Molecular simulation of biosurfactants with relevance to food systems. (March 2017)

• Record Type: Journal Article
• Authors: Euston, Stephen R.
• Is Part Of: Current opinion in colloid & interface science. Volume 28(2017)
• Page Start: 110
• Page End: 119
• Publication Date: 2017-03
• Subjects: Molecular simulation -- Micelle -- Adsorption -- Surfactant -- Bile salt -- Glycolipid -- Biosurfactant; Surface chemistry -- Periodicals; Colloids -- Periodicals; 541.33
• DOI: 10.1016/j.cocis.2017.04.002
• Languages: English
• ISSNs: 1359-0294

Abstract

Abstract: The application of molecular modelling, and in particular all-atom and coarse grained molecular dynamics simulation, to the study of low molecular weight surfactants with relevance to food systems is reviewed. Two key aspects of surfactant behaviour — their ability to form micelles and their tendency to adsorb to fluid–fluid interfaces (air–water and oil–water) are covered. Since the modelling literature on synthetic amphiphilic surfactants is vast, and much of it not directly relevant to foods, the review concentrates on biosurfactants. Two particular topics are covered in detail: the behaviour of bile salts because of the importance of these in understanding food digestion; the behaviour of novel glycolipid and lipopeptide surfactants derived from microorganisms (bacteria and yeast) due to their increasing importance as functional ingredients in consumer products including foods. Graphical abstract: Highlights: Bile salts form complex micelle structures that facilitate the uptake of fatty acids during digestion Bile salts adsorb to oil-water interfaces with a range of both flat and upright conformations Bile salt adsorption to interfaces depends on the conjugated amino acid and number of hydroxyls on the sterol ring Micelle formation in glycolipids is sensitive to the number, nature and stereo-chemistry of the sugar head groups Adsorption of glycolipids is controlled by steric constraints on the sugar head group