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Food Chem

Title:		Imaging human serum albumin behavior in process of PVOCs transportation in vivo: Spectroscopy analysis insight
Author(s):		Geng Z; Zhou Q; Guo M; Yao Y; Tian L; Lin H;
Address:		"College of Chemistry and Materials Engineering, Zhejiang Agriculture & Forestry University, Hangzhou, Zhejiang 311300, China. College of Chemistry and Materials Engineering, Zhejiang Agriculture & Forestry University, Hangzhou, Zhejiang 311300, China. Electronic address: guoming@zafu.edu.cn. College of Forestry and Bio-technology, Zhejiang Agriculture & Forestry University, Hangzhou, Zhejiang 311300, China"
Journal Title:		Food Chem
Year:		2022
Volume:		20220713
Issue:
Page Number:		133692 -
DOI:		10.1016/j.foodchem.2022.133692
ISSN/ISBN:		1873-7072 (Electronic) 0308-8146 (Linking)
Abstract:		"Pomelo volatile organic compounds (PVOCs) are used as food additives to provide unique flavors, thus, and the possible effects of VOC binding to albumin should be considered. Headspace solid-phase microextraction with gas chromatography-mass spectrometry was used to fingerprints adsorption of PVOCs on human serum albumin (HSA). Spectral data and molecular modeling were used to establish a binding model between PVOCs and HSA. Twenty-one common components were identified, and dipentene, linalylacetate, and nootkatone were identified as characteristic components. Thermodynamic calculations showed that dipentene and linalylacetate bound to HSA via van der Waals forces and hydrophobic interactions, whereas nootkatone bound to HSA via van der Waals forces alone. Molecular modeling showed that the volatile components were all bound to the hydrophobic pocket of HSA site I. Our results provide a useful basis for quality evaluation of pomelo and explain the mechanism of interaction between PVOCs and HSA"
Keywords:		"Binding Sites Circular Dichroism Humans Limonene Molecular Docking Simulation Protein Binding *Serum Albumin, Human/chemistry Spectrometry, Fluorescence Thermodynamics *Volatile Organic Compounds Fingerprint pattern Hsa Molecular modeling Pomelo volatile;"
Notes:		"MedlineGeng, Zhaoming Zhou, Qingteng Guo, Ming Yao, Yecen Tian, Luwei Lin, Haiping eng England 2022/07/26 Food Chem. 2022 Dec 1; 396:133692. doi: 10.1016/j.foodchem.2022.133692. Epub 2022 Jul 13"