Baocheng Qu

Determination and prediction of octanol-air partition coefficients of hydroxylated and methoxylated polybrominated diphenyl ethers.

The octanol-air partition coefficient (K(OA)) of 19 hydroxylated polybrominated diphenyl ethers (OH-PBDEs) and 10 methoxylated polybrominated diphenyl ethers (MeO-PBDEs) were measured as a function of temperature using a gas chromatographic retention time technique. At room temperature (298.15K), log K(OA) ranged from 8.30 for monobrominated OH/MeO-PBDEs to 13.29 for hexabrominated OH/MeO-PBDEs. The internal energies of phase change from octanol to air (Delta(OA)U) for 29 OH/MeO-PBDE congeners ranged from 72 to 126 kJ mol(-1). Using partial least-squares (PLS) analysis, a statistically quantitative structure-property relationship (QSPR) model for logK(OA) of OH/MeO-PBDE congeners was developed based on the 16 fundamental quantum chemical descriptors computed by PM3 Hamiltonian, for which the Q(cum)(2) was about 0.937. The molecular weight (Mw) and energy of the lowest unoccupied molecular orbital (E(LUMO)) were found to be main factors governing the log K(OA).

Determination of 16 mycotoxins in vegetable oils using a QuEChERS method combined with high-performance liquid chromatography-tandem mass spectrometry

ABSTRACT A simple and efficient method for determining multiple mycotoxins was developed using a QuEChERS (quick, easy, cheap, effective, rugged and safe)-based extraction procedure in vegetable oils. High-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was used for the quantification and confirmation of 16 chemically diversified mycotoxins. Different extraction procedures were studied and optimised by spiking 16 analytes into blank matrix, and the extraction with 85% MeCN solution and C18 as cleaning sorbent allowed an efficient recovery of 72.8–105.8% with RSDs less than 7%. The limit of detection (LOD) ranged from 0.04 to 2.9 ng g–1. The developed method was finally applied to screen mycotoxins in 62 vegetable oil samples. Zearalenone (ZEN), aflatoxin B1 (AFB1), aflatoxin B2 (AFB2), aflatoxin G1 (AFG1) and α-zearalenol (α-ZOL) were detected, with maximum concentrations of 0.59 (AFG1)–42.5 (ZEN) ng g–1. The method developed has the advantages of high sensitivity, accuracy and selectivity, and it can be applied to the target screening of mycotoxins in real samples.

Occurrence and levels of nitrofuran metabolites in sea cucumber from Dalian, China

ABSTRACT The occurrence and levels of nitrofuran metabolites (NFMs) in sea cucumber (SC) from Dalian, China, are reported. Four metabolites including 3-amino-5-morpholinomethyl-2-oxazolidinone (AMOZ), 3-amino-2-oxazolidinone (AOZ), semicarbazide (SEM) and 1-aminohydantoin (AHD) in different SC products (fresh, instant and dry salted SCs) were measured. The frequency of occurrence for NFMs in all SC samples was 42.7%. The total NFM concentrations ranged from non-detectable to 64.6 ng g–1, with a mean of 3.59 ng g–1. AOZ and SEM were the dominant congeners, accounting for 40.1% and 59.1% of the total NFMs, respectively. The concentrations and patterns varied among different regions. Higher levels of NFMs were found in the fresh SC products, and the order for the average concentration of ∑4NFM was fresh > dry salted > instant.

PFCA uptake and translocation in dominant wheat species (Triticum aestivum L.)

ABSTRACT The comparative uptake of four perfluorinated carboxylic acids (PFCAs) by wheat (Triticum aestivum L.) grown in nutrient solution was investigated. Wheat is the main food crop in northern China and may become a potential pathway of human exposure to these PFCAs. The uptake of four PFCAs from water at a fixed concentration (1 μg/mL) increased over time, approaching a steady state, and except for the short-chain perfluorobutanoic acid, most of the total mass of each of the PFCAs taken up by wheat was found to be at the root. The root concentration factor (RCF) and shoot/root concentration factor (SRCF) were calculated, and with the increase in carbon chain length, the RCFs increased but SRCFs decreased, which indicated that long-chain PFCAs had stronger root uptake and weaker translocation capacities than short-chain PFCAs. In addition, pH could obviously impact the uptake of four PFCAs in the roots and shoots of wheat, and the highest concentrations were found at pH = 7 when the pH increased from 4 to 10.

Influence of salinity and temperature on uptake of perfluorinated carboxylic acids (PFCAs) by hydroponically grown wheat (Triticum aestivum L.)

Perfluoroalkyl substances (PFASs) have recently attracted increasing concerns due to their ubiquitous existence, adverse effects and persistence in environment. This study employed four perfluorinated carboxylic acids (PFCAs) to examine effects of salinity and temperature on the PFAS uptake in wheat, one of the major crops in the North China Plain. Wheat plants were grown in the spiked-PFCA hydroponic culture system at different salinities and temperatures. As expected, salinity and temperature significantly impacted the root uptake and translocation of wheat to four PFCAs, and the concentrations for each of PFCAs in wheat root and shoot increased with increasing salinity and temperature, respectively. PFCA concentrations at high salinity or high temperature were up to thrice those found at low salinity or low temperature. Except for perfluorobutanoic acid, the amount of PFCAs in root was always higher than that in shoot at the ranges of salinity and temperature tested. Additionally salinity and temperature were also capable of influencing the transfer factors (TFs) of four PFCAs, and significant increase was observed in the TFs in response to the increases in salinity and temperature.