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The objective of this study was to investigate the molecular interaction and complex stability of four major cow's milk (CM) proteins (α-LA, β-LG, αs1 -CA, and β-CA) with cyanidin-3-O-glucoside (C3G) using computational methods. The results of molecular docking analysis revealed that hydrogen bond and hydrophobic interaction were the main binding forces to maintain the stability of the C3G-CM protein complexes. Molecular dynamics simulation results showed that all complexes except for C3G-αs1 -CA were found to reach equilibrium within 50 ns of simulation. αs1 -CA and β-CA switched to a more compact conformation after binding with C3G. Additionally, the radius of gyration, number of hydrogen bond, radial distribution function, and interaction energy showed that β-CA is the best C3G carrier protein among the four CM proteins. This study can provide valuable information for CM proteins to serve as C3G delivery carriers. PRACTICAL APPLICATIONS Anthocyanins (ACNs) are flavonoid-based pigments that play an important functional role in regulating human's health. Cow's milk (CM) proteins are the most representative protein-based carriers that can improve the short-term bioavailability and stability of ACNs. Thus, it is important to study the interactions between ACNs and CM proteins at the molecular level for the development of effective ACNs delivery carriers. Our study showed that caseins (αs1 -CA and β-CA) had more hydrophobic and hydrogen-bonding sites with cyanidin-3-O-glucoside (C3G) than whey proteins using computational methods. Among the four CM proteins, β-CA was the best C3G carrier protein showing the best interaction stability with C3G. Thus, it is helpful for us to screen effective ACNs carriers from multiple protein sources by computational methods.Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) exist in a variety of oligomeric forms, each with defined cellular and subcellular distributions. Although crystal structures of AChE and BChE have been available for many years, structures of the physiologically relevant ChE tetramer were only recently solved by cryo-electron microscopy (cryo-EM) single-particle analysis. Here, we briefly review how these structures contribute to our understanding of cholinesterase oligomerization, highlighting the advantages of using cryo-EM to resolve structures of protein assemblies that cannot be expressed recombinantly. We argue that the next frontier in cholinesterase structural biology is to image membrane-anchored ChE oligomers directly in their native environment-the cell.

Active packaging containing natural flavonoid has recently emerged as a result of its potential to inhibit the oxidation of foods by interacting with it and/or its surrounding environment, with the aim of counteracting oxidation reactions and extending the shelf-life of foods. this website The plant Spondias purpurea L. is widely found in northeastern Brazil and is known to contain bioactive flavonoids. The present study aimed to obtain a flavonoid-rich fraction from the pulp of S. purpurea L. and incorporate it into the cellulose acetate film to obtain biodegradable films with antioxidant properties.

The fractionation in SiO

open-column chromatography of the S. purpurea pulp crude extract furnished an antioxidant active fraction containing the flavonols quercetin 3-O-rutinoside and kaempferol 3-O-rutinoside as the major compounds. This active fraction was incorporated (10, 20 and 30 g kg

) into the substance produced with the casting method for cellulose acetate films. The films produced were characterized concerning mechanical properties, water vapor permeability (WVP) and antioxidant activity.

The incorporation of the active flavonoid fraction from S. purpurea in the cellulose acetate films decreases WVP and elongation at break, at the same time as increasing antioxidant activity, tensile strength and elastic modulus. Thus, the S. purpurea pulps may be an alternative as a source of antioxidants for use in cellulose acetate films. © 2020 Society of Chemical Industry.

The incorporation of the active flavonoid fraction from S. purpurea in the cellulose acetate films decreases WVP and elongation at break, at the same time as increasing antioxidant activity, tensile strength and elastic modulus. Thus, the S. purpurea pulps may be an alternative as a source of antioxidants for use in cellulose acetate films. © 2020 Society of Chemical Industry.Small molecule transporters (SMTs) in the ABC and SLC families are important players in disposition of diverse endo- and xenobiotics. Interactions of environmental chemicals with these transporters were first postulated in the 1990s, and since validated in numerous in vitro and in vivo scenarios. Recent results on the co-crystal structure of ABCB1 with the flame-retardant BDE-100 demonstrate that a diverse range of man-made and natural toxic molecules, hereafter termed transporter-interfering chemicals (TICs), can directly bind to SMTs and interfere with their function. TIC-binding modes mimic those of substrates, inhibitors, modulators, inducers, and possibly stimulants through direct and allosteric mechanisms. Similarly, the effects could directly or indirectly agonize, antagonize or perhaps even prime the SMT system to alter transport function. Importantly, TICs are distinguished from drugs and pharmaceuticals that interact with transporters in that exposure is unintended and inherently variant. Here, we review the molecular mechanisms of environmental chemical interaction with SMTs, the methodological considerations for their evaluation, and the future directions for TIC discovery.Developmental studies examining relations between word reading (WR) and decoding in typical and dyslexic populations routinely cut the reading distribution to form distinct groups. However, dichotomizing continuous variables to study development is problematic for multiple reasons. Instead, we modeled and visualized the parallel growth of WR and nonword reading (NWR) factor scores longitudinally in a Grade 1-4 developmental sample (N = 588). The results indicate that while WR and NWR growth factors are highly related (r = .71), the relation between WR and NWR trajectories change as a function of initial WR. Results are interpreted within computational models of dyslexia in which children with dyslexia overfit orthography → phonology relations at the level of the word, limiting the development of sublexical representations needed to read nonwords.