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Nature Chemical Biology · 2022 ·Vol. 18 ·期 11 ·1196-1203 · IF 16.174

Structures of the ADGRG2–Gs complex in apo and ligand-bound forms

Lin Hui,Xiao Peng,Bu Rui-Qian,Guo Shengchao,Yang Zhao,Yuan Daopeng,Zhu Zhong-Liang,Zhang Chuan-Xin,He Qing-Tao,Zhang Chao,Ping Yu-Qi,Zhao Ru-Jia,Ma Chuan-Shun,Liu Chang-Hao,Zhang Xiao-Ning,Jiang Dan,Huang Shaohui,Xi Yue-Tong,Zhang Dao-Lai,Xue Chen-Yang,Yang Bai-Sheng,Li Jian-Yuan,Lin Hao-Cheng,Zeng Xu-Hui,Zhao Han,Xu Wen-Ming,Yi Fan,Liu Zhongmin,Sun Jin-Peng,Yu Xiao

Adhesion G protein-coupled receptors are elusive in terms of their structural information and ligands. Here, we solved the cryogenic-electron microscopy (cryo-EM) structure of apo-ADGRG2, an essential membrane receptor for maintaining male fertility, in complex with a G s trimer. Whereas the formations of two kinks were determinants of the active state, identification of a potential ligand-binding pocket in ADGRG2 facilitated the screening and identification of dehydroepiandrosterone (DHEA), dehydroepiandrosterone sulfate and deoxycorticosterone as potential ligands of ADGRG2. The cryo-EM structures of DHEA–ADGRG2–G s provided interaction details for DHEA within the seven transmembrane domains of ADGRG2. Collectively, our data provide a structural basis for the activation and signaling of ADGRG2, as well as characterization of steroid hormones as ADGRG2 ligands, which might be used as useful tools for further functional studies of the orphan ADGRG2.

CAS / MDL: 53-16-7
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FOOD AND CHEMICAL TOXICOLOGY · 2023 · IF 4.3

Bisphenol analogues inhibit human and rat 17β-hydroxysteroid dehydrogenase 1: 3D-quantitative structure-activity relationship (3D-QSAR) and in silico docking analysis

Sailing Chen,Shaowei Wang,Jingyi Zheng,Han Lu,Huiqian Chen,Yunbing Tang,Nan Wang,Yang Zhu,Yiyan Wang,Ping Duan,Ren-shan Ge

Bisphenols , estrogenic endocrine-disrupting chemicals, disrupt at least one of three endocrine pathways (estrogen, androgen, and thyroid). 17β-Hydroxysteroid dehydrogenase 1 (17β-HSD1) is a steroidogenic enzyme that catalyzes the activation of estradiol from estrone in human placenta and rat ovary. However, whether bisphenols inhibit 17β-HSD1 and the mode of action remains unclear. This study we screened 17 bisphenols for inhibiting human 17β-HSD1 in placental microsomes and rat 17β-HSD1 in ovarian microsomes and determined 3D-quantitative structure-activity relationship (3D-QSAR) and mode of action. We observed some bisphenols with substituents were found to significantly inhibit both human and rat 17β-HSD1 with the most potent inhibition on human enzyme by bisphenol H (IC 50  = 0.90 μM) when compared to bisphenol A (IC 50  = 113.38 μM). Rat enzyme was less sensitive to the inhibition of bisphenols than human enzyme with bisphenol H (IC 50  = 32.94 μM) for rat enzyme. We observed an inverse correlation between IC 50 and hydrophobicity (expressed as Log P). Docking analysis showed that they bound steroid-binding site of 17β-HSD1. The 3D-QSAR models demonstrated that hydrophobic region, hydrophobic aromatic, ring aromatic, and hydrogen bond acceptor are key factors for the inhibition of steroid synthesis activity of 17β-HSD1.

CAS / MDL: 53-16-7 50-28-2
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JOURNAL OF ENVIRONMENTAL MANAGEMENT · 2023 · IF 8.7

Biochemical responses of freshwater microalgae Chlorella sorokiniana to combined exposure of Zn(Ⅱ) and estrone with simultaneous pollutants removal

Dongyang Liu,Hanzhi Wang,Yue Teng,Qirui Wu,Chunming Tang,Xinxin Gao,Chaoqi Chen,Liandong Zhu

With the development of livestock industry , contaminants such as divalent zinc ions (Zn (Ⅱ)) and estrone are often simultaneously detected in livestock wastewater. Nevertheless, the combined toxicity of these two pollutants on microalgae is still unclear. Moreover, microalgae have the potential for biosorption and bioaccumulation of heavy metals and organic compounds. Thus, this study investigated the joint effects of Zn (Ⅱ) and estrone on microalgae Chlorella sorokiniana , in terms of growth, photosynthetic activity and biomolecules , as well as pollutants removal by algae. Interestingly, a low Zn (Ⅱ) concentration promoted C . sorokiniana growth and photosynthetic activity, while the high concentration experienced inhibition. As the increase of estrone concentration, chlorophyll a content increased continuously to resist the environmental stress. Concurrently, the secretion of extracellular polysaccharides and proteins by algae increased with exposure to Zn (Ⅱ) and estrone, reducing toxicity of pollutants to microalgae. Reactive oxygen species and superoxide dismutase activity increased as the increase of pollutant concentration after 96 h cultivation, but high pollutant concentrations resulted in damage of cells, as proved by increased MDA content. Additionally, C. sorokiniana displayed remarkable removal efficiency for Zn (Ⅱ) and estrone, reaching up to 86.14% and 84.96% respectively. The study provides insights into the biochemical responses of microalgae to pollutants and highlights the potential of microalgae in pollutants removal.

CAS / MDL: 53-16-7 7446-20-0
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MICROCHEMICAL JOURNAL · 2023 · IF 4.8

Room-temperature synthesis of magnetic thiophene-based covalent organic frameworks for derivatization-assisted GC–MS analysis of estrogens in environmental water

Yue Bao,Yixin Zhai,Siyuan Di,Hailan Qin,Shukui Zhu

Under room temperature conditions, a novel thiophene-based magnetic covalent organic framework (COF) was ingeniously synthesized for the first time, utilizing an uncomplicated and benign Schiff base reaction between 4,4′,4″,4‴-(pyrene-1,3,6,8-tetrayl)tetraaniline (PyTTA) and 2,2′-dithiophene-5,5′-dicarboxaldehyde (BTDA), with Fe 3 O 4 serving as the magnetic nucleus. The fabricated Fe 3 O 4 @Py-BTDA COF nanocomposite displays superior crystallinity, homogenous pore size distribution, elevated magnetic responsiveness, and extraordinary thermal and chemical stability, which is an ideal sorbent for magnetic solid phase extraction (MSPE) of estrogens in environmental water samples. The presence of thiophene groups within the Fe 3 O 4 @Py-BTDA COF significantly bolsters the π-π interaction between the COF and the target analytes, and meanwhile provides sufficient hydrophobic sites and unique p-π interactions, thus becoming a crucial factor in augmenting the extraction efficiency of estrogens. Due to the high boiling point of estrogens, derivatization is necessary before gas chromatography–mass spectrometry (GC–MS) analysis. So, the conditions of derivatization, extraction and desorption were then systematically optimized. Under the optimal MSPE conditions, a rapid and sensitive method coupling MSPE with GC–MS was developed for the analysis of five estrogens in environmental water samples. The method showed good linearity (r 2  > 0.9997) in the range of 0.05–100 μg L −1 , low detection limits (4.0–7.0 ng/L), good spiked recoveries (91.56 %-105.80 %), and satisfactory relative standard deviations (RSD, less than 7.4 %). In addition, the method was successfully applied to the determination of estrogens in Yangtze River water, East Lake water, and tap water, with the recoveries in the range of 81.33 %-113.95 % and the RSDs in the range of 0.12 % to 7.69 % at different spiked levels. Estrone (E1) and estradiol (E2) were detected in the Yangtze River water with concentrations of 0.31 μg L −1 and 0.08 μg L −1 . And, the prepared Fe 3 O 4 @Py-BTDA COF nanocomposite still provides good extraction effect after five cycles of application. The developed method is rapid, simple, sensitive, and environmentally friendly, and has good application in the analysis and determination of estrogens in environmental water samples.

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RSC Advances · 2023 ·Vol. 13 ·期 40 ·27772-27781 · IF 3.9

A “turn-on” fluorescence resonance energy transfer aptasensor based on carbon dots and gold nanoparticles for 17β-estradiol detection in sea salt

Tianrun Qian,Jia Bao,Xuepeng Liu,Gerile Oudeng,Weiwei Ye

17β-estradiol is abused in the food industry. Excess 17β-estradiol can disturb the endocrine system or cause many diseases including obesity, diabetes, cardiac-cerebral vascular disease, and cancers in the human body. A “turn-on” fluorescence resonance energy transfer (FRET) aptasensor based on carbon dots (CDs) and gold nanoparticles (AuNPs) was developed for the detection of 17β-estradiol. A thiol-modified oligonucleotide was conjugated to AuNPs and amino modified oligonucleotide was linked to CDs. The 17β-estradiol aptamer was hybridized with the two oligonucleotides, shortening the distance between CDs and AuNPs. With 360 nm UV light excitation, FRET occurred between CDs and AuNPs. The system was “turn-off”. When 17β-estradiol was detected, the aptamer specifically bound to 17β-estradiol, and the FRET system was destroyed, leading to the “turn-on” phenomenon. The fluorescence intensity recovery was detected in the concentration range of 400 pM to 5.5 μM. The limit of detection (LOD) was 245 pM. The FRET aptasensor demonstrated good selectivity for 17β-estradiol detection. Reasonable spiked recoveries were obtained in sea salt samples. It showed the potential for estrogen detection in food safety and environmental applications.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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TALANTA · 2021 · IF 6.057

Visual-afterglow dual-mode immunochromatographic strip for 17β-estradiol detection in milk

Yi Zhang,Lingling Wang,Wen-Long Wang,Cheng Yang,Yongwei Feng,Xueli Shi

The continuous intake of 17β-estradiol (E2) residue from animal-derived food may pose a threat to the health of consumers, so the rapid screen and detection of E2 is very necessary. Although visual immunochromatographic strip (ICS) has played a great role in food safety control such as the screen of many food contaminants, it cannot meet the requirements for E2 detection due to the insufficient sensitivity of traditional visual ICS and the low concentration range of estrogen in food. Here, we developed a dual-mode ICS strategy to achieve rapid and highly sensitive detection of E2. Based on the visual detection mode of a competitive ICS, the afterglow detection mode working in fluorescence resonance energy transfer mechanism was introduced by using the afterglow particles (APs) as energy donor and gold nanoparticles (AuNPs) as energy acceptor. In this method, large APs of micron size with superior afterglow were applied as the test zone-fixed fluorescence signal source, thus the contradiction between migration and afterglow characteristics was skillfully resolved. In addition, a 6 W UV lamp was used as the light source to excite APs, and a smartphone was used to capture an image of 0.5 s after the UV light was turned off to effectively remove the autofluorescence from the strips and improve the signal-to-noise ratio. The limit of detection of this afterglow mode was 0.5 ng/mL, twenty times more sensitive than that of visual mode (10 ng/mL). The strategy has been successfully applied to the detection of estradiol in milk and verified by HPLC–FLD.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Journal of Chemistry · 2021 · IF 2.506

Carbonized Aramid Fiber as the Adsorbent for In-Tube Solid-Phase Microextraction to Detect Estrogens in Water Samples

Xiaoxiao Zhu,Yijun Zhang,Pengfei Liu,Xiuzhi Bai,Na Chen,Yuping Zhang

Carbonized aramid fiber was prepared as a new type of adsorbent for in-tube solid-phase microextraction. The surface structure, chemical composition, and graphitization degree of the resulted fiber was determined and characterized by scanning electron microscopy, X-ray photoelectron spectroscopy, and Raman spectrometry. The prepared fiber was packed in a stainless-steel tube instead of the sample loop of a six-port and tested for the extraction of five environmental estrogen hormones coupled with high-performance liquid chromatography. Several parameters affecting the estrogens’ extraction including the sampling volume, sampling rate, NaCl content, and desorption time were investigated in detail. The extraction tube with carbonized aramid fiber exhibited remarkable extraction performance towards five estrogen targets. The analysis method was established, and it exhibited a wide linear range (0.5–10.0 μg/L) with good linearity (correlation coefficient ≥0.9906), low limits of detection (0.011–0.13 μg/L), and high enrichment factors (178–1335) for the five analytes. Relative standard deviations (n = 3) for intraday (≤4.8%) and interday (≤4.0%) tests indicated that the extraction material had satisfactory repeatability. Bisphenol A released from a polycarbonate (PC) bottle was quantitatively detected with a concentration of 8.3 μg/L. The relative recoveries spiked at 5 and 10 μg/L were investigated, and the results were in the range of 74.3–121% for real water samples.

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JOURNAL OF SEPARATION SCIENCE · 2020 ·Vol. 44 ·期 6 ·1140-1147 · IF 2.878

Preparation of porous polymers based on high internal phase emulsion for enrichment of estrogens in urine

Xiangqiong Jiang,Guihua Ruan,Wenjuan Zhang,Yan Zhang,Fuyou Du,Zhengyi Chen

In this work, graphene oxide-hybridized high internal emulsion polymers with crosslinking and open-cell structure was prepared and applied for separation and enrichment of estrogens. The prepared graphene oxide-hybridized high internal emulsion polymer monoliths had hydrophobicity, porosity and stability, which were just obtained by one step in-situ emulsion polymerization of 2-ethylhexyl acrylate, glycidyl methacrylate, and divinylbenzene after doping with graphene oxide. Benefit from the advantages of its unique character, the graphene oxide-hybridized high internal emulsion polymers monolith with low background pressure (85 kPa) and high mechanical strength could be applied for efficient separation for trace estrogens in urine. Under the optimized condition, trace estrogens, including estrone, estradiol, and diethylstilbestrol in urine, were detected by high-performance liquid chromatography, all the sample preparation process were carried out in 15 min, the recovery rate was ranged from 85.0 to 106.0% and the relative standard deviation was less than 4.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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International Journal of Genomics · 2020 · IF 2.414

The Analysis of Estrogen-Degrading and Functional Metabolism Genes in Rhodococcus equi DSSKP-R-001

Kejian Tian,Fanxing Meng,Qi Meng,Yan Gao,Lili Zhang,Le Wang,Yuqing Wang,Xue Li,Hongliang Huo

Estrogen contamination is recognized as one of the most serious environmental problems, causing widespread concern worldwide. Environmental estrogens are mainly derived from human and vertebrate excretion, drugs, and agricultural activities. The use of microorganisms is currently the most economical and effective method for biodegradation of environmental estrogens. Rhodococcus equi DSSKP-R-001 (R-001) has strong estrogen-degrading capabilities. Our study indicated that R-001 can use different types of estrogen as its sole carbon source for growth and metabolism, with final degradation rates above 90%. Transcriptome analysis showed that 720 (E1), 983 (E2), and 845 (EE2) genes were significantly upregulated in the estrogen-treated group compared with the control group, and 270 differentially expressed genes (DEGs) were upregulated across all treatment groups. These DEGs included ABC transporters; estrogen-degrading genes, including those that perform initial oxidation and dehydrogenation reactions and those that further degrade the resulting substrates into small molecules; and metabolism genes that complete the intracellular transformation and utilization of estrogen metabolites through biological processes such as amino acid metabolism, lipid metabolism, carbohydrate metabolism, and the tricarboxylic acid cycle. In summary, the biodegradation of estrogens is coordinated by a metabolic network of estrogen-degrading enzymes, transporters, metabolic enzymes, and other coenzymes. In this study, the metabolic mechanisms by which Rhodococcus equi R-001 degrades various estrogens were analyzed for the first time. A new pollutant metabolism system is outlined, providing a starting point for the construction of engineered estrogen-degrading bacteria.

CAS / MDL: 53-16-7 50-28-2 57-63-6
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TALANTA · 2020 · IF 5.339

Hydrophilic magnetic molecularly imprinted nanobeads for efficient enrichment and high performance liquid chromatographic detection of 17beta-estradiol in environmental water samples

Xing Tian,Huijia Song,Yue Wang,Xuemeng Tian,Yuhai Tang,Ruixia Gao,Chengxiao Zhang

Novel magnetic molecularly imprinted nanobeads for 17β-estradiol (E2), namely, E2-MMINs, were synthesized by molecularly imprinted polymers on the surface of magnetic nanobeads in aqueous solvents . The hydrophilic nanobeads were set up by adopting carboxyl group-functionalized Fe 3 O 4 nanoparticles as carriers, E2 as template molecule, and dopamine as functional monomer . The synthesized E2-MMINs were investigated in different aspects including synthesis conditions, physical and chemical properties, and adsorption conditions. The experimental results show that the E2-MMINs present not only thin imprinting layers, stable crystal form , and fast magnetic separation ability, but also rapid kinetics (20 min), high binding amount (41.48 mg g −1 ), satisfactory specificity (imprinting factor = 8.07), and favorable reusability (adsorption efficiency > 94.8% after reusing for 10 times). Moreover, the method employing E2-MMINs combined with high performance liquid chromatography for the specific enrichment and determination of trace E2 has been developed with the low LOD (0.008 μg L −1 ), and the application in environmental water samples has been proved. This work demonstrates that the proposed synthetic strategy is highly promising to the synthesis of hydrophilic nanobeads for efficient enrichment and detection of target molecule E2.

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JOURNAL OF CHROMATOGRAPHY A · 2020 · IF 4.049

Molecularly imprinted polymers prepared from a single cross-linking functional monomer for solid-phase microextraction of estrogens from milk

Shenling Wang,Yanling Geng,Xiaowei Sun,Rongyu Wang,Zhenjia Zheng,Shenghuai Hou,Xiao Wang,Wenhua Ji

In this work, a single cross-linking functional monomer, 2,5-divinylterephthalaldehyde, was designed and synthesized to simplify the preparation of molecularly imprinted polymers (MIPs). In the presence of estradiol as a template, MIPs were successfully prepared using 2,5-divinylterephthalaldehyde along with a solvent and initiator. This method reduced most of the complex variables encountered in the traditional synthesis. Characterization of the morphology and structure of the MIPs was performed by scanning electron microscopy, Fourier transform infrared spectroscopy, and Brunauer-Emmett-Teller analysis. Compared with non-imprinted polymers, the MIPs had higher adsorption capacities for five estrogens with imprinting factors above 2.9. The MIPs had high extraction efficiencies, good functional properties, long lifetimes, and good reproducibility, which made them suitable for solid-phase microextraction (SPME). Coupled with ultra-high performance liquid chromatography tandem mass spectrometry, the MIP-based fibers were applied to SPME for the analysis of five estrogens in milk samples. Under the best conditions, the established method had a wide linear range (0.5–10000 ng kg −1 ), low limits of detection (0.08–0.26 ng kg −1 ) and quantification (0.26–0.87 ng kg −1 ), good precision (3.2–8.1%, n  = 6), and fiber-to-fiber reproducibility (4.3%–8.8%, n  = 3). The MIPs-based fibers can be reused at least 60 times without apparent loss of extraction efficiency. Finally, this method was applied to the determination of target estrogens in milk samples with satisfactory relative recoveries (84.3%–105%, relative standard deviation ≤ 7.8%).

✓ 已验证 产品关联 DOI PubMed 高影响因子
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BIOSENSORS & BIOELECTRONICS · 2020 · IF 10.257

An antibody-aptamer sandwich cathodic photoelectrochemical biosensor for the detection of progesterone

Yuhan Zhu,Zuwei Xu,Jie Gao,Weihao Ji,Jingdong Zhang

The progesterone (P4) level in body fluids can act as an indicator for early pregnancy diagnosis and offers insight into mammalian somatic function. In this work, we designed an antibody-aptamer based sandwich assay as a cathodic photoelectrochemical (PEC) biosensor for P4 detection. The composites of carbon dots and graphene oxide (CDs-GO) with favorable cathodic photocurrent response were used as photoactive materials on which the antibody (Ab) of P4 was immobilized. Meanwhile, high affinity truncated P4 aptamer was immobilized on Au–CuO–Cu 2 O to act as a bioconjugate . When P4 was present, the aptamer-Au-CuO-Cu 2 O bioconjugate could amplify the cathodic photocurrent of CDs-GO modified electrode through Ab-P4-aptamer interactions. Under optimum conditions, the cathodic photocurrent of the constructed PEC biosensor was found to increase linearly with P4 in a wide concentration range from 0.5 nM to 180 nM, with a low detection limit (3S/N) of 0.17 nΜ. The proposed cathodic PEC sensing platform demonstrated high selectivity , satisfying reproducibility, good stability. The sensor was successfully applied in the determination of P4 in human serum samples.

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