Research Publications (Food Safety)

The retention time (log tR) of pesticidal compounds in a reverse-phase high-performance liquid chromatography (HPLC) analysis has a direct relationship with lipophilicity, which could be related to the ecotoxicity potential of the compounds. The novel quantitative read-across structure–property relationship (q-RASPR) modeling approach uses similarity-based descriptors for predictive model generation.

Thionins are important antibacterial peptides in plants. However, the roles of plant thionins, especially the defensin-dissimilar thionins, in alleviating heavy-metal toxicity and accumulation remain unclear.

To replace biohazardous nematicides, there is an ever-increasing need to identify natural product-based agents to contain root-knot nematodes (RKNs) in agriculture. In this chemical ecology study, an antagonistic fungus Aspergillus fumigatus 1T-2, which could cause the formation of withering of the gut and vacuole-like structures in the nematode body, was isolated based on the gradually increased antagonistic interactions between the soil fungi and RKNs.

The western flower thrips (Frankliniella occidentalis) is a major pest insect in agriculture. However, few insecticides are effective for their control. The recombinant gamma-aminobutyric acid receptor-associated protein (rGABARAP) was examined as a potential target of the monoterpenoids responsible for their insecticidal activities. The insecticidal activity of anethole, linalool, and methyl eugenol (ME) was evaluated in the laboratory.

Synthetic pesticides are often associated with issues such as pest resistance, persistent residue, nontarget toxicity, and environmental issues. Therefore, the research and development of novel, safe, and effective pesticides has become a focus in pesticide discovery. Monoterpenes are secondary plant metabolites that commonly have multiple action targets and have been used in aromatherapy, alternative medicine, and food industries. Some are highly potent and stereoselective.

As our further research, a series of new 7-chloro-9-methyl-2-phenyl-3,4-dihydro-β-carbolin-2-iums were designed and synthesized. Twelve compounds were found with excellent inhibition activity in vitro on three to five out of six phytopathogenic fungi, superior to standard drugs thiabendazole and/or azoxystrobin. Especially, 18 displayed the highest activity against three out of the fungi and the highest comprehensive activity for all of the fungi.

A colorimetric assay based on an enzyme-inhibition strategy is promising for the on-site detection of pesticide residues. Due to the high cost and low stability of enzymes, nanozymes (nanomaterials with enzyme-like activities) are widely developed as substitutes of enzymes. However, the inhibition of pesticides toward enzymes and nanozymes generally lacks selectivity. It is of great significance and challenge to design a specific pesticide assay based on an activity-inhibition strategy.

Hydrolysis, photolysis, and soil degradation are important degradation pathways of pesticides and might generate toxic chemicals and pose threats to the environment. Sulfoxaflor is a widely used neonicotinoid pesticide, but few studies have been conducted to research its environmental behaviors and residues. Herein, the hydrolysis and photolysis of sulfoxaflor in water and degradation in four typical Chinese soils were systematically studied.

Over the years, scaffold hopping has proven to be a powerful tool in the agrochemical optimization process. It offers the opportunity to modify known molecular lead structures to improve a range of parameters, including biological efficacy and spectrum, physicochemical properties, toxicity, stability, and to secure new intellectual property.

Pyruvate kinase (PK) has been considered as a promising fungicide target discovered in our previous studies. Natural compounds are important sources for discovery and development of new pesticides. To continue our ongoing studies on the discovery of novel PK-targeted fungicides, a series of novel psoralen derivatives including a 1,3,4-oxadiazole moiety were designed by a computer-aided pesticide molecular design method, synthesized, and evaluated for their fungicidal activity.

In this study, a type of magnetic photoaffinity-labeled activity-based protein profiling probe for sulfonamide drugs was first synthesized for the purpose of capturing the natural dihydropteroate synthase of Escherichia coli by using simple incubation and magnetic separation. After characterization of its identity with LC-ESI-MS/MS, this enzyme was used as a recognition reagent to develop a direct competitive pseudo-ELISA for the determination of the residues of 40 sulfonamides in pork.

Trimethylamine N-oxide (TMAO) is a pro-atherosclerotic product of dietary choline metabolism generated by a microbiome–host axis. The first step in this pathway is the enzymatic metabolism of choline to trimethylamine (TMA) by the gut microbiota. This reaction could be targeted to reduce atherosclerosis risk.

Doxycycline residues in claws may pose a potential risk to humans. A study with broiler chickens was performed to find the concentrations of doxycycline in claws after treatment. For the quantification of the antibiotic of interest in claws, an ultrahigh-performance liquid chromatography–tandem mass spectrometry method was developed.

In response to the invasion of plant viruses and pathogenic fungi, higher plants produce defensive allelochemicals. Finding candidate varieties of botanical pesticides based on allelochemicals is one of the important ways to create efficient and green pesticides. Here, a series of camalexin derivatives based on a phytoalexin camalexin scaffold were designed, synthesized, and assessed for their antiviral and fungicidal activities systematically.

Pest management is mostly accomplished by the use of insecticides. However, the overuse of insecticides has led to the development of resistance. Glutathione S-transferases (GSTs) are vital detoxification enzymes involved in insecticide resistance in insects. In this study, we report the involvement of GSTs in insecticide resistance to lambda-cyhalothrin in Cydia pomonella, a globally quarantined fruit pest.

Microbial bioremediation is a very potent and eco-friendly approach to alleviate pesticide pollution in agricultural ecosystems, and hydrolase is an effective element for contaminant degradation. In the present study, a novel Mn2+-dependent esterase, PchA, that efficiently hydrolyzes carbamate pesticides with aromatic structures was identified from Pseudomonas sp. PS21. The hydrolytic activity was confirmed to be related closely to the core catalytic domain, which consists of six residues.

Mycoplasma gallisepticum (MG) is the primary pathogen of chronic respiratory diseases (CRDs) in chickens. In poultry production, antibiotics are mostly used to prevent and control MG infection, but the drug resistance and residue problems caused by them cannot be ignored. Glycyrrhizic acid (GA) is derived from licorice, a herb traditionally used to treat various respiratory diseases.

Laccase is a novel target for fungicides. We previously developed a new fungicide, 4-chlorocinnamaldehyde thiosemicarbazide (PMDD-5Y), as a laccase inhibitor. The introduction of active groups of natural products into the framework of a pesticide molecular structure is an effective method for discovering active lead compounds, and it has applications in the discovery of new pesticides.

Electrospinning has the advantages of simple manufacturing equipment, a low spinning cost, wide range of spinnable materials, and a controllable mild process, which can continuously fabricate submicron or nanoscale ultrafine polymer fibers without high temperature or high pressure. The obtained nanofibrous films may have a large specific surface area, unique pore structure, and easy-to-modify surface characteristics.

Pollen is a source of nutrients for honeybees (Apis mellifera L.) and suitable for human consumption as well. In our research, a multiresidue method for pesticide determination was developed and validated for the bee pollen matrix. 247 components met the validation criteria for limit of detection, limit of quantification, linearity, and interday repeatability. Average recoveries varied between 70 and 120% except for 14 analytes, which were corrected during on-going validation.

Pyruvate kinase (PK) was discovered as a potent new target for novel fungicide development. A series of novel triazolothiadiazine derivatives were rationally designed and synthesized by a ring expansion strategy and computer-aided pesticide design using the 3D structure of Rhizoctonia solani PK (RsPK) obtained by homology modeling as a receptor and our previously discovered lead YZK-C22 as a ligand.

Thyreostatic drugs (thyreostats) interfere with thyroid function and have been used illegally in animals slaughtered for food. Thyreostat use leads to poorer quality meat, and the drug residues can cause adverse effects in humans. These drugs, with the exception of thiouracil, do not occur naturally and require sensitive methodologies for their detection in animal tissues.

Triazine herbicides (TRZHs) are widely used in agricultural production, but their improper use can threaten the environment and organisms. Herein, rapid extraction of four chlorotriazine herbicides (Cl-TRZHs) in irrigation water was achieved using an ionic liquid modified porous m-aminophenol formaldehyde resin (IL-MAPFR) as a dispersive filter extraction (DFE) adsorbent.

Up to now, a total of 24 succinate dehydrogenase inhibitors (SDHIs) fungicides have been commercialized, and SDHIs fungicides were also one of the most active fungicides developed in recent years. Carboxamide derivatives represented an important class of SDHIs with broad spectrum of antifungal activities. In this review, the development of carboxamide derivatives as SDHIs with great significances were summarized.

Protoporphyrinogen oxidase (PPO, EC 1.3.3.4) is an important target for discovering novel herbicides, and it causes bleaching symptoms by inhibiting the synthesis of chlorophyll and heme. In this study, the active fragments of several commercial herbicides were joined by substructure splicing and bioisosterism, and a series of novel diphenyl ether derivatives containing five-membered heterocycles were synthesized.