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Cited by 314

The DOI matches its Crossref record; 44 of the 44 references it cites were found in a registry or an index.

New Insights into the Role of Water in Biological Function: Studying Solvated Biomolecules Using Terahertz Absorption Spectroscopy in Conjunction with Molecular Dynamics Simulations

Conti Nibali, Valeria, Havenith, Martina·2014·Journal of the American Chemical Society
DOI 10.1021/ja504441h
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Abstract

In life science, water is the ubiquitous solvent, sometimes even called the "matrix of life". There is increasing experimental and theoretical evidence that solvation water is not a passive spectator in biomolecular processes. New experimental techniques can quantify how water interacts with biomolecules and, in doing so, differs from "bulk" water. Terahertz (THz) absorption spectroscopy has turned out to be a powerful tool to study (bio)molecular hydration. The main concepts that have been developed in the recent years to describe the underlying solute-induced sub-picosecond dynamics of the hydration shell are discussed herein. Moreover, we highlight recent findings that show the significance of hydrogen bond dynamics for the function of antifreeze proteins and for molecular recognition. In all of these examples, a gradient of water motion toward functional sites of proteins is observed, the so-called "hydration funnel". By means of molecular dynamics simulations, we provide new evidence for a specific water-protein coupling as the cause of the observed dynamical heterogeneity. The efficiency of the coupling at THz frequencies is explained in terms of a two-tier (short- and long-range) solute-solvent interaction.

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Research works printed but not linked: 14

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Metadata

Authors
Conti Nibali, V., & Havenith, M.
Venue
Journal of the American Chemical Society
Publisher
American Chemical Society (ACS)
Published
2014-09-02
Volume
136
Issue
37
Pages
12800-12807
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
DOI
10.1021/ja504441h
OpenAlex
W2070929047
Cited by
314
References
44
FWCI
15.74
Type
journal article
Language
en
Open access
closed
Funders
  • Human Frontier Science Program
  • Deutsche Forschungsgemeinschaft (EXC 1069)
  • Volkswagen Foundation

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