Hydrophobic hydration at the level of primitive models

1999 ◽  
Vol 96 (8) ◽  
pp. 1237-1248 ◽  
Author(s):  
MILAN PREDOTA, IVO NEZBEDA
Keyword(s):  
Hydrophobic Hydration

scholarly journals Characterization of microbial antifreeze protein with intermediate activity suggests that a bound-water network is essential for hyperactivity

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
N. M.-Mofiz Uddin Khan ◽  
Tatsuya Arai ◽  
Sakae Tsuda ◽  
Hidemasa Kondo
Keyword(s):  
Crystal Structure ◽  
Basal Plane ◽  
Molecular Mechanisms ◽  
Bound Water ◽  
Hydrophobic Hydration ◽  
Water Network ◽  
Molecular Scaffold ◽  
Intermediate Activity ◽  
Mold Fungus ◽  
Antifreeze Activity

AbstractAntifreeze proteins (AFPs) inhibit ice growth by adsorbing onto specific ice planes. Microbial AFPs show diverse antifreeze activity and ice plane specificity, while sharing a common molecular scaffold. To probe the molecular mechanisms responsible for AFP activity, we here characterized the antifreeze activity and crystal structure of TisAFP7 from the snow mold fungus Typhula ishikariensis. TisAFP7 exhibited intermediate activity, with the ability to bind the basal plane, compared with a hyperactive isoform TisAFP8 and a moderately active isoform TisAFP6. Analysis of the TisAFP7 crystal structure revealed a bound-water network arranged in a zigzag pattern on the surface of the protein’s ice-binding site (IBS). While the three AFP isoforms shared the water network pattern, the network on TisAFP7 IBS was not extensive, which was likely related to its intermediate activity. Analysis of the TisAFP7 crystal structure also revealed the presence of additional water molecules that form a ring-like network surrounding the hydrophobic side chain of a crucial IBS phenylalanine, which might be responsible for the increased adsorption of AFP molecule onto the basal plane. Based on these observations, we propose that the extended water network and hydrophobic hydration at IBS together determine the TisAFP activity.

Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration

2011 ◽  
Vol 135 (5) ◽  
pp. 054510 ◽  
Author(s):  
Henry S. Ashbaugh ◽  
Lixin Liu ◽  
Lalitanand N. Surampudi
Keyword(s):  
Hydrophobic Hydration

Characterization of Waters of Hydrophobic Hydration by Microwave Dielectric Relaxation

1997 ◽  
Vol 119 (5) ◽  
pp. 1161-1162 ◽  
Author(s):  
Dan W. Urry ◽  
Peng ◽  
Jie Xu ◽  
David T. McPherson
Keyword(s):  
Dielectric Relaxation ◽  
Hydrophobic Hydration ◽  
Microwave Dielectric

Hydrophobic hydration of asymmetric and substituted quaternary ammonium bromides in mixtures of water and N,N-dimethylformamide

1980 ◽  
Vol 84 (19) ◽  
pp. 2391-2395 ◽  
Author(s):  
W. J. M. Heuvelsland ◽  
M. Bloemendal ◽  
C. De Visser ◽  
G. Somsen
Keyword(s):  
Quaternary Ammonium ◽  
Hydrophobic Hydration

Hydrophobic hydration of aliphatic amino acids

1994 ◽  
Vol 43 (11) ◽  
pp. 1920-1922 ◽  
Author(s):  
Yu. I. Khurgin ◽  
A. A. Baranov ◽  
M. M. Vorob'ev
Keyword(s):  
Amino Acids ◽  
Hydrophobic Hydration

Motions of water molecules in dilute aqueous solutions of tertiary butyl alcohol; a neutron scattering study of hydrophobic hydration

1970 ◽  
Vol 319 (1537) ◽  
pp. 189-208 ◽  
Keyword(s):  
Aqueous Solutions ◽  
Water Structure ◽  
Hydrophobic Hydration ◽  
Step Length ◽  
Solute Concentration ◽  
Butyl Alcohol ◽  
Tertiary Butyl ◽  
Self Diffusion ◽  
Dilute Aqueous Solutions ◽  
Neutron Scattering Study

Cold neutron inelastic scattering experiments have been performed on dilute aqueous solutions of (CD 3 ) 3 COH and of solutions of (CH 3 ) 3 COH in D 2 O at 21 °C. From the broadening of the quasi-elastic peak and independently determined self-diffusion coefficients ( D ), diffusive lifetimes ( c ) of H 2 O molecules have been calculated as functions of solute concentration. The product Dc is insensitive to concentration, giving a mean diffusion step length of 0.14 nm. The inelastic portion of the spectrum, reflecting lattice-like hydrogen bonding modes indicates that the solute enhances the water ‘structure’ but that such structure bears no resemblance to ice.

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