Single extraction and integrated non-target data acquisition with data mining workflow for analysis of hazardous substances in agricultural plant products.

Identifying contaminants in agricultural plant food products (APFPs) is a major problem. In this study, we developed a single-step extraction and integrated non-target data acquisition (INDA) workflow for increasing hazardous substances coverage. D-optimal experimental designs were applied to optimize filter plate extraction (FPE) for one-single extraction of multipolar hazardous substances. The vDIA mode was used to collect all precursor ion fragments within the range to supplement data loss caused by DDA mode. The underlying principle of vDIA is to increase the utilization rate of MS2 spectra that are likely to identify a maximum number and minimum amounts of hazardous substances. Compared with traditional DDA mode alone, a combination of the two modes increased the rate of identification of hazardous substances by 18.5%. The molecular network of hazardous substance provided by GNPS could enable some metabolites and structure-related products to discover potentially hazardous substance.

Cadmium in Chinese Postharvest Peanuts and Dietary Exposure Assessment in Associated Population.

Cadmium (Cd) in 8698 peanut samples collected from China in 2009-2014 was studied to evaluate its contamination level, distribution, and health risk. The average Cd concentration was 0.1684 mg kg-1; the range of 2.5-97.5% was 0.0191-0.4762 mg kg-1, indicating the cadmium-contaminated peanut level was even lower. Some peanut strains for which protein contents had a significant correlation (Pearson correlation coefficient r = 0.86**) with the Cd concentration level should be of concern. Under the same soil Cd background, the difference in Cd contents in different peanut varieties is extremely significant. For example, the Cd concentration of Silihong is about 0.4522 mg kg-1, being 7 times higher than that of Zhonghua 6. According to the exposure assessment using the probabilistic simulation method, the target hazard quotients (THQs) of all groups should be below 1. The THQ range in this study was from 0.0035 to 0.0202, suggesting that there were no potential noncinogenic effects in any group.