scholarly journals Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations

2016 ◽  
Vol 145 (12) ◽  
pp. 124508 ◽  
Author(s):  
Antoine Carof ◽  
Mathieu Salanne ◽  
Thibault Charpentier ◽  
Benjamin Rotenberg
2019 ◽  
Vol 249 ◽  
pp. 106149 ◽  
Author(s):  
Claudia Bonechi ◽  
Gabriella Tamasi ◽  
Alessio Pardini ◽  
Alessandro Donati ◽  
Vanessa Volpi ◽  
...  

2018 ◽  
Vol 20 (48) ◽  
pp. 30340-30350 ◽  
Author(s):  
Tadeja Janc ◽  
Miha Lukšič ◽  
Vojko Vlachy ◽  
Baptiste Rigaud ◽  
Anne-Laure Rollet ◽  
...  

NMR relaxation of water protons as a sensitive probe of ion-specific effects at protein surfaces.


2010 ◽  
Vol 12 (2) ◽  
pp. 516-522 ◽  
Author(s):  
Monica Belotti ◽  
Andrea Martinelli ◽  
Raffaella Gianferri ◽  
Elvino Brosio

2019 ◽  
Vol 5 (6) ◽  
pp. eaax2348 ◽  
Author(s):  
Nicola Salvi ◽  
Anton Abyzov ◽  
Martin Blackledge

Protein and water dynamics have a synergistic relationship, which is particularly important for intrinsically disordered proteins (IDPs), although the details of this coupling remain poorly understood. Here, we combine temperature-dependent molecular dynamics simulations using different water models with extensive nuclear magnetic resonance (NMR) relaxation to examine the importance of distinct modes of solvent and solute motion for the accurate reproduction of site-specific dynamics in IDPs. We find that water dynamics play a key role in motional processes internal to “segments” of IDPs, stretches of primary sequence that share dynamic properties and behave as discrete dynamic units. We identify a relationship between the time scales of intrasegment dynamics and the lifetime of hydrogen bonds in bulk water. Correct description of these motions is essential for accurate reproduction of protein relaxation. Our findings open important perspectives for understanding the role of hydration water on the behavior and function of IDPs in solution.


Author(s):  
Tariq Kamal ◽  
Tan Zhang ◽  
Yukun Song ◽  
Bei-Wei Zhu ◽  
Mingqian Tan

AbstractApple jam is one of the favorite foods consumed worldwide. This study investigated the effect of storage time and sugar concentration on water dynamics inFujiandYinduqing, using low-field nuclear magnetic resonance (LF-NMR) and magnetic resonance imaging (MRI) techniques. The samples were taken for jam preparation with various concentrations of sugar solution (0, 25, 50 and 75-oBrix) and stored at a room temperature of 20 °C for 16 days. The LF-NMR relaxation timeT2distribution displayed bound, intermediate and free water, respectively. The lowestT2range reflected lowest sugar hydrogen mobility depending on total soluble solids (TSS) and water content. A significant correlation (r> 0.9) existed between LF-NMR analysis and physicochemical parameters (water content, color, pH and TSS). MRI displayed uniform water distributions in samples with low sugar concentration. Fluorescence microscopy was used to evaluate sugar crystals and microstructural changes during processing. The study demonstrated the viability of LF-NMR method in determining water dynamics in the apple jams upon processing and storage that may be implemented for quality analysis in other jam products.


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