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Pentachlorophenol (PCP) is a persistent organic pollutant usually present in the form of sodium salts (PCP-Na) that has been banned for many years, but it can still be detected in animal food. The present study established a method of detecting PCP-Na and its metabolites—tetrachlorocatechol (TCC), pentachlorophenol acetate (PCP-acetate), and pentachloroanisole (PCA)—in swine samples (pork, fat, liver, heart, lungs and kidney), simultaneously using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and gas chromatography-tandem mass spectrometry (GC-MS/MS) based on the modified QuEChERS pre-treatment method. The validation results exhibited a good sensitivity with limits of quantitation (LOQs) of 1 μg/kg–2 μg/kg. The recoveries of spiked samples were in the range of 60.5–119.9%, with a relative standard deviation (RSD) between replicates (n = 5) of between 0.70% and 12.06%. [ABSTRACT FROM AUTHOR]

The enantiomerization and enantioselective metabolism of benalaxyl in mice after a single gavage administration were investigated in the present study. The pharmacokinetic result indicated that elimination of (−)-R-benalaxyl in plasma was slightly faster with the t 1/2 of 26.65 h and 28.88 h for (−)-R- and (+)-S-benalaxyl, respectively. Consistent with this, elimination in tissues and excretion were also enantioselective, with (+)-S-benalaxyl enriched in all tissues, urine and feces. And formation of the metabolites also exhibited an enantioselective manner. Both benalaxyl and most of its metabolites exhibited a potent excretion to feces and urine. In addition, significant enantiomerization of benalaxyl enantiomers was observed in plasma, with a larger extent from R to S than S to R. Thus, this difference in enantiomerization may be one of the reasons to explain the enantioselective enrichment of (+)-S-benalaxyl in mice observed in this study. Data from this study proves that besides metabolic enzymes, enantiomerization could be another important factor that contributes to the enantioselective metabolism of a chiral pesticide. Thus, research at enantiomeric level is necessary for efficient risk assessment of chiral pesticides. [ABSTRACT FROM AUTHOR]

Current diagnostic methods for wooden breast and white striping, common breast muscle myopathies of modern commercial broiler chickens, rely on subjective examinations of the pectoralis major muscle, time-consuming microscopy, or expensive imaging technologies. Further research on these disorders would benefit from more quantitative and objective measures of disease severity that can be used in live birds. To this end, we utilized untargeted metabolomics alongside two statistical approaches to evaluate plasma metabolites associated with wooden breast and white striping in 250 male commercial broiler chickens. First, mixed linear modeling was employed to identify metabolites with a significant association with these muscle disorders and found 98 metabolites associated with wooden breast and 44 metabolites associated with white striping (q-value < 0.05). Second, a support vector machine was constructed using stepwise feature selection to determine the smallest subset of metabolites with the highest categorization accuracy for wooden breast. The final support vector machine achieved 94% accuracy using only 6 metabolites. The metabolite 3-methylhistidine, which is often used as an index of myofibrillar breakdown in skeletal muscle, was the top metabolite for both wooden breast and white striping in our mixed linear model and was also the metabolite with highest marginal prediction accuracy (82%) for wooden breast in our support vector machine. Overall, this study identified a candidate set of metabolites for an objective measure of wooden breast or white striping severity in live birds and expanded our understanding of these muscle disorders. [ABSTRACT FROM AUTHOR]

Metalaxyl [N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D,L-alaninemethylester] is a systemic fungicide widely used in agriculture. In this study, the enantioselective distribution, degradation and excretion of metalaxyl were investigated after oral gavage administration of rac -metalaxyl to mice. Concentration of metalaxyl and its enantiomers was determined by HPLC–MS/MS. The results showed that R-metalaxyl was much higher than S-metalaxyl in heart, liver, lung, urine and feces. As for the strong first pass effect, concentrations of metalaxyl in liver were much higher than those in other tissues. The total body clearance (CL) of metalaxyl in mice was 1.77 L h −1  kg −1 and degradation half-lives of (t 1/2 ) of S-metalaxyl and R-metalaxyl in liver were 2.2 h and 3.0 h, respectively. Such results indicated the enantioselectivity of metalaxyl lies in distribution, degradation and excretion processes in mice. Main metabolites were also determined and biotransformation reactions were hydroxylation, demethylation and didemethylation. Furthermore, metabolite concentrations in urine and feces were much higher than those in tissues. These results may have potential implications to predict toxicity and provide additional information associated with adverse health effects for risk assessment of metalaxyl. [ABSTRACT FROM AUTHOR]

Praziquantel (PZQ) is a pyrazino-isoquinoline compound with broad spectrum of activity against parasitic trematodes and cestodes, and a key veterinary drug in the parasitic disease control field. However, PZQ residues caused by non-conforming or excessive use in food-producing animals may pose a serious threat to human health. Herein, a simple, sensitive and reproducible LC-MS/MS method was developed for the simultaneous determination of praziquantel and trans- and cis-4-hydroxypraziquantel in black goat tissues to guide the reasonable use of PZQ. The mean recoveries for three target analytes were 71.2 ∼ 117.6%, and the limits of quantification were 1.0 μg/kg. Twenty-five healthy black goats were administered a single dose of praziquantel tablets at a dose of 35 mg/kg of body weight for residue elimination study, The results revealed that praziquantel and 4-hydroxypraziquantel were rapidly depleted in goat tissues and the elimination half-lives did not exceed 1 day in all tissues except for muscle and lung. It provides guidance for the establishment of maximum residue limit of praziquantel in goat. [ABSTRACT FROM AUTHOR]

Highlights: [•] Stereoselective transformation of triadimefon to triadimenol under field condition. [•] Enantioselective degradation of triadimefon in soil but not in wheat straw. [•] Prior formation of triadimenol diastereomer A in straw but diastereomer B in soil. [•] Predominant SR-(−)-triadimenol in straw but RR-(+)-triadimenol in soil. [Copyright &y& Elsevier]

• Fifty pesticides and eight metabolites in eggs were simultaneously detected. • Multi-functional filter based on QuEChERS were used to rapid sample preparation. • The efficiency was obviously improved with shorter cleanup time of < 1 min. • Acetamiprid, pyrimethanil and fipronil sulfone were detected in actual egg samples. A sensitive method for the simultaneous determination of 58 pesticides and relevant metabolites in eggs was developed using ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) after clean-up with a multi-functional filter (MFF) based on quick, easy, cheap, effective, rugged, and safe method (QuEChERS). The egg sample was extracted with 5 ml water and 10 ml 1% acetic acid in acetonitrile and then salt out with sodium chloride. The extracted solution was filtered directly through an MFF containing 50 mg PSA, 50 mg C18, and 150 mg magnesium sulphate before UHPLC-MS/MS analysis. The clean-up and filter procedures were integrated using the MFF to substantially improve the work efficiency. Good linearity was shown for each analyte, and all the correlation coefficients exceeded 0.99. The recoveries in the eggs at the five spiked levels were 74.4%–115.2%, and the relative standard deviations (RSDs) were less than 15.3%. The limit of detection (LOD) and the limit of quantitation (LOQ) of 58 pesticides and 8 metabolites in eggs were 0.1–1.0 μg/kg and 0.2–5.0 μg/kg, respectively. The decision limit (CCα) and detection capacity (CCβ) were 3.4–111.1 μg/kg and 6.8–122.1 μg/kg, respectively. This method has also been successfully applied in the determination of actual eggs samples. This developed method is more effective and faster in the monitoring of pesticide residue in eggs compared to the traditional analytical method. [ABSTRACT FROM AUTHOR]

As persistent organic pollutants, polychlorinated biphenyls (PCBs) accumulate in the bodies of animals and humans, resulting in toxic effects on the reproductive, immune, nervous, and endocrine systems. The biological and toxicological characteristics of enantiomers of chiral PCBs may differ, but these enantioselective effects of PCBs have not been fully characterized. In this study, we performed metabolomics analysis, using ultra-high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) to investigate the enantioselective toxic effects of PCB95 in zebrafish (Danio rerio) embryos after exposure to three dose levels of 0.1, 1, and 10 μg/L for 72 h. Multivariate analysis directly reflected the metabolic perturbations caused by PCB95. The effects of (-)-PCB95 and (+)-PCB95 were more prominent than those of the racemate in zebrafish embryos. A total of 26 endogenous metabolites were selected as potential marker metabolites with variable importance at projection values larger than 1 and significant differences (p<0.05). These metabolites included amino acids, organic acids, nucleosides, betaine, and choline. The changes in these biomarkers were dependent on the enantiomer-specific structures of PCB95. Fifteen metabolic pathways were significantly affected, and several nervous and immune system-related metabolites were significantly validated after exposure. These metabolic changes indicated that the toxic effects of PCB95 may be associated with the interaction of PCB95 with the nervous and immune systems, thus resulting in disruption of energy metabolism and liver function. [ABSTRACT FROM AUTHOR]

A fast method for the simultaneous determination of 14 antiviral drugs and relevant metabolites in chicken muscle by ultra-high liquid chromatography tandem mass spectrometry (UPLC–MS/MS) was developed. The analytes included anti-influenza drugs (amantadine, rimantadine, oseltamivir, oseltamivir carboxylate, memantine, arbidol, and moroxydine), anti-herpes drugs (acyclovir, ganciclovir, famciclovir, penciclovir, ribavirin and its main metabolite TCONH 2 ), and an immunomodulator (imiquimod). The samples were pretreated using a modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) method. The determination of the target compounds was conducted in less than 11.0 min, and specificity was ensured by the use of multiple reaction monitoring (MRM) acquisition mode. Good linearities ( R 2 > 0.9928) were obtained in the range of 0.1–100 μg/L, and the recovery rates were 56.2–113.4% with RSDs of 1.7–10.3% for intra-day precision and 2.4–8.8% for inter-day precision. The LODs and LOQs of all analytes were in the ranges of 0.02–1.0 and 0.05–2.5 μg/kg, respectively. An analysis of real samples suggested that this method is simple, sensitive, reliable and practical for the detection of antiviral drugs in animal tissue. [ABSTRACT FROM AUTHOR]

Carbosulfan (CAS) is used as an insecticide on vegetables, but its toxicity might increase due to the formation of higher toxic metabolites including carbofuran (CAN), 3-hydroxycarbofuran (3-OH) and 3-ketocarbofuran (3-KETO). In this study, the transformation of CAS to its metabolites in pakchoi (Brassica campestrisssp.) and cucumber (CucumissativusL.) was investigated in the field in Beijing and Changsha and in a greenhouse in Hangzhou. CAS was metabolised to CAN, 3-OH and 3-KETO in pakchoi but only to CAN and 3-OH in cucumber. In pakchoi, the degradation of CAS (as measured by the DT50value, the time marking the disappearance of 50% of the pesticide) was the fastest in Hangzhou (0.7 d), followed by Changsha (1.4 d) and Beijing (2.3 d), whereas in cucumber, its degradation was the fastest in Changsha (1.6 d) and Hangzhou (1.6 d), followed by Beijing (2.5 d). These results suggested the monitoring of metabolites should be a prior objective for CAS, and different metabolites should be considered when assessing the risk of CAS in different vegetables. [ABSTRACT FROM AUTHOR]

Titanium (Ti) and its alloys as bio-implants have excellent biocompatibilities and osteogenic properties after modification of chemical composition and topography via various methods. The corrosion resistance of these modified materials is of great importance for changing oral system, while few researches have reported this point. Recently, oxidative corrosion induced by cellular metabolites has been well concerned. In this study, we explored the corrosion behaviors of four common materials (commercially pure Ti, cp-Ti; Sandblasting and acid etching-modified Ti, Ti-SLA; nanowires-modified Ti, Ti-NW; and zinc-containing nanowires-modified Ti, Ti-NW-Zn) with excellent biocompatibilities and osteogenic capacities under the macrophages induced-oxidizing microenvironment. The results showed that the materials immersed into a high oxidizing environment were more vulnerable to corrode. Meanwhile, different surfaces also showed various corrosion susceptibilities under oxidizing condition. Samples embed with zinc element exhibited more excellent corrosion resistance compared with other three surfaces exposure to excessive H2O2. Besides, we found that zinc-decorated Ti surfaces inhibited the adhesion and proliferation of macrophages on its surface and induced the M2 states of macrophages to better healing and tissue reconstruction. Most importantly, zinc-decorated Ti surfaces markedly increased the expressions of antioxidant enzyme relative genes in macrophages. It improved the oxidation microenvironment around the materials and further protected their properties. In summary, our results demonstrated that Ti-NW-Zn surfaces not only provided excellent corrosion resistance properties, but also inhibited the adhesion of macrophages. These aspects were necessary for maintaining osseointegration capacity and enhancing the corrosion resistance of Ti in numerous medical applications, particularly in dentistry. [ABSTRACT FROM AUTHOR]