scholarly journals What is the hydrophobic interaction contribution to the stabilization of micro-hydrated complexes of trimethylamine oxide (TMAO)? A joint DFT-D, QTAIM, and MESP study

2019 ◽  
Vol 25 (12) ◽  
Author(s):  
Imene Derbali ◽  
Emilie-Laure Zins ◽  
Mohammad Esmaïl Alikhani
Keyword(s):  
Hydrophobic Interaction ◽  
Trimethylamine Oxide ◽  
Hydrated Complexes ◽  
Interaction Contribution

Purification of Glycerol Kinase by "Dye-Ligand" Chromatography and Hydrophobic Interaction Chromatography on Bead-Cellulose Derivatives

1993 ◽  
Vol 58 (2) ◽  
pp. 445-451 ◽  
Author(s):  
Vladimír Žúbor ◽  
Albert Breier ◽  
Marta Horváthová ◽  
Dagmar Hagarová ◽  
Peter Gemeiner ◽  
...  
Keyword(s):  
Hydrophobic Interaction ◽  
Specific Activity ◽  
Hydrophobic Interaction Chromatography ◽  
Glycerol Kinase ◽  
Enzymic Activity ◽  
Cellulose Derivatives ◽  
Long Term Storage ◽  
Bead Cellulose ◽  
Term Storage

The crude extract of cytosole enzymes was obtained from homogenized cells of Saccharomyces cerevisiae by partition. The enzyme was then isolated from the lower aqueous phase displaying higher glycerol kinase activity by dye-ligand chromatography on Cibacron Blue (CB) or Remazol Brilliant Blue R (RB)-derivatized bead-cellulose, ATP being the eluent. The specific activity of glycerol kinase rised more than 10 and 7-times after affinity dye-ligand chromatography and hydrophobic interaction chromatography, respectively. Glycerol kinase obtained by the latter method was purified by CB-bead cellulose. The final preparation maintained its enzymic activity without noticeable losses during a long-term storage at 4 °C in dark.

scholarly journals Liquid-Liquid Phase Separation of Tau Driven by Hydrophobic Interaction Facilitates Fibrillization of Tau

2021 ◽  
Vol 433 (2) ◽  
pp. 166731
Author(s):  
Yanxian Lin ◽  
Yann Fichou ◽  
Andrew P. Longhini ◽  
Luana C. Llanes ◽  
Pengyi Yin ◽  
...  
Keyword(s):  
Phase Separation ◽  
Liquid Phase ◽  
Hydrophobic Interaction ◽  
Liquid Phase Separation ◽  
Liquid Liquid Phase Separation

Effects of phenolic compounds from blueberry leaves on the thermal decomposition of trimethylamine oxide in squid extract

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Yingchang Li ◽  
Fengxia Du ◽  
Suzhen Song ◽  
Shuangyan Li ◽  
Xianqing Yang ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Free Radicals ◽  
Chlorogenic Acid ◽  
Theoretical Basis ◽  
Leaf Extract ◽  
Aquatic Products ◽  
Trimethylamine Oxide ◽  
Mechanism Of Inhibition ◽  
Development And Utilization ◽  
Blueberry Leaves

AbstractThe effects of chlorogenic acid and quercetin-3-D-galactoside on the decomposition of trimethylamine oxide (TMAO) in squid extract and the main mechanism of inhibition of thermal decomposition were studied. The results indicated that chlorogenic acid and quercetin-3-D-galactoside could inhibit decomposition of TMAO in squid extract. The amount of TMAO was increased by 11.79 and 15.76% in squid extract treated with chlorogenic acid and quercetin-3-D-galactoside from 0 and 2.5 g/L, respectively. The contents of trimethylamine (TMA), dimethylamine (DMA), and formaldehyde (FA) were significantly decreased with increasing contents of chlorogenic acid and quercetin-3-D-galactoside. There were many free radicals in squid extract at high temperatures; however, the free radical signals were weakened after the addition of chlorogenic acid and quercetin-3-D-galactoside therein. This implied that chlorogenic acid and quercetin-3-D-galactoside could inhibit the thermal decomposition of TMAO in squid extract, which was associated with the scavenging of their free radicals. This result provides a theoretical basis for the development and utilization of blueberry leaf extract as an efficient FA inhibitor for aquatic products.

scholarly journals Mitigating the Adverse Effects of Polychlorinated Biphenyl Derivatives on Estrogenic Activity via Molecular Modification Techniques

2021 ◽  
Vol 18 (9) ◽  
pp. 4999
Author(s):  
Wei He ◽  
Wenhui Zhang ◽  
Zhenhua Chu ◽  
Yu Li
Keyword(s):  
Amino Acid ◽  
Binding Site ◽  
Hydrophobic Interaction ◽  
Oestrogen Receptor ◽  
Polychlorinated Biphenyl ◽  
Hydrophobic Interactions ◽  
Estrogenic Activity ◽  
Average Distance ◽  
Amino Acid Residues ◽  
Hydrophobic Amino Acid

The aim of this paper is to explore the mechanism of the change in oestrogenic activity of PCBs molecules before and after modification by designing new PCBs derivatives in combination with molecular docking techniques through the constructed model of oestrogenic activity of PCBs molecules. We found that the weakened hydrophobic interaction between the hydrophobic amino acid residues and hydrophobic substituents at the binding site of PCB derivatives and human oestrogen receptor alpha (hERα) was the main reason for the weakened binding force and reduced anti-oestrogenic activity. It was consistent with the information that the hydrophobic field displayed by the 3D contour maps in the constructed oestrogen activity CoMSIA model was one of the main influencing force fields. The hydrophobic interaction between PCB derivatives and oestrogen-active receptors was negatively correlated with the average distance between hydrophobic substituents and hydrophobic amino acid residues at the hERα-binding site, and positively correlated with the number of hydrophobic amino acid residues. In other words, the smaller the average distance between the hydrophobic amino acid residues at the binding sites between the two and the more the number of them, and the stronger the oestrogen activity expression degree of PCBS derivative molecules. Therefore, hydrophobic interactions between PCB derivatives and the oestrogen receptor can be reduced by altering the microenvironmental conditions in humans. This reduces the ability of PCB derivatives to bind to the oestrogen receptor and can effectively modulate the risk of residual PCB derivatives to produce oestrogenic activity in humans.

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