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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2026 ·Vol. 74 ·期 32 ·25059-25074 · IF 6.7

Herbicides as Isoform-Selective Inhibitors of Human 3β-HSD1 and Rat 3β-HSD4: Structure–Activity Relationships and Implications for Progesterone Biosynthesis and Recurrent Pregnancy Loss

Che Huiyi,Ren Xiya,Wang Shaowei,Wang Lingfei,Gong Chaochao,Shu Yu,Tang Yunbing,Zhang Pu,Ge Ren-Shan,Ying Yingfen

Environmental exposure to herbicides has raised significant concerns. However, whether herbicides affect placental 3β-hydroxysteroid dehydrogenase/Δ 5 -Δ 4 isomerase (3β-HSD) remains unclear. This study investigated the inhibitory effects of 14 herbicides, especially dinitroanilines, on human (h3β-HSD1) and rat (r3β-HSD4), key enzymes in progesterone biosynthesis. In vitro assays showed isopropalin and oryzalin potently inhibited h3β-HSD1 (IC 50 39.56 and 52.99 μM) via mixed-type inhibition. Inplacental JAr cells, oryzalin and profluraline suppressed progesterone synthesis at 100 μM, while isopropalin had no effect. Species-dependent inhibition was observed; oryzalin was most potent against r3β-HSD4 (IC 50 33.52 μM), and cyanazine also inhibited the rat isoform. Molecular docking indicated their binding to the NAD + -binding pocket. SAR and pharmacophore modeling identified molecular volume and flexibility as key for h3β-HSD1 potency. Network toxicology linked herbicide exposure to recurrent pregnancy loss via steroidogenic genes. These findings provide mechanistic evidence that specific herbicides disrupt progesterone production and may contribute to adverse reproductive outcomes.

CAS / MDL: 40487-42-1
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FOOD CHEMISTRY · 2026 · IF 9.8

Exploration of complex-based probe for pesticide residue detection: Specific recognition achieved via the synergistic effect of coordination water and supramolecular chains

Xiangying Li,Qiushuo Li,Qiong Xu,Meifen Huang,Weili Li,Qiong Wu,Hao Ai,Degen Li,Haijun Pang

The rational design of molecular fluorescent probes from transition metal complexes is a promising chemical strategy, yet its deployment for detection pesticide residues remains largely unexplored. Herein, a novel fluorescent probe for the pesticide PDM is fabricated from the Salen-Zn complex [Zn(3,5-Cl-Salnptn) (H 2 O)] (Zn-3,5-Cl-Salnptn). Experimental results demonstrated that Zn-3,5-Cl-Salnptn possesses exceptional selectivity, a high Stern-Volmer fluorescence quenching constant (Ksv = 4.2 × 10 4  M −1 ) and a low detection limit (1.13 μM) for PDM, and to the best of our knowledge, this is the first example of the complex-based probe for PDM detection. Theoretical calculations demonstrate that the axial coordination water, which forms a supramolecular chain structure through intermolecular hydrogen bonds, is essential for the specific recognition capability of the probe. This study not only provides a novel probe model for PDM pollution monitoring but also demonstrates the significant role of crystal engineering in optimizing the performance of pesticide residue probes.

CAS / MDL: 40487-42-1
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MICROCHIMICA ACTA · 2019 ·Vol. 186 ·期 12 ·1-8 · IF 5.479

A coaxial nanocable textured by a cerium oxide shell and carbon core for sensing nitric oxide

Hou Guorong,Yun Yanjing,Wang Minqiang,Wang Ying,Chen Hao,Zhang Longcheng,Wang Feng,Xia Qingyou,Liu Yang,Lu Zhisong,Bao Shu-Juan

A corn-like CeO 2 /C coaxial cable textured by a cerium oxide shell and a carbon core was designed to sense NO. The carbon core possesses high electrical conductivity, and the CeO 2 surface delivers excellent electrocatalytic activity. The sensor, typically operated at 0.8 V (vs. Ag/AgCl), exhibits a detection limit of 1.7 nM, which is 4-times lower than that of CeO 2 nanotubes based one (at S/ N  = 3). It also displays wide linear response (up to 83 μM), a sensitivity of 0.81 μA μM −1  cm −2 , and fast response (2 s). These values are highly competitive to that of a CeO 2 tube (0.92 μA μM −1  cm −2 and 2 s). The sensor was used to quantify NO that is released by Aspergillus flavus. Schematic representation of corn-like CeO 2 /C which can more sensitively and effectively detect NO released from A. flavus than when using CeO 2 nanotubes, benefitting from its unique coaxial cable structure.

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APPLIED CATALYSIS B-ENVIRONMENTAL · 2023 · IF 22.1

Self-floating g-C3N4/h-BN/Au photo-thermal catalysts with unprecedented thermostability at solar-activated heating condition for reusable degradation of organic pollutants

Chang Wang,Shihao Zhou,Qingqiang Cui,Mengya Zhang,Linqi Zheng,Shuang Li,Xiangdong Liu,Ming Chen

Photo-thermal catalytic (PTC) degradation as an ideal candidate for wastewater treatment is yet suffering from the unsatisfied recyclability due to the thermal effect-exacerbated serious photocorrosion of semiconductor-based catalysts. Based on polymeric graphite carbon nitride (g-C 3 N 4 ) hybridized with antioxidative hexagonal boron nitride (h-BN) and grafted with stable Au nanoparticles (NPs), we provide thermostable g-C 3 N 4 /h-BN/Au nano-catalysts for high-efficient degradation of organic dyes at solar-activated heating condition. The fantastic PTC activity with optimal degradation rate up to ∼ 0.30 min −1 is far better than most mainstream hybrid catalysts. The unprecedented thermal recyclability is convincingly verified by consecutive 10 repeated tests within 500 min measurements under solar-driven heating condition (∼60 °C), wherein the negligible drop of degradation efficiency is only ∼ 0.2% lower than pristine one. The ingenious self-floating PTC membranes can be conveniently established by immobilizing the resultant nano-catalysts into bio-carbon porous frames and viscous bacterial nano-celluloses, facilitating practical wastewater decontamination in real-world scenarios.

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AQUATIC TOXICOLOGY · 2023 · IF 4.5

Using DeepLabCut for markerless cardiac physiology and toxicity estimation in water fleas (Daphnia magna)

Ferry Saputra,Michael Edbert Suryanto,Gilbert Audira,Cao Thang Luong,Chih-Hsin Hung,Marri Jmelou Roldan,Ross D. Vasquez,Chung-Der Hsiao

Daphnia magna is one species of water flea that has been used for a long time for ecotoxicity studies. In addition, Daphnia has a myogenic heart that is very useful for cardiotoxicity studies. Previous attempts to calculate the cardiac parameter endpoints in Daphnia suffer from the drawback of tedious operation and high variation due to manual counting errors. Even the previous method that utilized deep learning to help the process suffer from either overestimation of parameters or the need for specialized equipment to perform the analysis. In this study, we utilized DeepLabCut software previously used for animal pose tracking and demonstrated that ResNet_152 was the best fit for training the network. The trained network also showed comparable results with ImageJ and Kymograph, which was mostly done manually. In addition to that, several macro scripts in either Excel or Python format were developed to help summarize the data for faster analysis. The trained network was then challenged to analyze the potential cardiotoxicity of imidacloprid and pendimethalin in D. magna , and it showed that both pesticides cause alteration in their cardiac performance. Overall, this method provides a simple and automatic method to analyze the cardiac performance of Daphnia by utilizing DeepLabCut . The method proposed in this paper can contribute greatly to scientists conducting fast and accurate cardiotoxicity measurements when using Daphnia as a model.

CAS / MDL: 138261-41-3 40487-42-1
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MICROCHIMICA ACTA · 2017 ·Vol. 184 ·期 7 ·1959-1967 · IF 4.58

A molecularly imprinted polypyrrole for ultrasensitive voltammetric determination of glyphosate

Xu Jinmeng,Zhang Yan,Wu Kaiqing,Zhang Lina,Ge Shenguang,Yu Jinghua

The paper describes a molecularly imprinted polymer along with an electrochemical assay for voltammetric determination of glyphosate (GLY). A composite of urchin-like gold nanoparticles and Prussian Blue was electrodeposited on an indium/tin oxide (ITO) glass to serve as a low-potential redox mediator and an electron transfer carrier. Then, polypyrrole was imprinted with GLY to form a molecularly imprinted polymer on the surface of the ITO electrode. The modified electrode was characterized using cyclic voltammetry and scanning electron microscopy. Differential pulse voltammetry showed the device to display an excellent current response to GLY, with a response that is linear in the 400–1200 ng⋅mL −1 GLY concentration range. The limit of detection is 92 ng⋅mL −1 . The method was successfully applied to the determination of GLY in spiked samples. In our perception, this approach represents a powerful tool for simple, low-cost and rapid detection of GLY in food and in the environment. Schematic of a molecularly imprinted polymer along with an electrochemical assay for voltammetric determination of glyphosate. The method employs electrodeposited urchin-like gold nanoparticles and Prussian Blue as a low-potential redox mediator and an electron transfer carrier.

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FOOD CHEMISTRY · 2024 · IF 8.5

Acetylcholinesterase-free colorimetric sensing platform for carbosulfan detection based on hollow PDA/MnO2 nanozyme

Jingfang Guo,Feng Zhao,Zhenhui Yue,Zhen Lei

Rapid and accurate detection of carbosulfan residues in vegetables is important for ensuring food safety. Herein, based on the unique hydrolysis behavior of carbosulfan, a nanozyme-based colorimetric sensing platform was proposed for detection of carbosulfan. Hollow polydopamine/MnO 2 nanoparticles (H-PDA/MnO 2 NPs) with excellent oxidase-like activity were synthesized, which can promote the oxidation of 3,3′,5,5′-tetramethylbenzidine (TMB) into blue oxidative product (oxTMB). Under acidic conditions, carbosulfan can be decomposed and produce reductive sulfide species (-SH), which are capable to disintegrate MnO 2 NPs, resulting in decreased oxidase-like activity of H-PDA/MnO 2 NPs. Based on the inhibitory effect on oxidase activity of H-PDA/MnO 2 NPs, an acetylcholinesterase-free colorimetric assay was proposed for detection of carbosulfan with low limit of detection of 0.63 ng mL −1 . Integrating test swabs with smartphone, a portable colorimetric sensor was constructed, showing great potential for on-site detection. To demonstrate the feasibility of this method, carbosulfan in real vegetable samples were determined.

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