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Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

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Structure of Aqueous Trehalose Solution by Neutron Diffraction and Structural Modeling.

Christoffer Olsson, Helén Jansson, Tristan Youngs¹

¹ISIS Pulsed Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Harwell Campus , Oxon, OX11 0QX, Oxfordshire, U.K.

The Journal of Physical Chemistry. B

|December 16, 2016

Summary

This study reveals trehalose (a sugar) forms extensive hydrogen bonds with water, unlike other sugars. This strong interaction network explains trehalose

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Rapid One-step Enzymatic Synthesis and All-aqueous Purification of Trehalose Analogues

Rapid One-step Enzymatic Synthesis and All-aqueous Purification of Trehalose Analogues

Published on: February 17, 2017

Area of Science:

Biophysical Chemistry
Structural Biology
Solution Chemistry

Background:

Trehalose is a disaccharide known for stabilizing biological materials.
Previous studies on aqueous trehalose solutions yielded conflicting structural information.
Understanding trehalose-water interactions is crucial for its protective applications.

Purpose of the Study:

To elucidate the molecular structure of aqueous trehalose solutions.
To accurately quantify trehalose-water and trehalose-trehalose interactions.
To investigate the hydrogen bonding network in trehalose solutions.

Main Methods:

Neutron diffraction on isotopically varied trehalose solutions.
Empirical potential structure refinement (EPSR) modeling.
Deuteration of non-exchangeable hydrogen atoms in trehalose.

Main Results:

Substantial trehalose-water hydrogen bonding (approx. 11 bonds per trehalose molecule) was observed.
No trehalose clustering tendency was detected in solution.
Trehalose actively participates in the water hydrogen-bonded network.

Conclusions:

Trehalose preferentially interacts with water, forming a stable hydrogen-bonded network.
This extensive hydration network is a key factor in trehalose's biomaterial stabilization properties.
The findings challenge previous models suggesting trehalose clustering.