PMID- 36598094 OWN - NLM STAT- MEDLINE DCOM- 20230119 LR - 20230119 IS - 1520-5118 (Electronic) IS - 0021-8561 (Linking) VI - 71 IP - 2 DP - 2023 Jan 18 TI - UHPLC-Q-Orbitrap-Based Integrated Lipidomics and Proteomics Reveal Propane-1,2-diol Exposure Accelerating Degradation of Lipids via the Allosteric Effect and Reducing the Nutritional Value of Milk. PG - 1178-1189 LID - 10.1021/acs.jafc.2c07059 [doi] AB - The scandal of detecting the flavoring solvent propane-1,2-diol (PD) in milk has brought a crisis to the trust of consumers in the dairy industry, while its deposition and transformation are still indistinct. Pseudo-targeted lipidomics revealed that PD accelerated the degradation of glycerolipid (33,638.3 +/- 28.9 to 104,54.2 +/- 28.4 mg kg(-1)), phosphoglyceride (467.4 +/- 8.2 to 56.6 +/- 4.2 mg kg(-1)), and sphingolipids (11.4 +/- 0.3 to 0.7 +/- 0.2 mg kg(-1)), which extremely decreased the milk quality. Recoveries and relative standard deviations (RSDs) of the established method were 85.0-109.9 and 0.1-14.9%, respectively, indicating that the approach was credible. Protein-lipid interactions demonstrated that 10 proteins originating from fat globules were upregulated significantly and the activities of 7 enzymes related to lipid degradation were improved. Diacylglycerol cholinephosphotransferase was the only enzyme with decreased activity, and the molecular docking results indicated that PD adjusted its activity through regulating the conformation of the active center and weakening the hydrogen bond force between the enzyme and substrate. This study firstly revealed the mechanism of deposition and transformation of PD in milk, which contributed to the knowledge on the milk quality control and provided key indicators to evaluate the adverse risks of PD in dairy products. FAU - Fan, Zibian AU - Fan Z AD - School of Food and Biological Engineering, Shaanxi University of Science & Technology, Xi'an710021, China. FAU - Jia, Wei AU - Jia W AUID- ORCID: 0000-0001-5573-9361 AD - School of Food and Biological Engineering, Shaanxi University of Science & Technology, Xi'an710021, China. AD - Shaanxi Research Institute of Agricultural Products Processing Technology, Xi'an710021, China. FAU - Du, An AU - Du A AD - School of Food and Biological Engineering, Shaanxi University of Science & Technology, Xi'an710021, China. LA - eng PT - Journal Article DEP - 20230104 PL - United States TA - J Agric Food Chem JT - Journal of agricultural and food chemistry JID - 0374755 RN - T75W9911L6 (Propane) RN - 0 (Phospholipids) SB - IM MH - Animals MH - *Milk/chemistry MH - *Propane/analysis/metabolism MH - Lipidomics/methods MH - Proteomics/methods MH - Chromatography, High Pressure Liquid/methods MH - Molecular Docking Simulation MH - Phospholipids/metabolism MH - Nutritive Value OTO - NOTNLM OT - UHPLC-Q-orbitrap OT - deep single-shot profiling strategy OT - pasteurized milk OT - propane-1,2-diol OT - proteomics OT - pseudo-targeted lipidomics EDAT- 2023/01/05 06:00 MHDA- 2023/01/20 06:00 CRDT- 2023/01/04 07:22 PHST- 2023/01/05 06:00 [pubmed] PHST- 2023/01/20 06:00 [medline] PHST- 2023/01/04 07:22 [entrez] AID - 10.1021/acs.jafc.2c07059 [doi] PST - ppublish SO - J Agric Food Chem. 2023 Jan 18;71(2):1178-1189. doi: 10.1021/acs.jafc.2c07059. Epub 2023 Jan 4.