Journal of Agricultural and Food Chemistry最新文献

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Design, Synthesis, Nematicidal Activity Evaluation, and Mode of Action Study of Novel Trifluorobutene Ester Derivatives as Potential Nematicides 作为潜在杀线虫剂的新型三氟丁烯酯衍生物的设计、合成、杀线虫活性评估和作用模式研究
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.4c08804
Cheng Liu, Yadi Chen, Zhong Li, Xiaoyong Xu
{"title":"Design, Synthesis, Nematicidal Activity Evaluation, and Mode of Action Study of Novel Trifluorobutene Ester Derivatives as Potential Nematicides","authors":"Cheng Liu, Yadi Chen, Zhong Li, Xiaoyong Xu","doi":"10.1021/acs.jafc.4c08804","DOIUrl":"https://doi.org/10.1021/acs.jafc.4c08804","url":null,"abstract":"Crop protection globally is under threat from infections caused by plant-parasitic nematodes (PPNs). PPNs can wreak havoc on agricultural production. However, only limited nematicides are currently available, and the growing resistance problem is a concern; therefore, novel nematicides are urgently needed. Thirty-three trifluorobutene ester derivatives were synthesized, and then their biological activity against <i>Meloidogyne incognita</i> was tested in this study. Among them, nine compounds exhibited excellent <i>in vitro</i> bioactivity against <i>M. incognita</i>; their LC<sub>50/72h</sub> values reached 1.77–3.95 mg/L. In addition, the derivative of the active compound above containing a piperazine ring exhibited significant <i>in vivo</i> bioactivity against <i>M. incognita</i> with an inhibition rate of 77.3% at 1.25 mg/L in matrix. The structure–activity relationships (SARs) of all synthesized compounds were analyzed, and further comparative molecular field analysis (CoMFA) was calculated to discuss the SAR profile. The preliminary mechanisms of action study suggested that some compounds had a great inhibitory effect on the egg hatching, motility, feeding ability, and growth of <i>Caenorhabditis elegans</i>. Meanwhile, the effects of the active compounds on biochemical indices related to oxidative stress indicated that two compounds could significantly promote the oxidative stress of nematodes and induce toxicity through oxidative damage.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"37 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Residue Patterns and Dietary Risk Assessment of Picarbutrazox and Its Metabolite TZ-1E in a Ginseng Planting System picarbutrazole及其代谢物TZ-1E在人参种植系统中的残留模式及膳食风险评估
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.5c00854
Tengda Ma, Zhijia Cheng, Yang Liu, Yang Xiong, Zhiguang Hou, Zhongbin Lu
{"title":"Residue Patterns and Dietary Risk Assessment of Picarbutrazox and Its Metabolite TZ-1E in a Ginseng Planting System","authors":"Tengda Ma, Zhijia Cheng, Yang Liu, Yang Xiong, Zhiguang Hou, Zhongbin Lu","doi":"10.1021/acs.jafc.5c00854","DOIUrl":"https://doi.org/10.1021/acs.jafc.5c00854","url":null,"abstract":"This study established a simple, sensitive, and rapid method for the residual analytical method of picarbutrazox and its metabolites (<i>E</i>)-picarbutrazox (TZ-1E) in ginseng plants, fresh ginseng, and dried ginseng. The samples were extracted and purified using an improved QuEChERS method and determined by HPLC-MS/MS. The linear relationship of the method was good (<i>R</i><sup>2</sup> ranging from 0.9935 to 0.9999), the limit of detection was 7.19 × 10<sup>−5</sup> to 1.65 × 10<sup>−3</sup> ng, the limit of quantitation was 0.01 mg/kg, the intra- and interday addition recovery rates ranged from 87.33 to 107.2%, and the relative standard deviation range was 0.58–8.21%. This method was applied to detect residual samples in the field. The results showed that the degradation of picarbutrazox in ginseng plants followed first-order kinetic equations; the <i>R</i><sup>2</sup> values were 0.9293 and 0.9430, and the half-lives (<i>t</i><sub>1/2</sub>) were 8.24 and 11.5 d, respectively. It was an easily degradable pesticide (<i>t</i><sub>1/2</sub> &lt; 30 d). The final residual levels of picarbutrazox in ginseng plants, fresh ginseng, and dried ginseng ranged from 0.0184 to 19.223 mg/kg. A dietary risk assessment was conducted based on the final residual levels of picarbutrazox in fresh and dried ginseng, and the results showed that the chronic exposure risk quotient values of both fresh and dried ginseng were less than 100% (0.1303% for both fresh and dried ginseng). This indicated that the dietary risk of using 10% picarbutrazox suspension concentrate in ginseng was very low and did not pose an unacceptable risk to public health. The results of this study can provide a basis for the development of maximum residue limit for picarbutrazox in ginseng.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"108 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sequestosome 1 in Autophagy Regulates a Defense Response of the Striped Stem Borer to the Cry9Aa Protein 自噬中的封存体1调控条纹茎螟虫对Cry9Aa蛋白的防御反应
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.5c01763
Sirui Li, Zeyu Wang, Yanchao Yang, Xurong Niu, Yu Fang, Mario Soberón, Alejandra Bravo, Guo-Xing Wu, Jie Zhang
{"title":"Sequestosome 1 in Autophagy Regulates a Defense Response of the Striped Stem Borer to the Cry9Aa Protein","authors":"Sirui Li, Zeyu Wang, Yanchao Yang, Xurong Niu, Yu Fang, Mario Soberón, Alejandra Bravo, Guo-Xing Wu, Jie Zhang","doi":"10.1021/acs.jafc.5c01763","DOIUrl":"https://doi.org/10.1021/acs.jafc.5c01763","url":null,"abstract":"<i>Bacillus thuringiensis</i> produces insecticidal crystal (Cry) proteins that target and destroy insect pest midgut epithelial cells, ultimately leading to larval death. However, exposure to sublethal concentrations of Cry proteins can activate defense responses to counteract toxicity. Here, we revealed a moderate autophagy response to a sublethal dose of Cry9Aa in the larval midgut of <i>Chilo suppressalis</i> through autophagosome detection by electron microscopy, Western blot analysis of the Atg8-PE/Atg8 ratio, and visualization of Atg8-PE puncta. Additionally, differential gene expression analysis showed significant upregulation of the autophagy receptor genes <i>sequestosome 1</i> (<i>sqstm1</i>) and <i>atg12</i>, supporting a potential role for autophagy in the response to Cry9Aa intoxication. Knocking down <i>sqstm1</i> increased larval susceptibility to Cry9Aa by 30%, highlighting its role in defense, whereas <i>atg12</i> knockdown increased susceptibility by only 8%. Our findings suggest that <i>sqstm1</i> contributes to <i>C. suppressalis</i> defense against Cry9Aa intoxication through a mechanism response that may not be strictly dependent on canonical autophagy.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"17 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering of Flavonoid 3′-O-Methyltransferase for Improved Biomodification of Fisetin in Escherichia coli 黄酮类3′- o -甲基转移酶在大肠杆菌中改进非瑟酮生物修饰的工程研究
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.4c12864
Tianyu Shen, Xiaoyu Wang, Xiaomeng Zhang, Jianjun Pei, Zhenzhong Wang, Qi Li, Linguo Zhao
{"title":"Engineering of Flavonoid 3′-O-Methyltransferase for Improved Biomodification of Fisetin in Escherichia coli","authors":"Tianyu Shen, Xiaoyu Wang, Xiaomeng Zhang, Jianjun Pei, Zhenzhong Wang, Qi Li, Linguo Zhao","doi":"10.1021/acs.jafc.4c12864","DOIUrl":"https://doi.org/10.1021/acs.jafc.4c12864","url":null,"abstract":"Fisetin is mainly extracted from <i>Rhus succedanea</i> L., but it is also found in a variety of foods, vegetables, and herbs, and is commonly used in dietary supplements for its health benefits. However, its limited stability, low oral bioavailability, and poor absorption hinder its developmental applications. Methylation modification has emerged as an effective strategy to enhance the solubility, stability, and lipid solubility of fisetin. In this study, we identified a novel 3′-O-methyltransferase, PeCCoAOMT, characterized its enzymatic properties <i>in vitro</i>, and investigated its potential for producing 3′-O-methylated fisetin in <i>Escherichia coli</i>. Through strain screening, selection of protein tags and plasmid vectors, and optimization of culture conditions, the strain BTP was fermented in Lysogeny broth medium containing 5 g/L glycerol for 48 h at 37 °C. Finally, the strain BTP produced 530.44 mg/L of 3′-O-methylated fisetin, with a molar conversion rate of 63.02%, representing a 6.63-fold increase in titer compared to the initial strain, which is the highest level reported to date. This study provides valuable insights into the engineering of flavonoid O-methyltransferases and lays the foundation for the high-level biosynthesis of engineered microbial methylated flavonoids.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"130 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanism Exploration of Dietary Supplement Astaxanthin on Improving Atherosclerosis through an Integrated Strategy Encompassing Artificial Intelligence Virtual Screening and Experimental Validation 基于人工智能虚拟筛选和实验验证的膳食补充剂虾青素改善动脉粥样硬化的机制探索
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.4c11894
Yisa Cai, Shiyan Yang, Jiajiang Zhao, Guangzhen Zheng, Yun Han, Yuhan Zhang, Yiyuan Qin, Chao Yang, Qingping Xiong, Xinyi Chu, Chunhan Ju, Huixia Yin, Yingying Shi, Feng Jiang, Hui Yong, Yong Zhu
{"title":"Mechanism Exploration of Dietary Supplement Astaxanthin on Improving Atherosclerosis through an Integrated Strategy Encompassing Artificial Intelligence Virtual Screening and Experimental Validation","authors":"Yisa Cai, Shiyan Yang, Jiajiang Zhao, Guangzhen Zheng, Yun Han, Yuhan Zhang, Yiyuan Qin, Chao Yang, Qingping Xiong, Xinyi Chu, Chunhan Ju, Huixia Yin, Yingying Shi, Feng Jiang, Hui Yong, Yong Zhu","doi":"10.1021/acs.jafc.4c11894","DOIUrl":"https://doi.org/10.1021/acs.jafc.4c11894","url":null,"abstract":"Atherosclerosis (AS) is a major and common pathological basis of ischemic intestinal infarction, myocardial infarction, stroke, renal failure, and other highly lethal and disabling diseases. Current pharmacological interventions (e.g., statins) often cause adverse effects, limiting their long-term use. Natural compounds, with their multitarget efficacy and superior safety profiles, have emerged as promising alternatives for AS treatment. As a potent antioxidant carotenoid, astaxanthin exhibits unique therapeutic potential by simultaneously targeting inflammation, oxidative stress, and lipid metabolism, which are key drivers of AS pathogenesis. This study will systematically decipher astaxanthin’s therapeutic mechanisms through an integrative strategy encompassing artificial intelligence virtual screening and experimental validation. Notably, five proteins, including CTSD, DPP4, FABP5, ITGAL, and MMP9, were identified as core targets for astaxanthin intervention in AS via network pharmacology and machine learning. Meanwhile, the results from molecular dynamic simulations confirmed that these core targets can stable binding with astaxanthin. Furthermore, <i>in vitro</i> experiments further validated astaxanthin can inhibit foam cell formation, restore redox balance, and suppress inflammation. Moreover, a close correlation has been found between them. These findings position astaxanthin as a multitarget natural agent to combat AS, addressing both efficacy advantage and safety concerns of current therapies.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"3 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Integration of Macrogenomics and Metabolomics: Comprehensive Insights into the Effects of In Vitro Fermentation with Human Milk Exosomes on Infant Gut Microbiota 宏观基因组学和代谢组学的整合:人乳外泌体体外发酵对婴儿肠道微生物群影响的全面研究
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.4c09971
Kaili Wang, Xueting Han, Wenjia Zhou, Jianing Zhai, Zekun Yuan, Aili Li, Peng Du
{"title":"Integration of Macrogenomics and Metabolomics: Comprehensive Insights into the Effects of In Vitro Fermentation with Human Milk Exosomes on Infant Gut Microbiota","authors":"Kaili Wang, Xueting Han, Wenjia Zhou, Jianing Zhai, Zekun Yuan, Aili Li, Peng Du","doi":"10.1021/acs.jafc.4c09971","DOIUrl":"https://doi.org/10.1021/acs.jafc.4c09971","url":null,"abstract":"The role of human milk exosomes (HMEs) in maintaining infant intestinal health has attracted considerable attention, yet the mechanisms by which they regulate the infant gut microbiota remain to be elucidated. In this study, we constructed an <i>in vitro</i> fermentation model, combined with macrogenomics and nontargeted metabolomics technologies, to deeply analyze the effects of HMEs on the composition of intestinal microorganisms, the expression of functional genes, and the production of metabolites. It showed that HMEs significantly reduced the potential pathogenic bacteria like <i>Escherichia coli</i>, <i>Klebsiella pneumoniae</i>, <i>Dysgonomonas capnocytophagoides</i>, and <i>Shigella flexneri</i>, but increased <i>Bacteroides fragilis</i> and <i>Bifidobacterium pseudocatenulatum</i>. Moreover, HMEs promote key metabolic pathways including propionate and butyrate metabolism, glycolysis/glycogenesis, and amino acid metabolism. Consequently, beneficial intestinal metabolites such as short-chain fatty acids (SCFAs), amino acids, indoles, and secondary bile acids were elevated. It is speculated that HMEs may act as key signaling molecules or regulators to improve infant gut microecology.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"69 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving Biosynthesis Efficiency of Nicotinamide Mononucleotide by ATP Recycling Engineering and Condition Optimization ATP循环工程及条件优化提高烟酰胺单核苷酸的生物合成效率
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.5c03017
Cunduo Tang, Taisong Shen, Xueyang Bai, Yao Wang, Jiashu Zhang, Yunchao Kan, Dandan Li, Lunguang Yao, Hongling Shi
{"title":"Improving Biosynthesis Efficiency of Nicotinamide Mononucleotide by ATP Recycling Engineering and Condition Optimization","authors":"Cunduo Tang, Taisong Shen, Xueyang Bai, Yao Wang, Jiashu Zhang, Yunchao Kan, Dandan Li, Lunguang Yao, Hongling Shi","doi":"10.1021/acs.jafc.5c03017","DOIUrl":"https://doi.org/10.1021/acs.jafc.5c03017","url":null,"abstract":"Nicotinamide mononucleotide (NMN) is a very important bioactive nucleotide that is of great help to human health. However, its widespread application has been limited by its high production costs, especially the cost of the core substrates, coenzyme, and enzymes. In this study, the ADP/GDP-polyphosphate phosphotransferase <i>Rh</i>PPK2 originating from <i>Rhodobacter sphaeroides</i> was successfully expressed in <i>Escherichia coli</i> with high-level solubility, and the enzyme activity in the lysate supernatant reached 21.9 ± 0.65 U/mL. And then, the temperature profiles, pH profiles, and kinetic parameters of purified re<i>Rh</i>PPK2 were systematically characterized, which demonstrate its potential for application in enzymatic ATP regeneration systems. Furthermore, the introduction of re<i>Rh</i>PPK2 for ATP regeneration significantly enhanced NMN production efficiency, achieving a 2.3-fold increase compared to the conventional ATP supplementation method. Finally, the production efficiency of NMN was further improved by a single-factor experiment and L9(3<sup>4</sup>) orthogonal design, and the yield was up to 14.6 ± 0.51 g/L, about 5.4 times of the initial yield. This research substantially reduced NMN production costs and established a robust foundation for industrial-scale NMN production.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"67 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Graphene Oxide Nanosheets for Delivery of RNAi and Plant Immune Stimulation for Sustained Protection against Plant Viruses 氧化石墨烯纳米片递送RNAi和植物免疫刺激对植物病毒的持续保护
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.4c12485
Hongbao Zhang, Guangjin Fan, Dongwei Leng, Shuaikang Liu, Lin Cai
{"title":"Graphene Oxide Nanosheets for Delivery of RNAi and Plant Immune Stimulation for Sustained Protection against Plant Viruses","authors":"Hongbao Zhang, Guangjin Fan, Dongwei Leng, Shuaikang Liu, Lin Cai","doi":"10.1021/acs.jafc.4c12485","DOIUrl":"https://doi.org/10.1021/acs.jafc.4c12485","url":null,"abstract":"Given the dearth of effective antiviral drugs, the exogenous delivery of dsRNA for RNAi against plant viral diseases holds great promise. Here, we present an effective delivery approach of dsRNA utilizing graphene oxide nanosheets (GONs) on mature plant leaves via a spray. Our method achieves rapid and sustained gene knockdown, reducing the level of the target gene to 46% by day 2, and continuously releases dsRNA for at least 6 days. The coupling of GONs with specific fragments of coat protein and replicase gene dsRNA exhibited a superior antiviral effect compared to specific fragments of RNA-dependent replicase and movement protein. The coupling of GONs with the specific fragment of the replicase gene even has 87.2% protection against TMV. Moreover, the nanocomplex GONs@dsRNA can also stimulate plant immunity through bursts of reactive oxygen species without harming growth. Overall, our findings present a robust and convenient tool for plant virus control.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"70 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Insecticidal Evaluation of New Cyanoacetamide Derivatives Against Spodoptera Littoralis: Molecular Docking and Density Function Theory Approaches 新氰基乙酰胺衍生物对滨海鞘翅目昆虫的杀虫评估:分子对接和密度函数理论方法
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.4c12449
Mohamed R. Elmorsy, Safa A. Badawy, Azah Alnakeeb, Ahmed A. Fadda, Mohamed A. Ismail, M. Abd El Salam
{"title":"Insecticidal Evaluation of New Cyanoacetamide Derivatives Against Spodoptera Littoralis: Molecular Docking and Density Function Theory Approaches","authors":"Mohamed R. Elmorsy, Safa A. Badawy, Azah Alnakeeb, Ahmed A. Fadda, Mohamed A. Ismail, M. Abd El Salam","doi":"10.1021/acs.jafc.4c12449","DOIUrl":"https://doi.org/10.1021/acs.jafc.4c12449","url":null,"abstract":"The cotton leafworm <i>Spodoptera littoralis</i> represents a critical agricultural challenge because of its significant crop damage and increasing resistance to conventional insecticides. This study systematically evaluated the synthesized cyanoacetamide derivatives as novel insecticidal agents through comprehensive biochemical and computational analyses. Among the tested compounds, <b>AZ19, AZ20, AZ18</b>, and <b>AZ17</b> demonstrated remarkable toxicity against third instar larvae, with <b>AZ-19</b> exhibiting the most promising profile (LC<sub>50</sub> = 14.740 mg/L; toxicity index = 81.34%). Biochemical assessments revealed significant modulations in key enzymatic systems, including acetylcholinesterase, aminotransferases, and detoxification enzymes. Molecular docking and density functional theory (DFT) analyses provided critical insights into the binding affinities, electronic properties, and potential modes of action of the compounds. By integrating bioassays, molecular docking, and quantum chemical investigations, this research not only identifies <b>AZ19</b> as a potent insecticidal candidate but also establishes a robust framework for developing next-generation pest control strategies that address resistance challenges and support sustainable agricultural practices.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"26 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Novel “Mobile Phase Braking Drift Technique” Utilized for the Enantioselective Residual Analysis of Cyflumetofen and the Investigation of Its Enantiomeric Migration during Tea Growth, Processing, and Brewing 一种新的“流动相制动漂移技术”用于氟甲醚的对映选择性残留分析及其在茶叶生长、加工和酿造过程中对映体迁移的研究
IF 6.1 1区 农林科学
Journal of Agricultural and Food Chemistry Pub Date : 2025-04-23 DOI: 10.1021/acs.jafc.5c00891
Yating Ning, Xiangyun Wang, Yue Hu, Yan Zhao, Yaqi Wang, Fengjian Luo, Liezhong Chen, Xinzhong Zhang
{"title":"A Novel “Mobile Phase Braking Drift Technique” Utilized for the Enantioselective Residual Analysis of Cyflumetofen and the Investigation of Its Enantiomeric Migration during Tea Growth, Processing, and Brewing","authors":"Yating Ning, Xiangyun Wang, Yue Hu, Yan Zhao, Yaqi Wang, Fengjian Luo, Liezhong Chen, Xinzhong Zhang","doi":"10.1021/acs.jafc.5c00891","DOIUrl":"https://doi.org/10.1021/acs.jafc.5c00891","url":null,"abstract":"Cyflumetofen (CYF) enantiomers were first separated by reversed-phase liquid chromatography. The enantioselectivity during tea growth, processing, and brewing was studied by a reversed-phase ultrahigh performance liquid chromatography tandem mass spectrometry (RP-UHPLC-MS/MS) method. The linearity ranges of CYF enantiomers in different matrix-matched calibration curves were from 0.0025 to 1.0 mg/L, with satisfactory correlation coefficients (<i>R</i><sup>2</sup> ≥ 0.9985). The average recoveries of (+)-CYF and (−)-CYF were 76.3–116.9 and 82.9–116.9%, respectively. The limits of quantification (LOQs) for the two enantiomers were 2.5 μg/kg in fresh tea leaves and tea, and 0.25 μg/L in tea infusion. The dissipation half-life (<i>t</i><sub>1/2</sub>) of (+)-CYF and (−)-CYF during fresh tea growth was 1.04 days and 1.23 days, respectively. After processing the fresh tea leaves into green tea (black tea), the processing factors (PFs) of (+)-CYF and (−)-CYF were 0.15–0.26 (0.18–0.61) and 0.11–0.26 (0.20–0.60), respectively. The total leaching rates (TLRs) of (+)-CYF and (−)-CYF from green tea (black tea) to tea infusion were 2.7% (4.2%) and 2.1% (4.9%). The enantiomeric fractions (EFs) of CYF migration during tea growth, processing, and brewing were 0.48–0.50, 0.44–0.56, and 0.47–0.57, respectively, indicating no enantioselectivity.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"21 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866221","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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