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
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.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å
Umena, Y., Kawakami, K., Shen, J.-R., & Kamiya, N. (2011) · Nature · doi:10.1038/nature09913 · Cited by 3,913
Water as an active constituent in cell biology
Ball, P. (2008) · Chemical Reviews · doi:10.1021/cr068037a · Cited by 2,177
Adsorption inhibition as a mechanism of freezing resistance in polar fishes.
Raymond, J. A., & DeVries, A. L. (1977) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.74.6.2589 · Cited by 858
Water Dynamics in the Hydration Layer around Proteins and Micelles
Bagchi, B. (2005) · Chemical Reviews · doi:10.1021/cr020661+ · Cited by 840
Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water
Bakker, H. J., & Skinner, J. L. (2010) · Chemical Reviews · doi:10.1021/cr9001879 · Cited by 764
An extended dynamical hydration shell around proteins
Ebbinghaus, S., Kim, S. J., Heyden, M., Yu, X., Heugen, U., Gruebele, M., Leitner, D. M., & Havenith, M. (2007) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0709207104 · Cited by 706
Self-citationKindt, J. T., & Schmuttenmaer, C. A. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp960141g · Cited by 687
Bertie, J. E., & Lan, Z. (1996) · Applied Spectroscopy · doi:10.1366/0003702963905385 · Cited by 680
Slaving: Solvent fluctuations dominate protein dynamics and functions
Fenimore, P. W., Frauenfelder, H., McMahon, B. H., & Parak, F. G. (2002) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.212637899 · Cited by 677
Experimental determination of the nature of diffusive motions of water molecules at low temperatures
Teixeira, J., Bellissent-Funel, M.-C., Chen, S. H., & Dianoux, A. J. (1985) · Physical Review A · doi:10.1103/physreva.31.1913 · Cited by 639
Research works printed but not linked: 14
- Head-Gordon T., 1995, Proc. Natl. Acad. Sci. U.S.A., 92, 8308, 10.1073/pnas.92.18.8308 · doi:10.1073/pnas.92.18.8308
- Murarka R. K., 2008, J. Phys. Chem. B, 112, 179, 10.1021/jp073440m · doi:10.1021/jp073440m
- Tarek M., 2002, Phys. Rev. Lett., 89, 275501, 10.1103/PhysRevLett.89.275501 · doi:10.1103/physrevlett.89.275501
- 10.1002/9780470027318.a9162 · doi:10.1002/9780470027318.a9162
- Ropp J., 2001, J. Am. Chem. Soc., 123, 8047, 10.1021/ja010312h · doi:10.1021/ja010312h
- Di Cola D., 1996, J. Chem. Phys., 104, 4223, 10.1063/1.471233 · doi:10.1063/1.471233
- Ruocco G., 1999, J. Phys.: Condens. Matter, 11, R259
- Teixeira J., 1985, Phys. Rev. Lett., 54, 2681, 10.1103/PhysRevLett.54.2681 · doi:10.1103/physrevlett.54.2681
- Rahman A., 1974, Phys. Rev. A, 10, 368, 10.1103/PhysRevA.10.368 · doi:10.1103/physreva.10.368
- Sampoli M., 1997, Phys. Lett., 79, 1678, 10.1103/PhysRevLett.79.1678 · doi:10.1103/physrevlett.79.1678
- Winkler K., 2002, Phys. Chem. Chem. Phys., 4, 2144, 10.1039/b200299j · doi:10.1039/b200299j
- Haymett A., 1998, FEBS Lett., 430, 301, 10.1016/S0014-5793(98)00652-8 · doi:10.1016/s0014-5793(98)00652-8
- Meister K., 2013, Proc. Natl. Acad. Sci. U.S.A., 110, 1617, 10.1073/pnas.1214911110 · DOI · Paper page
- Niehues G., 2012, J. Phys. Chem. B, 116, 10020, 10.1021/jp3021358 · doi:10.1021/jp3021358
Cited by
Water Dynamics in the Hydration Shells of Biomolecules
Laage, D., Elsaesser, T., & Hynes, J. T. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00765 · Cited by 913
Molecular Recognition in Chemical and Biological Systems
Persch, E., Dumele, O., & Diederich, F. (2015) · Angewandte Chemie International Edition · doi:10.1002/anie.201408487 · Cited by 654
Water is an active matrix of life for cell and molecular biology
Ball, P. (2017) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1703781114 · Cited by 484
Smolyanskaya, O. A., Chernomyrdin, N. V., Konovko, A. A., Zaytsev, K. I., Ozheredov, I. A., Cherkasova, O. P., Nazarov, M. M., Guillet, J.-P., Kozlov, S. A., Kistenev, Y. V., et al. (2018) · Progress in Quantum Electronics · doi:10.1016/j.pquantelec.2018.10.001 · Cited by 292
Water structure and chaotropicity: their uses, abuses and biological implications
Ball, P., & Hallsworth, J. E. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c4cp04564e · Cited by 261
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
- 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
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: New Insights into the Role of Water in Biological Function: Studying Solvated Biomolecules Using Terahertz Absorption Spectroscopy in Conjunction with Molecular Dynamics Simulations. https://app.cochat.ai/papers/10.1021/ja504441h
- The paper
- Conti Nibali, V., & Havenith, M. (2014). New Insights into the Role of Water in Biological Function: Studying Solvated Biomolecules Using Terahertz Absorption Spectroscopy in Conjunction with Molecular Dynamics Simulations. Journal of the American Chemical Society. https://doi.org/10.1021/ja504441h
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
