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As a natural product isolated from thyme oil in thyme, thymol (2‐isopropyl‐5‐methylphenol) harbors antiviral, antioxidant, and other properties, and thus could be potentially used for the treatment of various diseases. However, the function of thymol has not been comprehensively studied. Here, we applied an inverse molecular docking approach to identify unappreciated functions of thymol. Potential targets of thymol in humans were identified by the server of DRAR‐CPI, and targets of interest were then assessed by GO and KEGG pathway analysis. Subsequently, homologous proteins of these targets in Caenorhabditis elegans were identified by Blast tool, and their three‐dimensional structures were achieved using Swiss‐Model workspace. Interaction between thymol and the targeted proteins in worms was verified using AutoDock 4.0. Analyses of the targets revealed that thymol could be potentially involved in the glycolysis/gluconeogenesis and fatty acid degradation pathways. To verify the activity of thymol on lipid deposition in vivo, the C. elegans model was established. The lipid content of nematodes induced by high‐dose glucose was determined by Oil Red O and Nile Red staining, and gene expression was assessed by qRT‐PCR. The results showed that thymol might lead to the acceleration of β‐oxidation by upregulating cpt‐1, aco, fabp, and tph‐1, causing the descent of lipid content in nematodes. Our findings indicated that thymol could be potentially used for the treatment of chronic metabolic diseases associated with increased fatty acid deposition. [ABSTRACT FROM AUTHOR]

A comprehensive lipidomic analysis of the lipids extracted from grass carp bones, black carp bones, shrimp shells, and crab shells was performed in this study. First, HPLC analysis revealed that the lipids extracted from shrimp and crab shells contained 60.65% and 77.25% of diacylglycerols, respectively. Second, GC‐MS analysis identified 18 fatty acid species in the lipids extracted from fish bones and crustacean shells, in which polyunsaturated fatty acids (PUFAs) were highly enriched. PUFAs were present at 45.43% in the lipids extracted from shrimp shells. Notably, the lipids extracted from shrimp and crab shells contained a considerable amount of eicosapentaenoic acids and docosahexaenoic acids. Finally, multidimensional mass spectrometry‐based shotgun lipidomics showed that various lipids including acetyl‐L‐carnitine, sphingomyelin (SM), lysophosphatidylcholine, and phosphatidylcholine (PC) were all identified in the lipid samples, but PC and SM were the most abundant. Specifically, the total content of PC in shrimp shells was as high as 6.145 mmol/g. More than 35 species of PC were found in all samples, which were more than other lipids. This study is expected to provide a scientific basis for the application of freshwater fish bones and crustacean shells in food, medicine, and other fields. [ABSTRACT FROM AUTHOR]

The aim of this study was to evaluate the performance of volatile organic compounds (VOCs) for evolution monitoring and early detection of Aspergillus flavus (A. flavus) contamination in walnuts. We successfully applied headspace–gas chromatography–ion mobility spectrometry (HS‐GC‐IMS) to evaluate walnut VOC changes caused by A. flavus contamination. A total of 48 VOCs were identified in walnuts contaminated with A. flavus. After identification of VOCs, a heat map and principal component analysis (PCA) highlighted ethyl acetate‐D, 3‐methyl‐2‐butanol, and cyclohexanone as potential biomarkers specific to A. flavus contamination in walnuts. These results provided valid targets for the development of sensors to evaluate the early mold contamination in stored walnuts. [ABSTRACT FROM AUTHOR]