title: Effect of inclusion of hydroxycinnamic and chlorogenic acids from green coffee bean in β-cyclodextrin on their interactions with whey, egg white and soy protein isolates.
abstract: The aim of the study was to characterise the interactions of hydroxycinnamic and chlorogenic acids (CHAs) from green coffee, with isolates of proteins from egg white (EWP), whey (WPC) and soy (SPI), depending on pH and temperature. The binding degree was determined by liquid chromatography coupled to a diode array detector and an ultrahigh resolution hybrid quadruple-time-of-flight mass spectrometer with ESI source (LC-QTOF-MS/MS). As a result of binding, the concentration of CHAs in proteins ranged from 9.44-12.2, 11.8-13.1 and 12.1-14.4g/100g for SPI, WPC and EWP, respectively. Thermodynamic parameters of protein-ligand interactions were determined by isothermal titration calorimetry (ITC) and energetics of interactions at the atomic level by molecular modelling. The amount of CHAs released during proteolytic digestion was in the range 0.33-2.67g/100g. Inclusion of CHAs with β-cyclodextrin strongly limited these interactions to a level of 0.03-0.06g/100g.
authors.affiliation: Institute of Chemical Food Technology, Faculty of Biotechnology and Food Sciences, Lodz University of Technology, 90-924 Lodz, Poland. Electronic address: grazyna.budryn@p.lodz.pl.
authors.forename: Grażyna
authors.initials: G
authors.lastname: Budryn
authors.affiliation: Departments of Physical Chemistry, Faculty of Chemistry, University of Lodz, 90-131 Lodz, Poland.
authors.forename: Bartłomiej
authors.initials: B
authors.lastname: Pałecz
authors.affiliation: Institute of Chemical Food Technology, Faculty of Biotechnology and Food Sciences, Lodz University of Technology, 90-924 Lodz, Poland.
authors.forename: Danuta
authors.initials: D
authors.lastname: Rachwał-Rosiak
authors.affiliation: Institute of Chemical Food Technology, Faculty of Biotechnology and Food Sciences, Lodz University of Technology, 90-924 Lodz, Poland.
authors.forename: Joanna
authors.initials: J
authors.lastname: Oracz
authors.affiliation: Institute of Chemical Food Technology, Faculty of Biotechnology and Food Sciences, Lodz University of Technology, 90-924 Lodz, Poland.
authors.forename: Donata
authors.initials: D
authors.lastname: Zaczyńska
authors.affiliation: Departments of Physical Chemistry, Faculty of Chemistry, University of Lodz, 90-131 Lodz, Poland.
authors.forename: Sylwia
authors.initials: S
authors.lastname: Belica
authors.affiliation: Department of Food Science and Nutrition, Faculty of Veterinary Science, University of Murcia, Campus de Espinardo, Regional Campus of International Excellence "Campus Mare Nostrum", Murcia, Spain.
authors.forename: Inmaculada
authors.initials: I
authors.lastname: Navarro-González
authors.affiliation: Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Science Department, Universidad Católica San Antonio de Murcia (UCAM), Guadalupe, Murcia, Spain.
authors.forename: Josefina María Vegara
authors.initials: JM
authors.lastname: Meseguer
authors.affiliation: Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Science Department, Universidad Católica San Antonio de Murcia (UCAM), Guadalupe, Murcia, Spain. Electronic address: hperez@ucam.edu.
authors.forename: Horacio
authors.initials: H
authors.lastname: Pérez-Sánchez
mesh_terms: D002726:Chlorogenic Acid / Q000737:chemistry*; D003069:Coffee / Q000737:chemistry*; D003373:Coumaric Acids / Q000737:chemistry*; D004527:Egg Proteins / Q000737:chemistry*; D008958:Models, Molecular; D030262:Soybean Proteins / Q000737:chemistry*; D053719:Tandem Mass Spectrometry / Q000379:methods; D000067816:Whey Proteins / Q000737:chemistry*
chemical_list: D003069:Coffee; D003373:Coumaric Acids; D004527:Egg Proteins; D030262:Soybean Proteins; D000067816:Whey Proteins; D002726:Chlorogenic Acid
keywords: Green coffee; Liquid chromatography–tandem mass spectrometry; Molecular modelling; Protein–polyphenol interactions; β-Cyclodextrin