd(II) (308 mg·g −1 for PTO-3nZVI and 206 mg·g −1 for PTO-nZVI) through complexation and coprecipitation. Additionally, competitive adsorption occurred between Cd(II) and coexisting heavy metal ions (Pb(II) and Cu(II)), resulting in different adsorption effects for PTO-3nZVI and PTO-nZVI, and their adsorption efficiencies decreased in the order Cu(II) > Pb(II) > Cd(II) for PTO-3nZVI and Pb(II) > Cu(II) > Cd(II) for PTO-nZVI. Based on these two aspects, X-ray photoelectron spectrometer (XPS) analyses and Density Functional Theory (DFT) calculations were used to characterize the adsorption behaviors of PTO-3nZVI and PTO-nZVI. In particular, competitive relationships for different heavy metals were clearly revealed by binding energies, Frontier Molecular Orbitals (FMOs) analyses, electrostatic potentials, and total potential and differential charge analyses of adsorption sites, binding sites and binding strengths.
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MOLECULES
·
2020
·Vol. 26
·期 1
·109
·
IF 3.267
Hong-Juan Liu,Rui Yi,Dong-Mei Chen,Chao Huang,Bi-Xue Zhu
Four complexes, [Cu4L2(OCH3)2(CH3OH)2]·2H2O (1), [Zn2L2Cl4]·2H2O·2CH3OH (2), [Hg2L2Br4]·4CH3OH (3), and {[CdL2Cl2]·4H2O·4CH3OH}n(4), have been synthesized and characterized from a bis(pyridylhydrazone) ligand (L) with copper(II), zinc(II), mercury(II) or cadmium(II), respectively. Complex1exists as a centrosymmetric tetranuclear dimer withLas deprotonated tridentate ligand. Complexes2and3exist as centrosymmetric metallamacrocycles withLas bidentate ligand. Complex4exists as a 1D looped-chain coordination polymer. The thermal stabilities and vapor adsorption properties of the four complexes were investigated as well.Keywords:pyridylhydrazone;complex;crystal structure;vapor adsorption
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CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Zhijie Wu,Jing Zou,Sheng Li,Linfeng He,Qingsong Li,Zhenming Zhou,Yao Huang,Zhimin Yang,Jun Ma
Although Cu(II) can trigger peroxymonosulfate (PMS) oxidation of pollutants, it is only effective under alkaline environments and is susceptible to interference by aqueous matrix components. In this study, cysteine, a natural thiol and amino acid, was found to greatly improve the performance of tetrabromobisphenol A (TBBPA) elimination in the Cu(II)/PMS system across a broad pH range of 4.0–12.0. The cysteine/Cu(II)/PMS system achieved a 94.34 % elimination of TBBPA within 10 min at pH 7.0, which had a 7.55-fold increase in efficiency relative to the Cu(II)/PMS system, and superior to the previously-reported hydroxylamine and gallic acid-enhanced Cu(II)/PMS systems. Cu(III)-(cysteine) 2 , as opposed to radicals, was the main reactive species leading to the removal of TBBPA, contributing at least 91.53 %. Cysteine first coordinated with Cu(II) through sulfhydryl groups (−SH) and rapidly converted Cu(II)-(cysteine) 2 to Cu(I)-(cysteine) 2 , then Cu(III)-(cysteine) 2 was formed finally by the further oxidation of PMS on Cu(I)-(cysteine) 2 . This enhancement was further extended to other thiols including cysteamine, β-mercaptoethanol and mercaptosuccinic acid. Four potential degradation pathways of TBBPA were inferred from the determined nine degradation intermediates. A marked decline in the toxicity of the reaction solutions was observed after the elimination of TBBPA. Furthermore, the cysteine/Cu(II)/PMS system shown high anti-interference performance with common cations and anions (Ca(II), Mg(II), NO 3 – , SO 4 2– , HCO 3 – and Cl – ), humic acid and actual water samples. Overall, this study provided a promising approach to extend the working pH range of Cu(II)/PMS system and its anti-interference capability with actual water matrix, which was favorable for its potential utilization in water treatment.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2016
·
IF 3.782
Zhuo Guo,Dong-di Li,Xian-ke Luo,Ya-hui Li,Qi-Nai Zhao,Meng-meng Li,Yang-ting Zhao,Tian-shuai Sun,Chi Ma
The reduced graphene oxide (RGO) and Chitosan (CS) hybrid matrix RGO-CS were coated onto the glassy carbon electrode (GCE) surface, then, poly- l -lysine films (PLL) were prepared by electropolymerization with cyclic voltammetry (CV) method to prepare RGO-CS/PLL modified glassy carbon electrode (RGO-CS/PLL/GCE) for the simultaneous electrochemical determination of heavy metal ions Cd(II), Pb(II) and Cu(II). Combining the advantageous features of RGO and CS, RGO and CS are used together because the positively charged CS can interact with the negatively changed RGO to prevent their aggregation. Furthermore, CS has many amino groups along its macromolecular chains and possessed strongly reactive with metal ions. Moreover, PLL modified electrodes have good stability, excellent permselectivity, more active sites and strong adherence to electrode surface, which enhanced electrocatalytic activity . The RGO-CS/PLL/GCE was characterized voltammetrically using redox couples (Fe(CN) 6 3−/4− ), complemented with electrochemical impedance spectroscopy (EIS). Differential pulse anodic stripping voltammetry (DPASV) has been used for the detection of Cd(II), Pb(II) and Cu(II). The detection limit of RGO-CS/PLL/GCE toward Cd(II), Pb(II) and Cu(II) is 0.01 μg L −1 , 0.02 μg L −1 and 0.02 μg L −1 , respectively. The electrochemical parameters that exert influence on deposition and stripping of metal ions, such as supporting electrolytes , pH value, deposition potential, and deposition time, were carefully studied.
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