scholarly journals Dipolar Nanodomains in Protein Hydration Shells

2015 ◽  
Vol 6 (3) ◽  
pp. 407-412 ◽  
Author(s):  
Daniel R. Martin ◽  
Dmitry V. Matyushov
Keyword(s):  
Protein Hydration ◽  
Hydration Shells

scholarly journals Thermal contraction of aqueous glycerol and ethylene glycol solutions for optimized protein-crystal cryoprotection

2016 ◽  
Vol 72 (6) ◽  
pp. 742-752 ◽  
Author(s):  
Chen Shen ◽  
Ethan F. Julius ◽  
Timothy J. Tyree ◽  
David W. Moreau ◽  
Hakan Atakisi ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Practical Importance ◽  
Bulk Water ◽  
Protein Crystal ◽  
Protein Hydration ◽  
Hydration Water ◽  
Thermal Contraction ◽  
Cryogenic Temperatures ◽  
Hydration Shells ◽  
Protein Molecules

The thermal contraction of aqueous cryoprotectant solutions on cooling to cryogenic temperatures is of practical importance in protein cryocrystallography and in biological cryopreservation. In the former case, differential contraction on cooling of protein molecules and their lattice relative to that of the internal and surrounding solvent may lead to crystal damage and the degradation of crystal diffraction properties. Here, the amorphous phase densities of aqueous solutions of glycerol and ethylene glycol atT= 77 K have been determined. Densities with accuracies of <0.5% to concentrations as low as 30%(w/v) were determined by rapidly cooling drops with volumes as small as 70 pl, assessing their optical clarity and measuring their buoyancy in liquid nitrogen–argon solutions. The use of these densities in contraction matching of internal solvent to the available solvent spaces is complicated by several factors, most notably the exclusion of cryoprotectants from protein hydration shells and the expected deviation of the contraction behavior of hydration water from bulk water. The present methods and results will assist in developing rational approaches to cryoprotection and an understanding of solvent behavior in protein crystals.

Measurement of protein hydration shells using a quartz microbalance

1989 ◽  
Vol 63 (16) ◽  
pp. 1743-1746 ◽  
Author(s):  
L. Reinisch ◽  
R. D. Kaiser ◽  
J. Krim
Keyword(s):  
Protein Hydration ◽  
Quartz Microbalance ◽  
Hydration Shells

NMR study of diffusion in protein hydration shells

2007 ◽  
pp. 211-215 ◽  
Author(s):  
K. Kotitschke ◽  
R. Kimmich ◽  
E. Rommel ◽  
F. Parak
Keyword(s):  
Protein Hydration ◽  
Hydration Shells ◽  
Nmr Study

Dipolar susceptibility of protein hydration shells

2018 ◽  
Vol 713 ◽  
pp. 210-214 ◽  
Author(s):  
Salman Seyedi ◽  
Dmitry V. Matyushov
Keyword(s):  
Protein Hydration ◽  
Hydration Shells

scholarly journals Hyaluronan orders water molecules in its nanoscale extended hydration shells

2021 ◽  
Vol 7 (10) ◽  
pp. eabf2558
Author(s):  
J. Dedic ◽  
H. I. Okur ◽  
S. Roke
Keyword(s):  
Second Harmonic ◽  
Hydration Shell ◽  
Water Molecules ◽  
Temperature Dependent ◽  
Flexible Chain ◽  
Optical Modeling ◽  
Hydration Shells ◽  
Second Harmonic Scattering ◽  
Nuclear Quantum Effects ◽  
Extracellular Environment

Hyaluronan (HA) is an anionic, highly hydrated bio-polyelectrolyte found in the extracellular environment, like the synovial fluid between joints. We explore the extended hydration shell structure of HA in water using femtosecond elastic second-harmonic scattering (fs-ESHS). HA enhances orientational water-water correlations. Angle-resolved fs-ESHS measurements and nonlinear optical modeling show that HA behaves like a flexible chain surrounded by extended shells of orientationally correlated water. We describe several ways to determine the concentration-dependent size and shape of a polyelectrolyte in water, using the amount of water oriented by the polyelectrolyte charges as a contrast agent. The spatial extent of the hydration shell is determined via temperature-dependent measurements and can reach up to 475 nm, corresponding to a length of 1600 water molecules. A strong isotope effect, stemming from nuclear quantum effects, is observed when light water (H2O) is replaced by heavy water (D2O), amounting to a factor of 4.3 in the scattered SH intensity.

scholarly journals Origin and control of ionic hydration patterns in nanopores

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Miraslau L. Barabash ◽  
William A. T. Gibby ◽  
Carlo Guardiani ◽  
Alex Smolyanitsky ◽  
Dmitry G. Luchinsky ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Distribution Functions ◽  
Water Molecules ◽  
Surrounding Water ◽  
Ionic Hydration ◽  
Hydration Shells ◽  
Water Layers ◽  
Dynamics Simulations ◽  
And Control

AbstractIn order to permeate a nanopore, an ion must overcome a dehydration energy barrier caused by the redistribution of surrounding water molecules. The redistribution is inhomogeneous, anisotropic and strongly position-dependent, resulting in complex patterns that are routinely observed in molecular dynamics simulations. Here, we study the physical origin of these patterns and of how they can be predicted and controlled. We introduce an analytic model able to predict the patterns in a graphene nanopore in terms of experimentally accessible radial distribution functions, giving results that agree well with molecular dynamics simulations. The patterns are attributable to a complex interplay of ionic hydration shells with water layers adjacent to the graphene membrane and with the hydration cloud of the nanopore rim atoms, and we discuss ways of controlling them. Our findings pave the way to designing required transport properties into nanoionic devices by optimising the structure of the hydration patterns.

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