Molecular modeling of the interface of an egg yolk protein-based emulsion

Ferrari, Marco; Handgraaf, Jan‐Willem; Boccardo, Gianluca; Buffo, Antonio; Vanni, Marco; Marchisio, Daniele

doi:10.1063/5.0079883

Cited by 14 publications

(10 citation statements)

References 104 publications

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“…Furthermore, more low-density lipoproteins (LDLs) might be released from the yolk after homogenization. Benefiting from the characteristics of lipoproteins, the binding between protein and oil droplets could be enhanced by LDLs during emulsification [ 61 ].…”

Section: Resultsmentioning

confidence: 99%

Effects of Glucose and Homogenization Treatment on the Quality of Liquid Whole Eggs

Chen

et al. 2022

Foods

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To investigate the effect of glucose on the protein structure, physicochemical and processing properties of liquid whole eggs (LWE) under homogenization, different concentrations of glucose (0.01, 0.02, 0.04, 0.08 g/mL) were added into LWE, followed by homogenizing at different pressures (5, 10, 20, 40 MPa), respectively. It was shown that the particle size and turbidity of LWE increased with the increase in glucose concentration while decreasing with the increase in homogenization pressure. The protein unfolding was increased at a low concentration of glucose combined with homogenization, indicating a 40.33 ± 5.57% and 165.72 ± 33.57% increase in the fluorescence intensity and surface hydrophobicity under the condition of 0.02 g/mL glucose at 20 MPa, respectively. Moreover, the remarkable increments in foaming capacity, emulsifying capacity, and gel hardness of 47.57 ± 5.1%, 66.79 ± 9.55%, and 52.11 ± 9.83% were recorded under the condition of 0.02 g/mL glucose at 20 MPa, 0.04 g/mL glucose at 20 MPa, and 0.02 g/mL glucose at 40 MPa, respectively. Reasonably, glucose could improve the processing properties of LWE under homogenization, and 0.02 g/mL–0.04 g/mL and 20–40 MPa were the optimal glucose concentration and homogenization pressure. This study could contribute to the production of high-performance and stable quality of LWE.

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Section: Resultsmentioning

confidence: 99%

Effects of Glucose and Homogenization Treatment on the Quality of Liquid Whole Eggs

Chen

et al. 2022

Foods

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“…Therefore, from the MetaD simulation of case 1, variation of the Gibbs free energy between the protein in the bulk state and the protein in the adsorbed state was obtained (Figure 4). Once the constant of adsorption was obtained, it was included in the expression of the adsorption isotherm (eqs 3 and 7) to find the value of the protein bulk concentration for each value of π and Γ obtained from DPD simulations, 34 as reported in Figure 7. Although the bulk concentration values appeared to be relatively small compared to those of βcasein, 65 to the best of the authors' knowledge there are no experimental data of Apovitellenin-1 to directly compare this result.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

“…The Gibbs free energy of protein adsorption at the oil−water interface was extracted from MetaD simulations, and it was linked to previous DPD simulations, 34 to obtain a complete description of Apovitellenin-1 as a surfactant. This result shows how molecular modeling techniques could be used not only to reproduce qualitative behaviors but also to quantitatively predict properties that are difficult to estimate experimentally.…”

Section: ■ Conclusionmentioning

confidence: 99%

“…Furthermore, to relate the interfacial tension decrease associated with protein adsorption to the protein bulk concentration, a thermodynamic model of protein adsorption was developed and applied to the case investigated. This model was obtained by combining our results with those of previous studies, , in which another molecular approach, namely, dissipative particle dynamics (DPD), was employed. In this way, we showed how molecular techniques could potentially be used to predict equilibrium properties that are otherwise difficult to measure experimentally.…”

Section: Introductionmentioning

confidence: 98%

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Molecular Modeling of the Adsorption of an Egg Yolk Protein on a Water–Oil Interface

Lombardo Pontillo,

Ferrari,

Rospiccio

et al. 2024

Langmuir

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Egg yolk contains several molecular species with emulsifying properties, such as proteins and phospholipids. In particular, these molecules have both polar and nonpolar parts and thus can act as surfactants. One of the most surface-active proteins from egg yolk low-density lipoproteins is the so-called Apovitellenin-1. Experimental studies have been hindered by difficulties in isolating individual species from egg yolk lipoproteins. The purpose of this work was to assess the emulsifying properties of Apovitellenin-1 and any potential cooperative or competitive behavior in the presence of phospholipids. To do so, molecular simulations were carried out in a liquid−liquid interfacial system consisting of water and soybean oil, with varying concentrations of phospholipids and for different spatial configurations. To evaluate the conformational stability of the protein at the water−oil interface, the Gibbs free energy was computed from Metadynamics simulations as a function of the distance from the interface and of the radius of gyration. Moreover, a detailed analysis was also performed to determine which peptide residues were responsible for the protein adsorption at the oil−water interface as well as the lowering of the interfacial tension. Lastly, we combined the simulation results with a thermodynamic model to predict the interfacial tension behavior at increasing protein bulk concentration, which cannot be measured experimentally.

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“…It is a complex blend of assembled structures of proteins and phospholipids with other compounds [ 21 ] ; the role of each component and the extent to which they confer interfacial stability are not well understood. [ 22 ] Most of the studies evaluating the different extensional flow devices were conducted using 50 wt.% oil‐in‐water emulsions containing PS60 and WPC as emulsifiers, with WPC chosen for more of the studies at a broader range of test conditions. The primary objective of this research was to understand the principles governing the design of an extensional flow device, and the choice of these different emulsifier chemistries was meant to determine if the device performance was significantly affected by the emulsifiers, while all the emulsion formulations were chosen to form stable emulsions based on prior experience and common practice.…”

Section: Methodsmentioning

confidence: 99%

Novel extensional device to efficiently form fine oil‐in‐water food emulsions

et al. 2023

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Two immiscible liquids are commonly mixed by mechanically dispersing one into the other to form emulsions. Surfactants or emulsifiers confer stability. Mechanical mixing, in practice, is an energy‐intensive shear flow that is ineffective when the ratio of the dispersed‐phase viscosity to the continuous‐phase viscosity exceeds about four. Extensional flows are not subject to this viscosity ratio limit. This superiority of extensional flow was exploited to fabricate a novel, continuous‐flow, cone‐shaped device with an extensional strain of eight to make fine soybean oil‐in‐water emulsions. A spherical insert having a wall clearance of 25 μm was an effective design factor. Starting with ‘coarse’ 50 wt.% oil emulsions, two stretching episodes were needed for size reduction. The temperature rise was negligible, and the results were independent of the emulsifier type employed. Increasing flow rate and stretching episodes, reducing wall clearance, enhancing emulsifier concentration, and multiple passes through the device gave progressively smaller drops; the volume‐averaged diameter became less than 2 μm, and the number‐averaged diameter reached 0.5 μm, narrowing the size distribution. The emulsions that formed had a high viscosity and were stable. The performance of a scaled‐up device was compared with other mixers. At equivalent energy density and 50 wt.% oil, drop sizes were similar for a valve homogenizer but larger for a rotor‐stator mixer. At 80 wt.% oil, the rotor stator‐mixer again required more energy for the same drop size, but emulsions prepared with the valve homogenizer broke. The findings of this study can help to design industrial‐scale energy‐efficient extensional‐flow dominant devices for the formation of food emulsions.

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Molecular modeling of the interface of an egg yolk protein-based emulsion

Cited by 14 publications

References 104 publications

Effects of Glucose and Homogenization Treatment on the Quality of Liquid Whole Eggs

Effects of Glucose and Homogenization Treatment on the Quality of Liquid Whole Eggs

Molecular Modeling of the Adsorption of an Egg Yolk Protein on a Water–Oil Interface

Novel extensional device to efficiently form fine oil‐in‐water food emulsions

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