Water Dynamics in the Hydration Shell of Amphiphilic Macromolecules

2019 ◽  
Vol 123 (13) ◽  
pp. 2971-2977 ◽  
Author(s):  
Jiaqi Zhang ◽  
Liyuan Liu ◽  
Yu Chen ◽  
Bin Wang ◽  
Chunmei Ouyang ◽  
...  
2016 ◽  
Vol 113 (30) ◽  
pp. 8424-8429 ◽  
Author(s):  
Yangzhong Qin ◽  
Lijuan Wang ◽  
Dongping Zhong

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.


Author(s):  
Sergej Friesen ◽  
Marina V. Fedotova ◽  
Sergey E. Kruchinin ◽  
Richard Buchner

Dilute l-glutamate affects water dynamics beyond its 1st hydration shell but above 0.4 M only H2O surrounding carboxylate moieties is involved.


Author(s):  
Valeriy G. Yakubenko ◽  
Anna L. Chultsova

Identification of water masses in areas with complex water dynamics is a complex task, which is usually solved by the method of expert assessments. In this paper, it is proposed to use a formal procedure based on the application of the method of optimal multiparametric analysis (OMP analysis). The data of field measurements obtained in the 68th cruise of the R/V “Academician Mstislav Keldysh” in the summer of 2017 in the Barents Sea on the distribution of temperature, salinity, oxygen, silicates, nitrogen, and phosphorus concentration are used as a data for research. A comparison of the results with data on the distribution of water masses in literature based on expert assessments (Oziel et al., 2017), allows us to conclude about their close structural similarity. Some differences are related to spatial and temporal shifts of measurements. This indicates the feasibility of using the OMP analysis technique in oceanological studies to obtain quantitative data on the spatial distribution of different water masses.


2020 ◽  
Vol 65 (6) ◽  
pp. 1058-1064
Author(s):  
С.В. Пастон ◽  
◽  
А.М. Поляничко ◽  
О.В. Шуленина ◽  
Д.Н. Осинникова ◽  
...  

The aqueous environment and ionic surrounding are the most important factors determining the conformation of DNA and its functioning in the cell. The specificity of the interaction between DNA and cations is especially pronounced with a decrease in water activity. In this work, we studied the B-A transition in high molecular weight DNA with a decrease of humidity in the film with different contents of Na+ ions using FTIR spectroscopy. The IR spectrum of DNA is not only very sensitive to the state of its secondary structure, but also allows us to estimate the amount of water bound to DNA. Upon dehydration of the DNA film, changes characteristic of the B-A transition were observed in the IR absorption spectrum. Using thermogravimetric analysis, it was shown that the degree of DNA hydration reaches the saturation level at a relative humidity of 60% and decreases slightly upon further drying. It has been established that with increasing Na+ concentration, the amount of water strongly bound to DNA decreases. Along with it, sodium ions destroy the hydration shell of DNA and are able to interact directly with phosphate groups.


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