{"title":"The C-terminal Ω-Loop of Candida antarctica Lipase A Governs Active Pocket Exposure via Conformational Switching","authors":"Yanli Che,Jinrui Zhang,Mingzhu Li,Qi Shen,Jingyan Li,Xin Lü,Yujie Chen","doi":"10.1021/acs.jafc.6c10088","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c10088","url":null,"abstract":"Candida antarctica lipase A (CALA) is widely used in industrial catalysis due to its excellent thermostability and unique substrate selectivity. However, the molecular mechanism governing its active pocket exposure remains unclear, which hampers its further application. In this study, by integrating multiscale simulations and protein engineering, the C-terminal Ω-loop (Loop 3) was identified as the key structural element governing active pocket opening. Truncation or enhancement of flexibility of this loop was found to promote conformational transitions toward the open state. Enzymatic assays revealed that Loop 3 variants shift the optimal substrate from C16 to C14 without altering regioselectivity. Notably, immobilization on hydrophobic supports likely restricts Loop 3 conformation, leading to complete inactivation in anhydrous systems. These results identified Loop 3 as a critical regulator of CALA conformational dynamics, providing a structural basis for rational engineering and immobilization strategy optimization.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"16 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221651","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}
{"title":"Harnessing Neuroendocrine and Circadian Clocks in Beneficial Insects for Agricultural Chrono-Management","authors":"Xianguo Zhao,Yudan Jian,Su Wang","doi":"10.1021/acs.jafc.6c12791","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c12791","url":null,"abstract":"Pollinators and natural enemies provide essential agricultural ecosystem services that are regulated by circadian clocks, hormones, and biogenic amines. This review synthesizes research on the integration between neuroendocrine systems and circadian clocks across different taxa, identifying both conserved regulatory mechanisms and lineage-specific adaptive traits. These multilayered interactions coordinate insect behavior, life-history development, and the alignment of insect activities with available resources. We propose agricultural chrono-management, a framework to improve ecosystem services by using targeted environmental cues to align beneficial insect activity with farming schedules. However, most evidence so far comes from the laboratory and controlled studies, and field validation remains limited. We further evaluated the feasibility, ecological risks, and climate resilience of photoperiodic regulation, nutritional modulation, and synthetic ecological interventions. Key future research priorities include multiomics integration, large-scale field validation, and predictive modeling of ecosystem services. This synthesis links molecular-level regulatory mechanisms to ecological outcomes and establishes a foundational framework for climate-resilient management of beneficial insects.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"13 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221652","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}
{"title":"Novel Diterpenoids from Yemeni Coffea arabica: Isolation, Structural Elucidation, and Glucose Uptake Activity","authors":"Abdulbaset Al-Romaima,Xiaocui Liu,Guilin Hu,Jameel Alafifi,Shiheng Zong,Chenxi Quan,Minghua Qiu","doi":"10.1021/acs.jafc.6c05370","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c05370","url":null,"abstract":"A phytochemical investigation of Yemeni Coffea arabica green beans led to the isolation of fifty-one diterpenoids, including 18 new compounds (1–5, 9–15, 26, 27, 31, 33, 34, 42). Structures were established by 1D/2D NMR, HRESIMS, IR, and X-ray crystallography. Compound 11 possesses a novel rearranged skeleton, while compounds 1–15 represent a series of diterpenoid glycosides featuring diverse aromatic acylations (p-hydroxybenzoyl, p-coumaroyl, feruloyl, sinapoyl, or 6,7-dimethoxycinnamoyl) on a C-19 β-glucosyl moiety. Bioactivity screening in insulin-resistant HepG2 cells identified nine compounds that significantly enhanced glucose uptake, with improvements ranging from 24.91% to 81.10%. This study elucidates the structural diversity of diterpenoids in coffee and highlights their potential relevance to glucose metabolism.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"46 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221650","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}
Larissa Buedenbender,Miguel Balado,Diego Rey-Varela,Marta A. Lages,Patricia Fernández Puente,Jaime Rodríguez,Manuel L. Lemos,Anthony R. Carroll,Carlos Jiménez
{"title":"Integrated Metabolomic and Proteomic Analyses Reveal Altered Iron Homeostasis and Immunometabolic Remodeling in the Spleen of Solea senegalensis during Vibriosis","authors":"Larissa Buedenbender,Miguel Balado,Diego Rey-Varela,Marta A. Lages,Patricia Fernández Puente,Jaime Rodríguez,Manuel L. Lemos,Anthony R. Carroll,Carlos Jiménez","doi":"10.1021/acs.jafc.6c02961","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c02961","url":null,"abstract":"Vibrio anguillarum is a major pathogen impacting Solea senegalensis aquaculture. While host–pathogen competition for iron drives disease progression, the in vivo molecular evidence linking iron homeostasis and immune responses in fish remains limited. Here, we integrated metabolomic and proteomic analyses to characterize the splenic response of S. senegalensis during experimental vibriosis. Multiomics integration revealed disruption of iron homeostasis alongside coordinated immunometabolic reprogramming. We detected the bacterial siderophore piscibactin directly in spleen tissue of sole exhibiting advanced stages of vibriosis, providing in vivo evidence of siderophore-mediated iron acquisition. Infection-driven metabolic shifts in lysine degradation, nucleotide metabolism, and mitochondrial energy pathways were correlated with heightened cellular proliferation and metabolic stress. Integrative analysis identified metabolites including 2-aminoadipic acid, saccharopine, and methylsuccinic acid, together with iron-regulatory proteins (e.g., STEAP4) as candidate biomarkers. These findings enhance our understanding of vibriosis-associated immunometabolic responses and provide a systems-level framework for future disease monitoring and management in aquaculture.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"12 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218820","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}
{"title":"Betulinic Acid Alleviates Lipopolysaccharide-Induced Hepatic Inflammatory Injury by Inhibiting the RIG-I/NF-κB Signaling Pathway","authors":"Jiayu He,Li Kong,Jiao Wu,You Huang,Zhaoping Ou,Yu Yang,Huan Yao,Zhuliang Tan,Quanwei Li,Shuiping Liu,Jine Yi","doi":"10.1021/acs.jafc.6c00755","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c00755","url":null,"abstract":"Betulinic acid (BA), a natural pentacyclic triterpenoid, possesses anti-inflammatory and antioxidant properties. However, its role and mechanisms in lipopolysaccharide (LPS)-induced liver injury remain unclear. We assessed BA’s protective effects in LPS-challenged piglets and AML12 cells. Our results demonstrated that BA pretreatment significantly mitigated liver pathology and decreased pro-inflammatory cytokines in LPS-challenged piglets. Transcriptomics and Western blot results revealed that BA pretreatment markedly reduced LPS-induced hepatic inflammatory injury in piglets by suppressing the retinoic acid-inducible gene I (RIG-I)/nuclear factor-κB (NF-κB) pathway. Consistently, BA blocked activation of the RIG-I/NF-κB cascade to alleviate LPS-induced inflammatory damage in AML12 cells. Notably, the RIG-I agonist polyinosinic-polycytidylic acid (poly I:C) substantially counteracted BA’s protective effects in AML12 cells by enhancing activation of the RIG-I/NF-κB cascade. In conclusion, BA attenuated LPS-induced liver inflammatory injury by inhibiting RIG-I-mediated NF-κB activation. This finding provides a theoretical foundation and identifies a new target for BA-mediated therapy for liver injury.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"12 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221654","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}
Changjian Xia,Xiaohua Xiang,Xiang Li,Hongkun Lu,Dong Guo,Tongjing Yan,Lei Jiang,Dexin Chen,Yi Yang
{"title":"Whole-Genome Sequences of Tobacco Mosaic Virus (TMV, Tobamovirus tabaci) Reveal Its Population Genetic Structure and Transmission Routes in China","authors":"Changjian Xia,Xiaohua Xiang,Xiang Li,Hongkun Lu,Dong Guo,Tongjing Yan,Lei Jiang,Dexin Chen,Yi Yang","doi":"10.1021/acs.jafc.6c09801","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c09801","url":null,"abstract":"Viral diseases severely threaten agriculture, particularly in cigar tobacco. Here, we clarified the occurrence and distribution of viral diseases in cigar tobacco in Hainan, China, and identified TMV and CMV as the predominant viruses. Furthermore, we obtained the full-length genomes of two TMV isolates, analyzed their structures and variations, and validated their pathogenicity. Using whole-genome resequencing data from 79 TMV isolates collected over the past two decades─60 from five major tobacco-growing regions of China and 19 from other countries─we constructed a genome-wide SNP data set and analyzed the population genetics and transmission routes. Results indicated that TMV in China originated in northern China and spread via two independent routes: (i) progressive north-to-south spread to the middle and lower reaches of the Changjiang River basin and (ii) direct introduction to Hainan Island. Our study provides insights into viral disease management in the development of the cigar industry.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"11 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221655","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}
Ruobing Jia,Xiangxin Wang,Sinan Mu,Yaxing Xie,Changsheng Guo,Siyu Zhang,Zeyu Peng,Jianjun Cheng,Qingfeng Ban
{"title":"Exploring Lipid Degradation and Spatial Distribution of Rice during Storage: Based on Multi-Scale Microscopic Imaging, Lipidomics and DESI-MSI","authors":"Ruobing Jia,Xiangxin Wang,Sinan Mu,Yaxing Xie,Changsheng Guo,Siyu Zhang,Zeyu Peng,Jianjun Cheng,Qingfeng Ban","doi":"10.1021/acs.jafc.6c09104","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c09104","url":null,"abstract":"Understanding how molecular changes drive structural deterioration is essential for clarifying rice quality loss during storage. Paddy rice stored for 0–2 years under brown rice (BR) and polished rice (PR) systems was analyzed using multiscale microscopy, LF-NMR, lipidomics, and DESI-MSI to investigate lipid degradation and spatial redistribution during storage. Both BR and PR showed progressive surface darkening and reduced transparency during storage. BR exhibited bran-layer cracking and lipid leakage, whereas PR showed increased surface roughness and internal particle aggregation. Total quantified lipids decreased during storage, accompanied by aleurone membrane deterioration and lipid redistribution. Lipidomics identified 666 lipid species and showed distinct remodeling patterns between BR and PR. DESI-MSI further visualized 87 lipids with clear tissue-specific distributions. Outer-layer lipids mainly underwent fatty acid turnover, whereas endosperm lipids were characterized by glycerophospholipid degradation and remodeling. These findings provide spatially resolved insight into lipid-mediated rice quality deterioration during storage.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"28 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218822","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}
Xiaoying Liu,Zhongyu Zhang,Yuanyuan Fang,Beixin Yuan,Huilong Lian,Wenxin Yin,Jinming Zhang,Qin Yuan,Shengpeng Wang
{"title":"Polygonatum cyrtonema Polysaccharide Ameliorates Functional Constipation in Mice via the Gut Microbiota–Pentadecanoic Acid–GPR40 Axis","authors":"Xiaoying Liu,Zhongyu Zhang,Yuanyuan Fang,Beixin Yuan,Huilong Lian,Wenxin Yin,Jinming Zhang,Qin Yuan,Shengpeng Wang","doi":"10.1021/acs.jafc.6c06937","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c06937","url":null,"abstract":"Constipation is a widespread gastrointestinal dysfunction that severely diminishes life satisfaction, yet current pharmacological interventions frequently carry risks of dependency. This study investigates the therapeutic potential and underlying mechanism ofPolygonatum cyrtonema polysaccharide (PCP), an inulin neoseries-type fructan, in mitigating loperamide-induced constipation in mice. Our results demonstrated that PCP treatment significantly normalized defecation indicators, including increased fecal water content and accelerated small-intestinal transit. Fecal microbiota transplantation (FMT) confirmed that the anti-constipation efficacy of PCP was driven by the gut microbiota. Integrated 16S rRNA sequencing and metabolomic profiling revealed that PCP remodeled the gut microbiota, particularly enriching Lachnospiraceae, which subsequently drove the accumulation of pentadecanoic acid (PDA). Mechanistically, PDA served as a key microbial metabolite that enhanced colonic motility, likely by activating the GPR40 receptor. These findings identify the “PCP–microbiota–PDA–GPR40” axis as an novel pathway for alleviating functional constipation, supporting PCP as a promising prebiotic candidate or functional food ingredient.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"73 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218859","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}
{"title":"Gut Microbiota-Derived β-Glucuronidase Governs the Anticolitic Efficacy of Daidzein via the ERβ-PI3K/Akt/mTOR-Autophagy Axis","authors":"Sujuan Ding,Yongchao Chen,Jiao Li,Gang Liu,Xi He,Jun Fang","doi":"10.1021/acs.jafc.6c08490","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c08490","url":null,"abstract":"Precision nutritional interventions targeting the gut microenvironment have emerged as a pivotal strategy for managing inflammatory bowel disease (IBD). However, the specific microbial mechanisms governing the therapeutic efficacy of dietary flavonoids, such as daidzein (DA), remain largely unexplored. In this study, it was observed that administration of 40 mg/kg DA significantly attenuated DSS-induced colitis, preserving mucosal barrier integrity and suppressing inflammation. Multiomics analysis revealed that DA reprogrammed the gut microbiota composition, specifically enriching β-glucuronidase (GUS)-producing bacteria, especially Bacteroides thetaiotaomicron. Mechanistically, the effects of microbially bioactivated DA were associated with host estrogen receptor beta (ERβ) signaling. Pharmacological blockade further supported the involvement of ERβ signaling in the suppression of PI3K/Akt/mTOR signaling and restoration of autophagy, thereby contributing to intestinal epithelial repair. Collectively, these findings unveil a potential Microbiota-GUS-ERβ-PI3K/Akt/mTOR-autophagy mechanistic axis, establishing a robust theoretical foundation for precision nutritional strategies targeting specific gut microbiota.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"285 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221638","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}
Lijun Luo,Lingyue Guo,Xiaofan Ding,Huiyan Du,Shuyun Meng,Wenjia Li,Shuai Ma,Tianyan You
{"title":"Synergistic Spatial Confinement and Co-Reactant Acceleration Enable a Self-Enhanced Electrochemiluminescence–Electrochemical Dual-Mode Aptasensor for Acetamiprid","authors":"Lijun Luo,Lingyue Guo,Xiaofan Ding,Huiyan Du,Shuyun Meng,Wenjia Li,Shuai Ma,Tianyan You","doi":"10.1021/acs.jafc.6c10499","DOIUrl":"https://doi.org/10.1021/acs.jafc.6c10499","url":null,"abstract":"A long electron transfer distance and significant energy dissipation could cause low electrochemiluminescence (ECL) efficiency during mass-transfer reactions. To address this, a synergistic strategy based on spatial confinement and coreactant acceleration was proposed to enhance the ECL performance. Via an in situ self-assembly method, the luminophore (Ru(dcbpy)32+) and the coreactant (NGQDs) were simultaneously encapsulated within the zirconium imidazolate framework-8 (ZIF-8) to form Ru-NGQDs@ZIF-8 composites. The porous structure of ZIF-8 confines both components, thereby shortening the electron-transfer pathway and reducing energy loss. Meanwhile, ZIF-8 itself also acts as a coreaction accelerator, which significantly enhances the ECL efficiency. On this basis, a self-enhanced ECL-electrochemical (EC) dual-mode aptasensor was developed for acetamiprid detection, exhibiting a linear range of 1 pM-100 nM and a low detection limit of 0.046 pM. This work develops a simple and efficient one-step synthesis method for self-enhanced ECL composites, and the constructed dual-mode aptasensor exhibits promising applications for the detection of acetamiprid.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"33 1","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221656","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}