查找使用阿拉丁产品的科研文献

Effect of tannic acid binding on the thermal degradation behavior and product toxicity of boscalid

Shaofeng Yuan,Jian Yang,Xiaoyan Fu,Hang Yu,Yahui Guo,Yunfei Xie,Yuan Xiao,Yuliang Cheng,Weirong Yao

The effect of tannic acid (TA) binding on the thermal degradation of boscalid was studied in this work. The results revealed that TA binding has a significant impact on boscalid degradation. The degradation rate constant of bound boscalid was reduced, and its corresponding half-life was significantly prolonged compared to the free state. Four identical degradation products were detected in both states through UHPLC-Q-TOF-MS, indicating that degradation products were not affected by TA binding. Based on DFT and MS analysis, the degradation pathways of boscalid included hydroxyl substitution of chlorine atoms and cleavage of C N and C C bonds. The toxicity of B2 and B3 exceeded that of boscalid. In summary, the binding of TA and boscalid significantly affected the thermal degradation rate of boscalid while preserving the types of degradation products. This study contributed to a fundamental understanding of the degradation process of bound pesticide residues in complex food matrices.

Exogenous 24-epibrassinolide activates detoxification enzymes to promote degradation of boscalid in cherry tomatoes

Yajie Yang,Linchun Mao,Weiliang Guan,Xiaobo Wei,Yelin Shao,Zisheng Luo,Xingyu Lin,Li Li

BACKGROUND Boscalid is often used to extend the storage time of postharvest cherry tomato. Pesticide residue has become an issue of food safety. This study sought to investigate the spatial distribution of boscalid residue in cherry tomato fruits and to determine the effect of 24-epibrassinolide (EBR) in promoting boscalid degradation. RESULTS Boscalid could quickly penetrate into cherry tomatoes, but mainly remained in the peel. The migration of boscalid from the peel into the core was a time-consuming and complex process during storage. After 72 h, boscalid residues in the pulp and the core began to accumulate gradually. The exogenous application of EBR activated peroxidase, glutathione reductase and glutathione S -transferase, and effectively promoted the degradation of boscalid by a maximum decrease of 44.8% in peel, 54.0% in pulp and 71.2% in core. CONCLUSION As one of the common pesticides, boscalid had a strong ability to enter the cherry tomato and thus become a potential risk for public consumption. Therefore, rational use of pesticides is recommended. The results of this study indicate that the possible risk of boscalid residue could be alleviated by EBR pretreatment through activating detoxification enzymes. © 2020 Society of Chemical Industry

Three pesticide-pesticide eutectic systems of boscalid: Mechanochemical preparation, characterization and mechanism analysis

Zeren Shang,Weiguo Hu,Guangle Wang,Chenyang Zhao,Ning Wei,Tong Deng,Baohong Hou,Songgu Wu,Junbo Gong

Preparation of eutectic mixture is considered to be an efficient means to improve physical and chemical properties in many fields. In this work, three pesticide-pesticide eutectic systems of boscalid with diniconazole, uniconazole and 3,6-dichloropicolinic acid were prepared by mechanochemical method. The formation of eutectic mixtures was identified by differential scanning calorimetry and powder X-ray diffraction characterizations. From the constructed solid–liquid phase diagrams, it is discovered that these eutectic systems could form a eutectic when the molar fraction of boscalid is 0.500. In addition, all eutectic temperatures are more than 29 K lower than the higher melting points of the constituents in the systems, which eliminates the issue of the poor thermal stability of constituents and enables the treatment of them using melting-based operations. Ideal model and COSMO-RS theory also calculate these solid–liquid phase diagrams relatively accurately, and the calculated activity coefficient values prove that these systems do not deviate significantly from the ideal state. The distinct non-ideality at the eutectic composition of the three systems also suggests that the interactions of the three coformers and the boscalid differ. The formation of eutectic mixtures was further confirmed by other solid state characterizations including mid-infrared spectroscopy, Raman spectroscopy and etc. The accelerated stability test indicates the good stability of the three eutectic mixtures. Furthermore, the water solubility study suggests the boscalid in the eutectic systems has a higher solubility than raw boscalid. By using COSMO-RS modelling, the most typical homo/hetero-molecular complexes of these pesticides were obtained and analyzed. Based on the trend of affinity characterized by the Gibbs free energy of the generation of molecular complexes, it could be inferred that eutectic point could be viewed as the state for which affinity of hetero-molecular complexes is greatest. The affinity of hetero-molecular complexes also presents the interaction between boscalid and 3,6-dichloropicolinic acid is greater than the other two pesticides at the eutectic point. Furthermore, the calculated solvation free energies document the intermolecular interaction plays an important role in stabilizing the three eutectic systems. These eutectic systems solve the problem that the three coformers are unsuitable for melting-based procedures and improve the solubility, making them potential options for future pesticide formulation development.

In-situ quantitative prediction of pesticide residues on plant surface by ATR-FTIR technique coupled with chemometrics

Gaoqiang Lv,Didi Shan,Yongge Ma,Wenya Zhang,Duobujie Ciren,Shuo Jiang,Bojun Dang,Jiashun Zhang,Weihong Sun,Hanping Mao

Pesticide residues on plant surfaces pose a severe threat to food security, yet most research has focused on monitoring the liquid matrix, with few reports conducting in-situ analysis of the residues. This study was the first to attempt to utilize portable attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) for in-situ characterization of broad-spectrum fungicide boscalid residues on plant surfaces. ATR-FTIR scanning of tomato fruits with pre-determined concentrations of boscalid residues was conducted without any pre-treatment, and the obtained spectra were then processed using chemometrics methods. The results demonstrated a negative correlation between the residual concentrations and their corresponding absorption intensities of several well-resolved peaks from the spectra, resulting in a high accuracy of 93.33% for the classification model created by probabilistic neural network (PNN) coupled with principal component analysis (PCA). By employing correlation analysis and the interval partial least squares method (iPLS), quantitative analysis was conducted on the wavenumber ranges of 1000–1800 cm −1 and 2700–2900 cm −1 from the spectra. The regression model, established through partial least squares regression (PLSR), demonstrated exceptional performance with an R 2 value of 0.80, RMSE of 1.02 μg/cm 2 , RPD of 2.0, and RPIQ of 2.1 for validation. Meanwhile, the detection limit (LOD) of the model was calculated as 3.06 μg/cm 2 . This report highlights the potential of using portable ATR-FTIR for conducting qualitative and quantitative monitoring of pesticide residues both in-situ and on-site. It also provides references for other measuring techniques.

Design, Synthesis, Fungicidal Activity, and Unexpected Docking Model of the First Chiral Boscalid Analogues Containing Oxazolines

Shengkun Li,Dangdang Li,Taifeng Xiao,ShaSha Zhang,Zehua Song,Hongyu Ma

Chirality greatly influences the biological and pharmacological properties of a pesticide and will contribute to unnecessary environmental loading and undesired ecological impact. No structure and activity relationship (SAR) of enantiopure succinate dehydrogenase inhibitors (SDHIs) was documented during the structure optimization of boscalids. On the basis of commercial SDHIs, oxazoline natural products, and versatile oxazoline ligands in organic synthesis, the first effort was devoted to explore the chiral SDHIs and the preliminary mechanism thereof. Fine-tuning furnished chiral nicotinamides 4ag as a more promising fungicidal candidate against Rhizoctonia solani, Botrytis cinerea, and Sclerotinia sclerotiorum, with EC50 values of 0.58, 0.42, and 2.10 mg/L, respectively. In vivo bioassay and molecular docking were investigated to explore the potential in practical application and plausible novelty in action mechanism, respectively. The unexpected molecular docking model showed the different chiral effects on the binding site with the amino acid residues. This chiral nicotinamide also featured easy synthesis and cost-efficacy. It will provide a powerful complement to the commercial SDHI fungicides with the introduction of chirality.

Explanation and prediction of the selective crystallization of boscalid by mid-frequency Raman difference spectroscopy analysis

Yingjie Fan,Chengfeng Liang,Yanping Li,Wangchuan Xiao,Yu Niu,Hongjun Jin,Rongrong Xue,Fenghua Chen

The selective crystallization behaviours of amorphous boscalid (BOS), BOS monohydrate and acetone/ethyl acetate/ethanol/methanol solutions were explained and predicted by mid-frequency Raman difference spectroscopy analysis. The phase transition processes including solution to amorphous BOS, solution to BOS monohydrate, and amorphous BOS to Form I were explained, predicted and realized. Also, suitable preparation routes for different BOS phases with good purities were proposed.

Characterization of the interaction between boscalid and tannic acid and its effect on the antioxidant properties of tannic acid

Xiaoyan Fu,Shaofeng Yuan,Fangwei Yang,Hang Yu,Yunfei Xie,Yahui Guo,Weirong Yao

The binding of pesticide residues and fruit components may have a profound impact on pesticide dissipation and the functional characteristics of the corresponding components. Therefore, the interaction between boscalid and tannic acid (TA, a representative phenolic in fruit) was systematically investigated using spectroscopic, thermodynamic, and computational chemistry methods. A separable system was designed to obtain the boscalid–TA complex. Fourier transform infrared and 1 H-NMR spectroscopies indicated the formation of hydrogen bonds in the complex. Isothermal titration calorimetry showed that the complex bound spontaneously through hydrophobic interactions (Δ G < 0, Δ H > 0, Δ S > 0), with a binding constant of 6.0 × 10 5 M −1 at 298 K. The molecular docking results further confirmed the formation of hydrogen bonds and hydrophobic interactions in the complex at the molecular level, with a binding energy of −8.43 kcal mol −1 . In addition, the binding of boscalid to TA significantly decreased the antioxidant activity of TA. The binding of boscalid residue to TA was characterized at the molecular level, which significantly reduced the in vitro antioxidant properties of TA. Practical Application This study provides a reference for the molecular mechanisms of the interaction between pesticide residues and food matrices, as well as a basis for regulating bound-state pesticide residues in food.

Probing the behavior of calf thymus DNA upon binding to a carboxamide fungicide boscalid: insights from spectroscopic and molecular docking approaches

Jie-Hua Shi,Yan-Yue Lou,Kai-Li Zhou,Dong-Qi Pan

Antifungal activity of 2-decanone against Monilinia fructicola and its application in combination with boscalid in mitigating brown rot disease in peach fruit

Xiaorui Wang,Mingming Huang,Wenhui Li,Yingying Shi,Yinuo Tang,Han Zhang,Bin Wu,Zheng Zhang,Zunyang Song,Jingying Shi

Peach fruit is highly susceptible to Monilinia fructicola ( M. fructicola ), a pathogen that causes significant postharvest losses. Enhancing the efficacy and reducing the dosage of chemical fungicides are critical for controlling brown rot caused by M. fructicola . Natural volatile organic compounds (VOCs) have been proposed as a selective method for managing postharvest pathogen infection. Among these, 2-decanone, a natural volatile produced by fungi and insects, has demonstrated potential in inhibiting pathogen growth. In this study, 60 μL/L 2-decanone effectively inhibited the growth of M. fructicola mycelia. It also reduced spore germination and appressorium formation by downregulating the expression of MfBmp1 and MfPls1 , respectively. In addition, 2-decanone induced spore apoptosis by increasing reactive oxygen species (ROS) accumulation and exacerbating mitochondrial damage. When applied to peach fruit, 2-decanone fumigation significantly reduced disease incidence and lesion diameter compared to the control group, without adversely affecting fruit quality during storage. Furthermore, we observed that 2-decanone exhibited synergistic effects when combined with boscalid, effectively inhibiting the growth of M. fructicola . Applying boscalid 15 days before harvest and fumigating with 2-decanone postharvest provided similar brown rot suppression as boscalid alone but used only one-tenth the amount of fungicide. Overall, 2-decanone fumigation presents an effective strategy for controlling postharvest brown rot disease in peaches, and its combined use with boscalid introduces a promising approach for enhancing postharvest peach fruit preservation.

Metabolomics insights into the combined effects of boscalid and polystyrene microplastics on earthworms (Eisenia fetida): The critical role of pesticide dose and microplastics size

Zhiyuan Meng,Junting Shi,Rui Zhou,Yaqi Xiao,Xin Bao,Yaowen Cui,Sinuo Tian,Xiaojun Chen

The extensive use of pesticides and agricultural plastic films has created emerging environmental challenges, with accumulating evidence showing their co-occurrence in soils. This coexistence raises serious concerns about their combined ecological impacts, particularly their potential synergistic effects that remain poorly understood and require urgent investigation. In this study, we evaluated the ecological toxicity effects of boscalid (BOS, 1.0 and 5.0 mg/kg) and polystyrene microplastics (PE MPs, 15 and 150 μm) combined exposure on earthworms ( Eisenia fetida ) from changes in oxidative defense system, intestinal structural function, and metabolic phenotypes. Our findings demonstrated that co-exposure to BOS and PE MPs significantly inhibited earthworm growth and induced oxidative stress. Furthermore, the combined treatment disrupted intestinal barrier integrity. Metabolomics analysis revealed substantial perturbations in earthworm metabolic profiles, suggesting systemic physiological dysregulation. Notably, the toxicological interactions between BOS and PE MPs were dose- and size-dependent, with higher pesticide concentrations and greater MPs exacerbating adverse effects. Collectively, this study highlights that agricultural plastic residues could synergistically enhance the toxicity of co-occurring pesticides, underscoring the need for greater environmental and regulatory scrutiny of such combined pollutants.