Disentangling Polymer Network and Hydration Water Dynamics in Polyhydroxyethyl Methacrylate Physical and Chemical Hydrogels

2019 ◽  
Vol 123 (31) ◽  
pp. 19183-19194 ◽  
Author(s):  
Daria Noferini ◽  
Antonio Faraone ◽  
Marta Rossi ◽  
Eugene Mamontov ◽  
Emiliano Fratini ◽  
...  
Keyword(s):  
Polymer Network ◽  
Water Dynamics ◽  
Hydration Water ◽  
Polyhydroxyethyl Methacrylate ◽  
Physical And Chemical

scholarly journals Dynamics and mechanism of ultrafast water–protein interactions

2016 ◽  
Vol 113 (30) ◽  
pp. 8424-8429 ◽  
Author(s):  
Yangzhong Qin ◽  
Lijuan Wang ◽  
Dongping Zhong
Keyword(s):  
Protein Interactions ◽  
Hydration Shell ◽  
Water Dynamics ◽  
Side Chain ◽  
Water Molecules ◽  
Ultrafast Dynamics ◽  
Hydration Water ◽  
Water Side ◽  
Dynamics And Function ◽  
And Function

Protein hydration is essential to its structure, dynamics, and function, but water–protein interactions have not been directly observed in real time at physiological temperature to our awareness. By using a tryptophan scan with femtosecond spectroscopy, we simultaneously measured the hydration water dynamics and protein side-chain motions with temperature dependence. We observed the heterogeneous hydration dynamics around the global protein surface with two types of coupled motions, collective water/side-chain reorientation in a few picoseconds and cooperative water/side-chain restructuring in tens of picoseconds. The ultrafast dynamics in hundreds of femtoseconds is from the outer-layer, bulk-type mobile water molecules in the hydration shell. We also found that the hydration water dynamics are always faster than protein side-chain relaxations but with the same energy barriers, indicating hydration shell fluctuations driving protein side-chain motions on the picosecond time scales and thus elucidating their ultimate relationship.

Smart Hydrogels for Pharmaceutical Applications

2017 ◽  
pp. 1133-1164
Author(s):  
Snežana S. Ilić-Stojanović ◽  
Ljubiša B. Nikolić ◽  
Vesna D. Nikolić ◽  
Slobodan D. Petrović
Keyword(s):  
Electric Fields ◽  
Polymer Network ◽  
Three Dimensional ◽  
Chemical Properties ◽  
Stimuli Responsive ◽  
Crosslinking Degree ◽  
Color Transparency ◽  
Hydrogel Network ◽  
Physical And Chemical ◽  
Responsive Hydrogels

The latest development in the field of smart hydrogels application as drugs carriers is shown in this chapter. Hydrogels are three-dimensional polymer network consisting of at least one hydrophilic monomer. They are insoluble in water, but in the excess presence of water or physiological fluids, swell to the equilibrium state. The amount of absorbed water depends on the chemical composition and the crosslinking degree of 3D hydrogel network and reaches over 1000% of the xerogel weight. Stimuli-responsive hydrogels exhibit significant change of their properties (swelling, color, transparency, conductivity, shape) due to small changes in the external environment conditions (pH, ionic strength, temperature, light wavelength, magnetic or electric fields, ultrasound, or a combination thereof). This smart hydrogels, with different physical and chemical properties, chemical structure and technology of obtaining, show great potential for application in the pharmaceutical industry. The application of smart hydrogels is very promising and at the beginning of the development and exploitation.

scholarly journals Computational discovery of chemically patterned surfaces that effect unique hydration water dynamics

2018 ◽  
Vol 115 (32) ◽  
pp. 8093-8098 ◽  
Author(s):  
Jacob I. Monroe ◽  
M. Scott Shell
Keyword(s):  
Surface Coverage ◽  
Chemical Potential ◽  
Water Dynamics ◽  
Hydration Water ◽  
Thermodynamic Quantities ◽  
Chemical Surface ◽  
Functional Dynamics ◽  
Water Diffusivity ◽  
Computational Discovery ◽  
Dynamics Simulations

The interactions of water with solid surfaces govern their apparent hydrophobicity/hydrophilicity, influenced at the molecular scale by surface coverage of chemical groups of varied nonpolar/polar character. Recently, it has become clear that the precise patterning of surface groups, and not simply average surface coverage, has a significant impact on the structure and thermodynamics of hydration layer water, and, in turn, on macroscopic interfacial properties. Here we show that patterning also controls the dynamics of hydration water, a behavior frequently thought to be leveraged by biomolecules to influence functional dynamics, but yet to be generalized. To uncover the role of surface heterogeneities, we couple a genetic algorithm to iterative molecular dynamics simulations to design the patterning of surface functional groups, at fixed coverage, to either minimize or maximize proximal water diffusivity. Optimized surface configurations reveal that clustering of hydrophilic groups increases hydration water mobility, while dispersing them decreases it, but only if hydrophilic moieties interact with water through directional, hydrogen-bonding interactions. Remarkably, we find that, across different surfaces, coverages, and patterns, both the chemical potential for inserting a methane-sized hydrophobe near the interface and, in particular, the hydration water orientational entropy serve as strong predictors for hydration water diffusivity, suggesting that these simple thermodynamic quantities encode the way surfaces control water dynamics. These results suggest a deep and intriguing connection between hydration water thermodynamics and dynamics, demonstrating that subnanometer chemical surface patterning is an important design parameter for engineering solid−water interfaces with applications spanning separations to catalysis.

scholarly journals Hydration water dynamics in bovine serum albumin at low temperatures as studied by deuterium solid-state NMR

2016 ◽  
Vol 1121 ◽  
pp. 80-85 ◽  
Author(s):  
Tatsuya Miyatou ◽  
Takashi Araya ◽  
Ryutaro Ohashi ◽  
Tomonori Ida ◽  
Motohiro Mizuno
Keyword(s):  
Solid State ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Low Temperatures ◽  
Bovine Serum ◽  
Solid State Nmr ◽  
Water Dynamics ◽  
Hydration Water

scholarly journals Translational Hydration Water Dynamics Drives the Protein Glass Transition

2003 ◽  
Vol 85 (3) ◽  
pp. 1871-1875 ◽  
Author(s):  
Alexander L. Tournier ◽  
Jiancong Xu ◽  
Jeremy C. Smith
Keyword(s):  
Glass Transition ◽  
Water Dynamics ◽  
Hydration Water ◽  
Protein Glass Transition

Hydration Water Dynamics in Tricalcium Silicate Pastes by Time-Resolved Incoherent Elastic Neutron Scattering

2013 ◽  
Vol 117 (14) ◽  
pp. 7358-7364 ◽  
Author(s):  
Emiliano Fratini ◽  
Antonio Faraone ◽  
Francesca Ridi ◽  
Sow-Hsin Chen ◽  
Piero Baglioni
Keyword(s):  
Neutron Scattering ◽  
Tricalcium Silicate ◽  
Water Dynamics ◽  
Hydration Water ◽  
Time Resolved ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering

scholarly journals PIGMENTOS CLOROFILICOS E HIDROGRAFIA EN LA REGION NOROCCIDENTAL DE VENEZUELA CON ENFASIS EN EL GOLFO DE VENEZUELA

2016 ◽  
Vol 17 ◽  
Author(s):  
César Rodríguez ◽  
Ramón Várela
Keyword(s):  
Surface Waters ◽  
Water Dynamics ◽  
Western Coast ◽  
Chemical Parameters ◽  
Trade Winds ◽  
Surface Samples ◽  
Normal Behavior ◽  
Physical And Chemical Parameters ◽  
Physical And Chemical ◽  
Chlorophyll Concentrations

Four oceanographic expeditions were carried out from 1982 to 1984. These surveys evaluated chlorophyll - a and pheopigments concentrations in surface waters of the "Golfo de Venezuela" and adjacent regions. Also, physical and chemical parameters were measured in order to locate the upwelling zones and the area where mixing with "Lago de Maracaibo" water is occurring. A total 424 surface samples taken every 20 miles (36 km aprox.) were analysed by Lorenzen,s (1967) method, obtaining values of chlorophyU-a and pheopigments ranging from less than 0.1 mg/m3 up to 5.2 mg/mi . During the first three surveys, a normal behavior of the Trade winds was observed; they blew from east to west, although they showed occasional variability. The winds induced strong upwellings on the western coast of the "Peninsula de Paraguaná" and in the "Golfete de Coro", both areas showing high chlorophyll concentrations. Mixing of "Golfo de Venezuela" with "Lagode Maracaibo" waters, which had low concentration values, was observed in the "Bahía de Calabozo", South of the "Península de la Guajira". Otherwise, the wind changed considerably during October and November of 1984; its speed decreased and its direction changed 180° bringing about an alteration of water dynamics in the upwelling zone as well as in the mixing area. During this period chlorophyll values were low.

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