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Application of photopharmacology in agrochemicals 光药理学在农药中的应用
Pub Date : 2023-06-01 DOI: 10.1016/j.aac.2023.04.002
Wen Fu , Zhong Li , Xusheng Shao

Photopharmacology is a novel technology in drug design that aims at solving poor drug selectivity. This technology is currently in the proof-of-concept phase and relies on the photoactivation or inactivation of photochromic ligands (PCLs) to regulate biological functions and living organisms. As potential molecular tools in future agriculture 4.0, the photochromic pesticides are effective in optical control of receptors, ion channels, living behaviors, and enzymes, which displays an innovative way of pesticide discovery. In this review, we highlight the progresses of the photoisomerized insecticides and fungicides. By integrating photoswitches, such as azobenzenes and diarylethenes, into pesticide molecules, several PCLs were developed for optical regulation of important insect or fungi targets in vivo, including GABARs, RyRs, nAChRs, SURs, sodium channels, GluCls, and SDH. The results are highly significant in revealing interactions of agrochemicals with their targets, biological functions, and living behaviors, and provide powerful toolkits in understanding ligand-receptor interactions. Moreover, there is a growing demand for a diverse range of PCLs, particularly those that are sensitive to red and NIR light or sunlight, for actual field use in agriculture. We envision that this particular mode of pesticide discovery is of great promise for overcoming the challenges posed by the improper use of agrochemicals.

光药理学是一种新的药物设计技术,旨在解决药物选择性差的问题。该技术目前处于概念验证阶段,依赖于光致变色配体(PCLs)的光活化或失活来调节生物功能和生物体。作为未来农业4.0的潜在分子工具,光致变色农药在受体、离子通道、生活行为和酶的光学控制方面是有效的,这显示了一种创新的农药发现方式。本文着重介绍了光异构化杀虫剂和杀菌剂的研究进展。通过将光开关(如偶氮苯和二芳基乙烯)整合到农药分子中,开发了几种用于体内重要昆虫或真菌靶标的PCL,包括GABARs、RyRs、nAChRs、SURs、钠通道、GluCls和SDH。该结果在揭示农用化学品与其靶标、生物功能和生活行为的相互作用方面具有重要意义,并为理解配体-受体相互作用提供了强大的工具包。此外,对各种PCL的需求越来越大,特别是对红光和近红外光或阳光敏感的PCL,用于农业的实际现场使用。我们设想,这种特殊的农药发现模式对克服不当使用农用化学品带来的挑战具有很大的前景。
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引用次数: 5
Discovery of tetrazolium nicotinamide derivatives as novel 4-Hydroxyphenylpyruvate dioxygenase inhibiting-based herbicides 新型4-羟基苯基丙酮酸双加氧酶抑制剂四氮唑烟酰胺衍生物的发现
Pub Date : 2023-06-01 DOI: 10.1016/j.aac.2023.05.001
Li-Jun Chen , Guang-Yi Huang , Jin Dong, Zhuo-Mei Cai, Bao-Qing Ye, Qiong Chen, Hong-Yan Lin

4-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27, HPPD) is currently one of the popular targets of herbicide research, and herbicides targeting it have shown promising results in treating resistant weeds. However, the long-term application of HPPD inhibitors with in their classical scaffolds inevitably leads to the development of drug resistance. To further delay the underlying development of weed resistance to HPPD inhibitors, we successfully screened HPPD inhibitor pharmacophore with novel chelate structures using computer-aided drug molecular design and obtained 2-trifluoromethyltetrazolium nicotinamide derivatives through active fragment splicing. Among these derivatives, 6-(3,3-diethyl-1-methylureido)-N-(1-methyl-1H-tetrazol-5-yl)-2-(trifluoromethyl)nicotinamide (compound 31), exhibited the most promising in vitro enzyme inhibitory activity, with IC50 value of 0.072 μM, which was approximately five times better than that of the control agent mesotrione (IC50 = 0.363 μM). The crystal structure of the AtHPPD complexed with compound 31 (2.0 Å) and the binding energy calculations of the representative compounds revealed several important interactions of the ligand binding to the target protein, which explained the superior enzyme inhibitory activity of the compounds at the molecular level. In addition, compounds 7 and 31 possessed 100% inhibition against the five target weeds at the tested dosage and both were more effective against Setaria viridis than mesotrione. In general, it is promising to design novel HPPD inhibitors by developing novel chelating structures, and compounds 7 or 31 could be used as the leads for further development of valuable HPPD inhibitors.

4-羟基苯基丙酮酸双加氧酶(EC 1.13.11.27,HPPD)是目前除草剂研究的热门靶点之一,针对它的除草剂在处理抗性杂草方面显示出良好的效果。然而,HPPD抑制剂在其经典支架中的长期应用不可避免地会导致耐药性的发展。为了进一步延缓杂草对HPPD抑制剂耐药性的潜在发展,我们使用计算机辅助药物分子设计成功筛选了具有新型螯合结构的HPPD抑制剂药效团,并通过活性片段剪接获得了2-三氟甲基四氮唑烟酰胺衍生物。在这些衍生物中,6-(3,3-二乙基-1-甲基脲基)-N-(1-甲基-1H-四唑-5-基)-2-(三氟甲基)烟酰胺(化合物31)表现出最有前途的体外酶抑制活性,IC50值为0.072μM,其大约是对照剂中三酮的五倍(IC50=0.363μM)。与化合物31(2.0Å)络合的AtHPPD的晶体结构和代表性化合物的结合能计算揭示了配体与靶蛋白结合的几个重要相互作用,这解释了化合物在分子水平上具有优异的酶抑制活性。此外,在测试剂量下,化合物7和31对五种目标杂草具有100%的抑制作用,并且两者对狗血藤的抑制作用都比中三酮更有效。通常,通过开发新的螯合结构来设计新的HPPD抑制剂是有希望的,化合物7或31可以作为进一步开发有价值的HPPD抑制物的先导。
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引用次数: 0
Design, synthesis and biological evaluation of thiazole and imidazo[1,2-a]pyridine derivatives containing a hydrazone substructure as potential agrochemicals 含腙亚结构的噻唑和咪唑[1,2-a]吡啶衍生物的设计、合成和生物学评价
Pub Date : 2023-06-01 DOI: 10.1016/j.aac.2023.04.001
Xiaofang Yao , Rongrong Zhang , Bo Lv , Wei-Wei Wang , Zhigang Liu , Zhaonong Hu , Ding Li

Agricultural chemicals with multifunctional applications in crop protection have attracted increasing attention. Herein, two new series of thiazole and imidazo[1,2-a]pyridine derivatives containing a hydrazone substructure were designed and synthesized via a concise synthesis route. Bioassay results showed that most of the thiazole derivatives exhibited broad-spectrum fungistatic activities, which were exemplified by compounds 1c, 1e, 1g, 1h and 1j. In particular, compound 1e displayed excellent in vitro inhibitory effects with the EC50 values of 5.00, 18.24, 6.94, and 3.03 μg/mL against the fungi Botrytis cinerea, Cytospora sp, Fusarium graminearum, and Fusarium solani, respectively. Detached fruit experiments against tomato gray mold (caused by B. cinerea) in vivo revealed that the control efficiency of compound 1e at 10, 20 and 40 μg/mL for 5 days was 35.05%, 54.14% and 81.83%, respectively, which was comparable and even superior to that of the fungicide carbendazim. Additionally, the title compounds also showed remarkable larvicidal activity against M. separata and some compounds exhibited good aphicidal activity. In a word, the bioassay indicated that a certain number of title compounds had multiple biological activities. Given their excellent antifungal and larvicidal characteristics, these interesting derivatives based on the title compounds could be served as new scaffolds for the development of pesticide with multifunctional applications.

农用化学品在作物保护中的多功能应用越来越受到关注。本文设计并合成了两个新系列的含有腙亚结构的噻唑和咪唑并[1,2-a]吡啶衍生物。生物测定结果表明,大多数噻唑衍生物都表现出广谱的抑菌活性,化合物1c、1e、1g、1h和1j就是例证。特别是,化合物1e对真菌灰葡萄孢(Botrytis cinerea)、胞孢菌(Cytospora sp)、禾谷镰刀菌(Fusarium graminearum)和龙葵镰刀菌的EC50值分别为5.00、18.24、6.94和3.03μg/mL,表现出优异的体外抑制作用。离体番茄灰霉菌实验表明,化合物1e在10、20和40μg/mL浓度下连续5天的防治效果分别为35.05%、54.14%和81.83%,与杀菌剂多菌灵相当,甚至优于多菌灵。此外,标题化合物对分离分枝杆菌也表现出显著的杀幼虫活性,一些化合物表现出良好的杀蚊活性。总之,生物测定表明,一定数量的标题化合物具有多种生物活性。鉴于其优异的抗真菌和杀幼虫特性,这些基于标题化合物的有趣衍生物可以作为开发具有多功能应用的农药的新支架。
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引用次数: 1
Fluorescent probes for the detection of biogenic amines, nitrite and sulfite in food: Progress, challenges and perspective 荧光探针检测食品中生物胺、亚硝酸盐和亚硫酸盐:进展、挑战和展望
Pub Date : 2023-06-01 DOI: 10.1016/j.aac.2023.03.001
Jin Zhang , Chenyang Yue , Yingjun Ke , Hemi Qu , Lintao Zeng

Foodborne contaminants such as biogenic amines (BAs), nitrite and sulfite are harmful to human health. To safeguard food safety, the content of BAs, nitrite and sulfite should be strictly controlled. Small-molecule fluorescent probes are a promising analytical tool for monitoring BAs, nitrite and sulfite because they are highly sensitive and selective, offer simplicity of operation, and can enable optical signal visualization of the analyte. In this review, we summarize the most recent progress on the development of fluorescent probes for selectively detecting BAs, nitrite, and sulfite. In particular, we discuss the working mechanisms, sensing performance, and practical applications of various fluorescent probes that have been developed in recent years for detecting BAs, nitrite, and sulfite, with a particular emphasis on the utilization of these probes in food. Lastly, we discuss the research directions, trends, and prospects of molecular fluorescent probes in food applications in the future. We hope this review can offer conceptual and design guidance for researchers and practitioners to develop novel fluorescent probes for food safety.

生物胺、亚硝酸盐和亚硫酸盐等食源性污染物对人体健康有害。为了保障食品安全,应严格控制BA、亚硝酸盐和亚硫酸盐的含量。小分子荧光探针是监测BA、亚硝酸盐和亚硫酸盐的一种很有前途的分析工具,因为它们具有高度灵敏和选择性,操作简单,并且可以实现分析物的光学信号可视化。在这篇综述中,我们总结了选择性检测BA、亚硝酸盐和亚硫酸盐的荧光探针的最新进展。特别是,我们讨论了近年来开发的用于检测BA、亚硝酸盐和亚硫酸盐的各种荧光探针的工作机制、传感性能和实际应用,特别强调了这些探针在食品中的应用。最后,我们讨论了分子荧光探针在食品应用中的研究方向、趋势和前景。我们希望这篇综述能为研究人员和从业者开发新型食品安全荧光探针提供概念和设计指导。
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引用次数: 10
Research process in application of fluorescent sensor for pesticide detection 荧光传感器在农药检测中的应用研究进展
Pub Date : 2023-06-01 DOI: 10.1016/j.aac.2023.02.003
Zongyan Quan, Hongjuan Li, Shiguo Sun, Yongqian Xu

The survival of human beings is inseparable from the development of agriculture. The use of pesticides is still an important means to ensure agricultural production, economic benefits and the national economy. With the abuse of pesticides, some pesticides are difficult to degrade after entering the natural world, which leads to many serious problems through the transmission and enrichment of food chains. Pesticide residue detection is a long-term challenge in the field of environment and food safety detection. In recent years, a large number of studies have been carried out on the detection of pesticide residues based on fluorescence sensing methods. This paper focuses on the application of fluorescence sensors in environmental samples or food, and analyzes the advantages and problems of existing fluorescence sensors in design, construction and data processing. Finally, the possible improvement directions in the future are discussed to promote its potential commercial value application research.

人类的生存离不开农业的发展。农药的使用仍然是确保农业生产、经济效益和国民经济的重要手段。随着农药的滥用,一些农药进入自然世界后很难降解,这通过食物链的传播和富集导致了许多严重的问题。农药残留检测是环境和食品安全检测领域的一个长期挑战。近年来,基于荧光传感方法的农药残留检测进行了大量研究。本文重点介绍了荧光传感器在环境样品或食品中的应用,并分析了现有荧光传感器在设计、施工和数据处理方面的优势和问题。最后,讨论了未来可能的改进方向,以促进其潜在的商业价值应用研究。
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引用次数: 0
Biphasic impacts of graphite-derived engineering carbon-based nanomaterials on plant performance: Effectiveness vs. nanotoxicity 石墨衍生的工程碳基纳米材料对植物性能的双相影响:有效性与纳米毒性
Pub Date : 2023-06-01 DOI: 10.1016/j.aac.2023.01.001
Qingnan Wu , Chenjie Fan , Hezhong Wang , Yanlai Han , Fuju Tai , Jiakai Wu , Hui Li , Rui He

Graphite-derived carbon-based nanomaterials (GCNMs) as an exciting class of engineering carbonmaterials have been extensively exploited in environment and agriculture for pollution restorer, environmental purifier, plant growth stimulant, and stress resistance inducer. With the increasing demand of production in past decades, GCNMs were inevitably released into the natural environment and became emerging pollutants.

This review briefly summarized the recent progress on GCNMs-plant interaction with positive and negative sides, and discussed the biphasic (stimulatory-inhibitory) regulation of GCNMs on plant systems. The emphasis was placed on disseminating the latest scientific research, covering various effectiveness of GCNMs on plants and cells as well as nanotoxicity. Particularly, it is highlighted that fullerenes, carbon nanotubes, graphenes, and their functionalized forms as the representative zero-, one-, and two-dimensional GCNMs in optimum quantity have favorable efficacy on plants for seed germination, growth and development, fruit and productivity, and stress tolerance. On the contrary, GCNMs have possibly induced cytotoxicity and phytotoxicity on plant at anatomic, physiological, and genetic levels. The toxic mechanisms were mainly attributed to ion leakage from membrane, chloroplast damage, decreasing the levels of photosynthetic/nonphotosynthetic pigments and plant hormones, downregulating activities of metabolism and enzymatic/non-enzymatic antioxidant systems, or triggering ROS increase for inducing oxidative stress. This comprehensive review provides an in-depth insight of advanced progress made toward the utilization of GCNMs in plant science fields as well as current challenges. Future perspectives on a directional guide for further research in the emerging area of GCNMs-enabled phytonanotechnology are summarized at the end. This will possibly provide an important reference role for further study and rational application of GCNMs in agriculture.

石墨衍生碳基纳米材料(GCNMs)作为一类令人兴奋的工程碳材料,在环境和农业中被广泛开发用于污染修复剂、环境净化器、植物生长促进剂和抗逆性诱导剂。在过去的几十年里,随着生产需求的增加,GCNMs不可避免地被释放到自然环境中,并成为新出现的污染物。本文简要综述了GCNMs与植物正、负相互作用的最新进展,并讨论了GCNMs对植物系统的双相(刺激-抑制)调控。重点是传播最新的科学研究,涵盖GCNMs对植物和细胞的各种有效性以及纳米毒性。特别是,值得强调的是,富勒烯、碳纳米管、石墨烯及其功能化形式作为最佳数量的代表性零、一和二维GCNMs,对植物的种子发芽、生长发育、果实和生产力以及抗逆性具有良好的功效。相反,GCNMs可能在解剖、生理和遗传水平上对植物产生细胞毒性和植物毒性。毒性机制主要归因于膜离子泄漏、叶绿体损伤、降低光合/非光合成色素和植物激素水平、下调代谢和酶促/非酶促抗氧化系统的活性,或触发ROS增加以诱导氧化应激。这篇全面的综述深入了解了GCNMs在植物科学领域的应用进展以及当前的挑战。最后总结了GCNMs支持的植物纳米技术新兴领域进一步研究的方向指南的未来前景。这将为GCNMs在农业中的进一步研究和合理应用提供重要的参考作用。
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引用次数: 7
Peptides, new tools for plant protection in eco-agriculture 肽,生态农业植物保护的新工具
Pub Date : 2023-03-01 DOI: 10.1016/j.aac.2023.01.003
Yi-Meng Zhang , De-Xing Ye , Yan Liu , Xin-Yuan Zhang , Yuan-Lin Zhou , Li Zhang , Xin-Ling Yang

As important physiological regulators, peptides have been used in many fields including medicine, cosmetics, healthcare products, animal nutrition and health, and plant nutrition and protection. In recent years, peptides have become a popular research subject in plant protection as antimicrobial and immune inducers, plant growth regulators, insecticides, and herbicides for their extensive raw material sources, excellent activity, and ideal environmental compatibility. This paper briefly introduces peptide research progress, presents an overview of peptide studies in plant protection, and summarizes the application of the peptides in plant protection and prospects for peptides as green agrochemicals.

肽作为重要的生理调节剂,已被广泛应用于医药、化妆品、保健品、动物营养与健康、植物营养与保护等领域。近年来,肽以其丰富的原料来源、优异的活性和理想的环境相容性,成为植物保护中的一个热门研究课题。本文简要介绍了肽的研究进展,综述了肽在植物保护中的研究概况,总结了肽在作物保护中的应用以及肽作为绿色农药的前景。
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引用次数: 7
Shining light on plant health: Detecting salt stress with a near-infrared fluorescent probe 照亮植物健康:用近红外荧光探针检测盐胁迫
Pub Date : 2023-03-01 DOI: 10.1016/j.aac.2023.02.004
Xiaogang Liu

Salt stress remains a significant challenge for crop growth and food security. The development of effective analytical tools for salt stress-related studies is of great importance. Recently, Yang and Yin et al. have developed a novel biosensor that effectively traces salt stress in plants, based on salt-induced molecular J-aggregation and the corresponding changes in fluorescence signals.

盐胁迫仍然是作物生长和粮食安全面临的重大挑战。为盐胁迫相关研究开发有效的分析工具具有重要意义。最近,Yang和Yin等人。基于盐诱导的分子J聚集和荧光信号的相应变化,开发了一种有效跟踪植物盐胁迫的新型生物传感器。
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引用次数: 1
Agroactive volatile organic compounds from microbes: Chemical diversities and potentials of application in crop protection 微生物中的农业活性挥发性有机化合物:化学多样性及其在作物保护中的应用潜力
Pub Date : 2023-03-01 DOI: 10.1016/j.aac.2022.12.004
Kaimei Wang, Shaoyong Ke, Wei Fang, Fang Liu, Zhigang Zhang

Synthetic chemicals have been widely used in modern agriculture as fertilizer, plant growth regulators and pesticides. Although the chemical inputs improved the crop production, it is well known about their negative effects, such as environmental residues in water, soil and animals, pest resistance and resurgence and the residues in agricultural produces. The demands for safer food and more friendly environment are now more preferred by humankind in the world. Microbes have already become an alternate for chemical inputs in some aspects in agriculture. The microbes can produce very diverse volatile organic compounds (mVOCs) which play important roles in the interactions between plant and microbes, or among intraspecies or interspecies of microbes. Many mVOCs showed diverse agroactivities, such as insecticidal, bactericidal, fungicidal, herbicidal, plant growth promotion and abiotic stress-tolerance inducing activities. The agroactive mVOCs have diverse structure-types, such as alkane, alkenes, alcohols, aldehydes, ketones, carboxylic acid, esters and lactones, ethers, aromatic ring, terpenes, heterocycles, sulphur-containing VOCs. The promising agroactive properties make it possible to apply mVOCs and their producing microorganisms or synthetic mimics or agroactive mVOCs in crop protection, and so this review focuses on the chemical diversity, agroactivities, and potential application of mVOCs.

合成化学品在现代农业中被广泛用作肥料、植物生长调节剂和杀虫剂。尽管化学投入改善了作物生产,但众所周知,它们的负面影响,如水、土壤和动物中的环境残留物、害虫的抗性和死灰复燃以及农产品中的残留物。对更安全的食物和更友好的环境的需求现在更受世界人类的青睐。在农业的某些方面,微生物已经成为化学物质输入的替代品。微生物可以产生非常多样化的挥发性有机化合物(mVOCs),这些化合物在植物与微生物之间、种内或种间微生物之间的相互作用中发挥着重要作用。许多mVOCs表现出不同的农业活性,如杀虫、杀菌、杀菌、除草、促进植物生长和诱导非生物胁迫的活性。农业活性mVOCs具有多种结构类型,如烷烃、烯烃、醇、醛、酮、羧酸、酯和内酯、醚、芳环、萜烯、杂环、含硫VOCs。mVOCs及其产生微生物或合成模拟物或具有农业活性的mVOCs具有良好的农业活性,有可能应用于作物保护,因此本文重点介绍了mVOCs的化学多样性、农业活性和潜在应用。
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引用次数: 1
Biosynthesis of nanocrystalline silver chloride with high antibacterial activity using bacterial extracts 利用细菌提取物生物合成具有高抗菌活性的纳米氯化银
Pub Date : 2023-03-01 DOI: 10.1016/j.aac.2022.12.002
Fangze Gui , Wenjing Mo , Xueping Guo , Fang Cao , Tianyun Zhai , Ciqing Hong , Xiong Guan , Binbin Huang , Xiaohong Pan

The traditional synthesis of nano silver chloride involves chemical precipitation or physical methods. Due to the hazardous substances generated during the synthesis, it can cause environmental pollution. In this study, a green and facile method is described to biosynthesize nano-silver chloride with excellent antibacterial activity via in situ reduction of Ag + using the extract of Bacillus thuringiensis (Bt). Compared with previous reports, the minimal inhibition concentration (MIC) against Escherichia coli (E. coli) is 3.0 μg/mL, which is 2– to 800-fold higher than that of nano silver chloride. Subsequent in vitro studies involving agricultural bacteria such as Ralstonia solanacearum (R. solanacearum) revealed a 92.95% antibacterial rate when the concentration of nano-silver chloride was 2.0 μg/mL. Previous studies of antibacterial activity of nano-silver chloride focused more on the basic antibacterial properties without describing its antibacterial molecular mechanisms. The microscopic investigations and DNA damage experiments indicated that the nano-silver chloride adsorbed to the bacterial surface, leading to cell wall rupture, DNA damage, and cytoplasmic leakage. In addition, electron paramagnetic resonance (EPR) spectroscopy indicated the synthesis of reactive oxygen species (·OH, ·O2− and 1O2) in the bacteria. Our study provides evidence supporting the use of nano-silver chloride as an antibacterial agent in agriculture, and theoretical insight into the antibacterial mechanism thereof.

传统的纳米氯化银的合成包括化学沉淀或物理方法。由于合成过程中产生的有害物质,会造成环境污染。本研究采用苏云金芽孢杆菌(Bt)提取物原位还原Ag+,合成具有良好抗菌活性的纳米氯化银。与以前的报道相比,对大肠杆菌的最小抑制浓度(MIC)为3.0μg/mL,比纳米氯化银高出2至800倍。随后对农业细菌如青枯菌(R.solanacearum)的体外研究表明,当纳米氯化银的浓度为2.0μg/mL时,其抗菌率为92.95%。先前对纳米氯化银抗菌活性的研究更多地集中在基本抗菌性能上,而没有描述其抗菌分子机制。显微镜研究和DNA损伤实验表明,纳米氯化银吸附在细菌表面,导致细胞壁破裂、DNA损伤和细胞质渗漏。此外,电子顺磁共振(EPR)谱表明细菌中合成了活性氧(·OH、·O2−和1O2)。我们的研究为纳米氯化银作为抗菌剂在农业中的应用提供了证据,并对其抗菌机理提供了理论见解。
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引用次数: 1
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Advanced Agrochem
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