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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY · 2021 · IF 4.098

Binding mechanism of 4−octylphenol with human serum albumin: Spectroscopic investigations, molecular docking and dynamics simulation

Guowen Zhang,Na Li,Ying Zhang,Junhui Pan,Deming Gong

4−Octylphenol (OP) is an environmental estrogen that can enter organisms through the food chain and cause various toxic effects. Here, the interaction between OP and human serum albumin (HSA) was explored through multipectral, molecular docking and dynamics simulation. The results showed that OP and HSA formed a ground state complex through a static quenching mechanism, and the interaction was spontaneously driven by hydrogen bonds and hydrophobic interaction forces. The binding constant at different temperatures was measured to be on the order of 10 5 L mol −1 . Site competition experiments suggested that OP interacted with amino acid residues Lys195, Cy245 and Cys246 located at the Sudlow site I of HSA, resulting in a more stretched protein peptide. The presence of OP increased the surface hydrophobicity of HSA, and reduced the content of α-helix in HSA by 3.4%. FT−IR spectra showed that OP interacted with the C=O and C-H groups of the polypeptide backbone. Molecular docking demonstrated that OP mainly bound to Site I of HSA and hydrogen bonds participated in the interaction. In addition, molecular dynamics simulations further explored the stability and dynamic behavior of the OP−HSA complex through RMSD, RMSF, SASA and Rg.

研究领域: 生物化学 · 环境科学 · 分子生物学
✓ 已验证 DOI PubMed 高影响因子
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SEPARATION AND PURIFICATION TECHNOLOGY · 2017 · IF 3.359

Sensitive determination of bisphenol A, 4-nonylphenol and 4-octylphenol by magnetic solid phase extraction with Fe@MgAl-LDH magnetic nanoparticles from environmental water samples

Qingxiang Zhou,Man Lei,Jing Li,Kuifu Zhao,Yongli Liu

Mg-Al-layered double hydroxide (Mg-Al-LDH) modified nanoscale zero-valent iron (NZVI) (Fe@MgAl-LDH) was firstly synthesized and characterized by several techniques. The results showed that the layered double hydroxides were coated on the surface of nanoscale zero-valent iron particles. This new material exhibited good adsorption for bisphenol A, 4-octylphenol and 4-nonylphenol from water samples. Based on these, a sensitive method was developed for the extraction and preconcentration of bisphenol A, 4-octylphenol and 4-nonylphenol using magnetic Fe@MgAl-LDH nanoparticles as the solid phase extraction adsorbents prior to high performance liquid chromatography coupled with variable wavelength detection. Under the optimal conditions, linear responses were achieved in the range of 0.5–200   μg   L −1 with the correlation coefficients (r) above 0.999. The detection limits of three analytes were in the range of 0.24–0.34   μg   L −1 , and precisions were all below 2.5% (n   =   6). The proposed method was evaluated with real water samples and the excellent spiked recoveries in the range of 96.0–99.3% were achieved.

研究领域: 环境科学 · 分析化学
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RAPID COMMUNICATIONS IN MASS SPECTROMETRY · 2017 ·Vol. 31 ·期 11 ·937-950 · IF 1.998

Rapid and sensitive determination of multiple endocrine-disrupting chemicals by ultrasound-assisted in situ derivatization dispersive liquid–liquid microextraction coupled with ultra-high-performance liquid chromatography/tandem mass spectrometry

Na Wei,Zhenjia Zheng,Yuhua Wang,Yanduo Tao,Yun Shao,Shuyun Zhu,Jinmao You,Xian-En Zhao

Rationale Endocrine-disrupting chemicals (EDCs) in environment samples and food stuffs are an increasing serious public health issue due to their potency to interfere and deregulate several aspects of the endocrine system. Because of their extremely low abundance, it remains a challenging task to develop a sensitive detection method. Methods 4'-Carbonyl chloride rosamine (CCR) was used as a derivatization reagent for EDCs for the first time. A new ultrasound-assisted in situ derivatization/dispersive liquid-liquid microextraction (UA-DLLME with in situ derivatization) method for multiple EDCs including five estrogens, two alkylphenols, eight bisphenols, seven parabens and triclosan coupled with ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS) has been developed and validated. Results The ionization efficiency of EDCs was greatly enhanced through the introduction of a permanent charged moiety of CCR into the derivatives during electrospray ionization (ESI)-MS analysis. The main variables potentially affecting the UA-DLLME with in situ derivatization process are optimized. The recoveries and matrix effects of 23 EDCs for the spiking samples were in the range of 83.0–116.0% and 85.8–114.6%, respectively. Good method reproducibility was achieved. Conclusions The limits of detection (LODs) for 23 EDCs were 0.05–0.40 ng/L and 0.03–0.25 ng/g (dry weight, d.w.) for environment samples and food stuffs, respectively. The proposed method has been demonstrated to be suitable for simultaneous determination of multiple EDCs in real samples with high sensitivity, speediness, and good sample clean-up ability. Copyright © 2017 John Wiley & Sons, Ltd.

研究领域: 环境科学 · 分析化学 · 毒理学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ELECTROCHIMICA ACTA · 2015 · IF 4.504

Cobalt-nickel bimetallic nanoparticles decorated graphene sensitized imprinted electrochemical sensor for determination of octylphenol

Fang Long,Zhaohui Zhang,Jing Wang,Liang Yan,Biwu Zhou

A novel imprinted electrochemical sensor was prepared based on cobalt-nickel bimetallic nanoparticles by one-step electrodeposited on graphene modified carbon electrode for the sensitive determination of octylphenol. Graphene nanosheets were firstly deposited onto carbon electrode surface by electrochemistry reduction method. Then the cobalt-nickel bimetallic nanoparticles were electrodeposited on the graphene modification electrode surface. The electrochemical behaviors of the imprinted sensor were evaluated with cyclic voltammetry and electrochemical impedance spectroscopy in detail. The results showed that the prepared imprinted sensor displayed high sensitivity toward octylphenol attributing to the synergetic effect derived from the cobalt-nickel bimetallic nanoparticles and graphene. Under the optimized condition, the response currents of the imprinted sensor exhibited a linear relationship toward the negative logarithm of concentrations (С [OP] ) ranged from 1.0   ×   10 −10 to 1.0   ×   10 −7   mol   L −1 (R   =   0.998) with the detection limit of 3.6   ×   10 −11   mol   L −1 (S/N   =   3). The imprinted electrochemical sensor was applied for the determination of octylphenol in plastic bottles, metal bottles and food packaging bags successfully.

研究领域: 分析化学 · 环境科学 · 材料科学
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MICROCHIMICA ACTA · 2019 ·Vol. 186 ·期 12 ·1-9 · IF 5.479

Core-shell hollow spheres of type C@MoS2 for use in surface-assisted laser desorption/ionization time of flight mass spectrometry of small molecules

Zhao Yanfang,Xie Hanyi,Zhao Mei,Li Huijuan,Chen Xiangfeng,Cai Zongwei,Song Hexing

Mesoporous carbon hollow spheres coated with MoS 2 (C@MoS 2 ) were synthesized to obtain a material with large specific surface area, fast electron transfer efficiency and good water dispersibility. The composite material was applied as a matrix for the analysis of small molecules by surface-assisted laser desorption/ionization time-of-flight mass spectrometry (SALDI-TOF MS). The use of a core-shell C@MoS 2 matrix strongly reduces matrix background interferences and increases signal intensity in the analysis of sulfonamides antibiotics (SAs), cationic dyes, emodin, as well as estrogen and amino acids. The composite material was applied to the SALDI-TOF MS analysis of selected molecules in (spiked) real samples. The ionization mechanism of the core-shell C@MoS 2 as a matrix is discussed. The method exhibits low fragmentation interference, excellent ionization efficiency, high reproducibility and satisfactory salt tolerance. Schematic representation of the method for fabrication of MoS 2 -coated mesoporous carbon hollow spheres (core-shell C@MoS 2 ). As a new matrix, the nanocomposites were applied to analysis of small molecules by surface-assisted laser desorption/ionization time-of-flight mass spectrometry.

研究领域: 分析化学 · 材料科学 · 质谱技术
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JOURNAL OF CHROMATOGRAPHY A · 2019 · IF 3.858

Solid phase extraction of carbamate pesticides with porous organic polymer as adsorbent followed by high performance liquid chromatography-diode array detection

Xiaolan Wang,Xufeng Meng,Qiuhua Wu,Chun Wang,Zhi Wang

A solid phase extraction (SPE) method with a porous organic polymer as adsorbent was established for the extraction of five carbamate pesticides (metolcarb, carbaryl, isoprocarb, bassa and diethofencarb) from milk, white wine and juice samples prior to high performance liquid chromatography-diode array detection. The main factors affecting the SPE were optimized, including sample volume, sample loading rate, sample solution pH, desorption conditions and cartridge reusability. Under the optimal conditions, a good linearity existed in the range from 1.0 to 320.0 ng mL −1 for milk and white wine samples and from 0.5 to 160.0 ng mL −1 for juice sample with the correlation coefficients between 0.9956 and 0.9998. The method recoveries of the carbamates were 82.0%–110.0%. The limits of detection were 0.12-0.40 ng mL -1 for milk and white wine samples, and 0.06-0.20 ng mL −1 for juice sample. The adsorption mechanism of the adsorbent was investigated by the extraction of different types of organic compounds (carbamates, benzoylurea insecticides, endocrine disrupting chemicals and polycyclic aromatic hydrocarbons) with the adsorbent. The results showed that the existence of the hydrogen-bonding between the adsorbent and the analytes is favorable for the adsorption and strong hydrophobicity seems to have an adverse effect.

研究领域: 分析化学 · 环境科学 · 食品科学 · 农药分析
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FOOD CHEMISTRY · 2018 · IF 4.946

Cationic gemini surfactant-resorcinol-aldehyde resin and its application in the extraction of endocrine disrupting compounds from food contacting materials

Shijuan Zhang,Ting Xu,Qian Liu,Jiammin Liu,Fengli Lu,Mingbo Yue,Yanxin Li,Zhiwei Sun,Jinmao You

A new cationic gemini surfactant-resorcinol/formaldehyde resin was designed and synthesized. Cationic gemini surfactant was introduced into the resorcinol/formaldehyde resin for the first time and led to the retention of negatively charged endocrine disrupting compounds (EDCs) through electrostatic interactions, hydrogen bonding and π-π interactions. The synthesized material showed good performance in the dispersive micro-solid phase extraction (D-μ-SPE) of EDCs such as alkylphenol and phenoxy acid herbicides from food packaging migrants. Extraction parameters such as pH, adsorbent dose, extraction time and salting out effect were optimized. The limits of detections were in the range of 0.5–0.8 ng/mL, and the recoveries were in the range of 90–100%. The developed method was applied to the analysis of EDCs from food contacting materials migrants with pentachlorophenol, 2,4-dichlorophenoxyacetic acid and bisphenol A detected in the concentration range of 0.2–1.2 mg/kg. It also showed great potential in the D-μ-SPE of other compounds with negative charge or high hydrophobicity.

研究领域: 分析化学 · 环境科学 · 食品科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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TALANTA · 2013 · IF 3.498

Molecularly imprinted electrochemical sensor based on amine group modified graphene covalently linked electrode for 4-nonylphenol detection

Hong-Jun Chen,Zhao-Hui Zhang,Rong Cai,Xing Chen,Yu-Nan Liu,Wei Rao,Shou-Zhuo Yao

In this work, an imprinted electrochemical sensor based on electrochemical reduced graphene covalently modified carbon electrode was developed for the determination of 4-nonylphenol (NP). An amine-terminated functional graphene oxide was covalently modified onto the electrode surface with diazonium salt reactions to improve the stability and reproducibility of the imprinted sensor. The electrochemical properties of each modified electrodes were investigated with differential pulse voltammetry (DPV). The electrochemical characteristic of the imprinted sensor was also investigated using electrochemical impedance spectroscopy (EIS) in detail. The response currents of the imprinted electrode exhibited a linear relationship toward 4-nonylphenol concentration ranging from 1.0×10 −11 to 1.0×10 −8   g   mL −1 with the detection limit of 3.5×10 –12   g   mL −1 (S/N=3). The fabricated electrochemical imprinted sensor was successfully applied to the detection of 4-nonylphenol in rain and lake water samples.

研究领域: 环境科学 · 分析化学
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JOURNAL OF CHROMATOGRAPHY A · 2013 · IF 4.612

Hollow fiber liquid-liquid-liquid microextraction combined with high performance liquid chromatography-ultraviolet detection for the determination of various environmental estrogens in environmental and biological samples

Beibei Chen,Yunlin Huang,Man He,Bin Hu

A new method of hollow fiber liquid-liquid-liquid microextraction (HF-LLLME) combined with high performance liquid chromatography-ultraviolet detection (HPLC-UV) was developed for simultaneous analysis of various environmental estrogens. Taking eight environmental estrogens (17β-estradiol (E2), estrone (E1), estriol (E3), 17α-ethynylestradiol (EE), diethylstilbestrol (DES), dienestrol (DIS), bisphenol-A (BPA) and 4-t-octylphenol (OP)) as the target analytes, the factors affecting HF-LLLME-HPLC-UV were investigated in detail. Under the optimized experimental conditions, the extraction efficiency of HF-LLLME for eight target estrogens was in the range of 13.9–62.8%, and the enrichment factor was 88–376-fold. The limits of detection (LODs) of the proposed method for eight target estrogens of ES, BPA, E2, EE, E1, DES, DIS and OP were 0.11, 0.055, 0.66, 0.55, 0.51, 0.20, 0.11 and 1.46   ng/mL, respectively, which are lower than that obtained by some other sample pretreatment methods followed by HPLC-UV analysis. The relative standard deviations of the method (RSDs, c E3, BPA, DIS   =5   ng/mL, c E1, E2, EE, OP   =   40   ng/mL, c DES   =   15   ng/mL, n   =   7) are in the range of 5.5–8.4%. The developed method was applied for the determination of environmental estrogens in environmental and biological samples (sediment and fish), and none of the eight target estrogens was detected. The recoveries for the spiking samples with low, medium and high spiking levels were in the range of 73.2–117.5%. The proposed method has been demonstrated to be suitable for simultaneous determination of multiple environmental estrogens with high sensitivity, high enrichment factors, good sample clean-up ability and no derivatization required.

研究领域: 分析化学 · 环境科学 · 生物医学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Analytical Methods · 2014 ·Vol. 6 ·期 16 ·6316-6321 · IF 1.938

Thin-film microextraction for the preconcentration of some endocrine disrupting chemicals in aqueous samples before chromatographic analysis

Meng Sun,Qiuhua Wu,Chun Wang,Zhi Wang

Poly(vinylidene fluoride) (PVDF) has attracted enormous attention as a membrane material with regard to its excellent properties in recent years. In this paper, a new sample preparation technique, the PVDF membrane as the extraction phase, has been applied to the extraction of four endocrine-disrupting compounds: bisphenol A (BPA), 4-t-octylphenol (4-t-OP), nonylphenol (NP), and 4-nonylphenol (4-NP) from water samples for the first time, prior to their determination by high performance liquid chromatography-ultraviolet detection. Some important experimental parameters affecting the extraction efficiency were optimized. Good linearity was observed over the concentration range of 1.0–100.0 ng mL−1 for BPA, and 2.0–100 ng mL−1 for 4-t-OP, NP and 4-NP with the correlation coefficients (r) greater than 0.9934. The limit of detection (S/N = 3) of the method was 0.2 ng mL−1 for BPA and 0.4 ng mL−1 for 4-t-OP, NP and 4-NP. The method is convenient, cost effective and can be a useful alternative approach for the extraction and determination of the endocrine-disrupting compounds in water samples.

研究领域: 分析化学 · 环境科学
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MICROCHIMICA ACTA · 2014 ·Vol. 181 ·期 11 ·1223-1230 · IF 3.719

Strong enhancement of the electrochemiluminescence of luminol by AuAg and PtAg alloy nanoclusters, and its sensitization by phenolic artificial oestrogens

Wang Ke,Wei Xiuhua,Tu Yifeng

This paper reports on the synthesis of AuAg and PtAg alloy nanoclusters (NCs) and their enhancement effect on the electrochemiluminescence (ECL) of luminol. The conditions of synthesis were optimized, and the structure and properties of the NCs were characterized by X-ray diffraction, transmission electron microscopy, electrochemistry, and optical spectroscopy. The NCs are found to intensify (by up to 20 times) the ECL of luminol in solution of pH 8.5. This finding can largely extend the useful pH range of the ECL of luminol. The enhanced ECL is strongly affected by oxygen and hydrogen peroxide, and the mechanism of enhancement is attributed to the accelerated production of reactive oxygen species. The enhanced ECL is also affected by phenolic artificial estrogens, and this was used for their determination with detection limits as low as 700 pg L− 1 (with AuAg) and 1.6 ng L− 1 (with PtAg). The method was applied to the determination of such estrogens in egg samples using diethylstilbestrol as a reference substance. The alloy nanoclusters (AuAg/PtAg) have been synthesized. They enhance the electrochemiluminescence of luminal for about 20 times in pH 8.5 solution. It extended the practicable pH range of ECL and can be employed for detecting the oxygen matters and other related trace compounds.

研究领域: 分析化学 · 环境科学 · 生物医学
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MICROCHEMICAL JOURNAL · 2022 · IF 5.304

Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants

Yan Wu,Panpan Cao,Yanhao Jiang,Yanjuan Liu,Yuefei Zhang,Wei Chen,Zhengwu Bai,Sheng Tang

Nowadays, the efficient detection of environmental organic pollutants has been a research focus in the field of chromatographic analysis . In this work, aminopropylimidazole was designedly introduced to adjust the hydrophobicity of the long-chain alkyl group , and a novel chromatographic stationary phase for the separation and analysis of environmental organic pollutants was specially prepared. Specifically, the waste aminopropyl silica gel (5 μm) was first recycled as the raw material, which was calcined at high temperature and then acidified with hydrochloric acid solution to obtain the activated silica gel. Afterwards, a new type of aminopropylimidazole/dodecyl dual-functionalized silica stationary phase (Sil-API-DD) was synthesized via one-pot reaction of the activated silica gel with 3-chloropropyltrimethoxysilane, dodecyltrimethoxysilane and 1-(3-aminopropyl)imidazole. The separation performance of Sil-API-DD was evaluated using environmental organic pollutants as the model analytes, and the results showed that an effective separation of seven alkylphenols, five bisphenols , six phthalates , seven steroid hormones and six benzophenones in reversed-phase chromatography was achieved. Moreover, the developed Sil-API-DD was found to exhibit more flexible selectivity and superior separation efficiency compared with the commercial C18 column under the tested conditions, suggesting a good application prospect.

研究领域: 分析化学 · 环境科学
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