Binding of 18-carbon unsaturated fatty acids to bovine β-lactoglobulin—Structural and thermodynamic studies

Loch, J.I.; Bonarek, Piotr; Polit, Agnieszka; Riès, Delphine; Dziedzicka-Wasylewska, Marta; Lewiński, K.

doi:10.1016/j.ijbiomac.2013.03.021

Cited by 59 publications

(48 citation statements)

References 50 publications

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“…Under the same processing condition, the significant difference of particle size among three nanoemulsions was likely caused by different carbon chain length of the carrier oils. The previous study has reported that 16‐ and 18‐carbon fatty acids can be tightly combined within the hydrophobic site (Loch et al., 2013). Palm oil and corn oil are rich in 16‐ and 18‐carbon fatty acids which account for 80%, while fish oil is rich in 22‐carbon fatty acids and 20‐carbon fatty acids for approximately 40%.…”

Section: Resultsmentioning

confidence: 99%

“…The pH of the initial nanoemulsion was well above the isoelectric point of WPI (pH = 5.0; Xu, Wang et al., 2013; Xu, Yuan, et al., 2013), and as a result, the nanoemulsion formed by WPI under neutral conditions had a high negative charge (Chang & McClements, 2016). Palm oil emulsion had a higher zeta potential compared with the emulsions fabricated with the other carrier oils, which was likely due to enhanced electrostatic repulsion and Van der Waals’ force between palm oil droplets (Loch et al., 2013). The ionic impurities such as free fatty acids, phospholipids, and/or mineral ions in oil phase can also move toward the particle interface due to electrostatic force and then alter the zeta potential (Qian et al., 2012b).…”

Section: Resultsmentioning

confidence: 99%

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Stability and in vitro digestibility of beta‐carotene in nanoemulsions fabricated with different carrier oils

Zhou

Wang

et al. 2018

Food Science & Nutrition

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Beta‐carotene, the main dietary source of provitamin A, is required for maintaining optimum human health. The bioaccessibility of beta‐carotene can be greatly improved when ingested with fat. Therefore, the aim of the current study was to select proper oils (palm oil, coconut oil, fish oil, and corn oil) as a carrier to form stable nanoemulsion that can effectively enhance the bioaccessibility of beta‐carotene. The nanoemulsion was formulated with 90% (v/v) aqueous solution (2% whey protein isolate, WPI, w/v) and 10% (v/v) dispersed oil. The in vitro digestion experiment of nanoemulsions showed that the bioaccessibility of beta‐carotene was as followed in order: palm oil = corn oil > fish oil > coconut oil (p < 0.05). The particle size of the nanoemulsion (initial particle size = 168–185 nm) was below 200 nm during 42 days’ storage at 25°C. The retention rates of beta‐carotene in nanoemulsions were 69.36%, 63.81%, 49.58%, and 54.91% with palm oil, coconut oil, fish oil, and corn oil, respectively. However, the particle size of the nanoemulsion increased significantly in the accelerated experiment at 55°C (p < 0.05), in which the retention rates of beta‐carotene were 48.56%, 43.41%, 29.35%, and 33.60% with palm oil, coconut oil, fish oil, and corn oil, respectively. From above, we conclude that WPI‐stabilized beta‐carotene nanoemulsion with palm oil as the carrier is the most suitable system to increase bioaccessibility and stability of lipid‐soluble bioactive compounds such as beta‐carotene.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Stability and in vitro digestibility of beta‐carotene in nanoemulsions fabricated with different carrier oils

Zhou

Wang

et al. 2018

Food Science & Nutrition

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“…In addition to the protein component, the temperature increase also affects the conformation of the LA causing the reduction of the total surface from 597.68 to 566.52 Ǻ 2 and of solvation energy from 5.6 to 5.0 kcal/mol. Previous studies indicate the almost linear geometry of the LA when bound by different types of proteins (Loch et al 2013), with potential alternative conformation for the region defined by the atoms C3-C6. Indeed, the comparative analysis of LA conformation after performing molecular dynamics equilibration steps at 25 and 80°C indicates the fatty acid chain U bending and shortening (Fig.…”

Section: Acrylamide and Ki Quenchingmentioning

confidence: 96%

“…The crystal structure of β-Lg-LA complex (code 4DQ4.pdb) was taken from Brookhaven Protein Data Bank (Loch et al 2013). The potential energy of the refined model was minimized using AMBER (Assisted Model Building and Energy Refinement) force field and Steepest Descent algorithm, both in vacuum and in explicit solvent environment.…”

Section: Molecular Modelingmentioning

confidence: 99%

“…The geometry of the β-Lg-LA complex is not only due to the contacts established between the two components, but also to the interaction with the solvent molecules (Krissinel and Henrick 2007). Formation of β-Lg-LA complex has been shown to be driven by both enthalpy, associated to the interaction between fatty acid, solvent and protein, and entropy, given by conformational changes of the ligand or of the binding site in direct correlation with water displacement while binding the ligand (Loch et al 2013). As a consequence of the heat induced structural changes, the solvation energy value, estimated as the surface hydrophobic residue-solvent interaction (ΔG) increased from −38.8 kcal/ mol at 27°C to −32.4 kcal/mol at 80°C, whereas the solvation energy of protein folding decreases from −137.7 to −143.6 kcal/mol.…”

Section: Acrylamide and Ki Quenchingmentioning

confidence: 99%

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Exploring the heat-induced structural changes of β-lactoglobulin -linoleic acid complex by fluorescence spectroscopy and molecular modeling techniques

et al. 2015

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Linoleic acid (LA) is the precursor of bioactive oxidized linoleic acid metabolites and arachidonic acid, therefore is essential for human growth and plays an important role in good health in general. Because of the low water solubility and sensitivity to oxidation, new ways of LA delivery without compromising the sensory attributes of the enriched products are to be identified. The major whey protein, β-lactoglobulin (β-Lg), is a natural carrier for hydrophobic molecules. The thermal induced changes of the β-Lg-LA complex were investigated in the temperature range from 25 to 85°C using fluorescence spectroscopy techniques in combination with molecular modeling study and the results were compared with those obtained for β-Lg. Experimental results indicated that, regardless of LA binding, the polypeptide chain rearrangements at temperatures higher than 75°C lead to higher exposure of hydrophobic residues causing the increase of fluorescence intensity. Phase diagram indicated an all or none transition between two conformations. The LA surface involved in the interaction with β-Lg was about 497 Ǻ 2 , indicating a good affinity between those two components even at high temperatures. Results obtained in this study provide important details about heat-induced changes in the conformation of β-Lg-LA complex. The thermal treatment at high temperature does not affect the LA binding and carrier functions of β-Lg.

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Thermodynamic and biophysical study of fatty acid effector binding to soybean lipoxygenase: implications for allostery driven by helix α2 dynamics

et al. 2022

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Previous comparative kinetic isotope effects have inferred an allosteric site for fatty acids and their derivatives that modulates substrate selectivity in 15lipoxygenases. Hydrogen-deuterium exchange also previously revealed regionally defined enhanced protein flexibility, centred at helix a2a gate to the substrate entrance. Direct evidence for allosteric binding and a complete understanding of its mechanism remains elusive. In this study, we examine the binding thermodynamics of the fatty acid mimic, oleyl sulfate (OS), with the monomeric model plant 15-LOX, soybean lipoxygenase (SLO), using isothermal titration calorimetry. Dynamic light scattering and differential scanning calorimetry rule out OS-induced oligomerization or structural changes. These data provide evidence that the fatty acid allosteric regulation of SLO is controlled by the dynamics of helix a2.

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Binding of 18-carbon unsaturated fatty acids to bovine β-lactoglobulin—Structural and thermodynamic studies

Cited by 59 publications

References 50 publications

Stability and in vitro digestibility of beta‐carotene in nanoemulsions fabricated with different carrier oils

Stability and in vitro digestibility of beta‐carotene in nanoemulsions fabricated with different carrier oils

Exploring the heat-induced structural changes of β-lactoglobulin -linoleic acid complex by fluorescence spectroscopy and molecular modeling techniques

Thermodynamic and biophysical study of fatty acid effector binding to soybean lipoxygenase: implications for allostery driven by helix α2 dynamics

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