Perspective: Structure and ultrafast dynamics of biomolecular hydration shells
The structure and function of biomolecules can be strongly influenced by their hydration shells. A key challenge is thus to determine the extent to which these shells differ from bulk water, since the structural fluctuations and molecular excitations of hydrating water molecules within these shells...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC and ACA
2017-07-01
|
| Series: | Structural Dynamics |
| Online Access: | http://dx.doi.org/10.1063/1.4981019 |
| _version_ | 1818147743123636224 |
|---|---|
| author | Damien Laage Thomas Elsaesser James T. Hynes |
| author_facet | Damien Laage Thomas Elsaesser James T. Hynes |
| author_sort | Damien Laage |
| collection | DOAJ |
| description | The structure and function of biomolecules can be strongly influenced by their hydration shells. A key challenge is thus to determine the extent to which these shells differ from bulk water, since the structural fluctuations and molecular excitations of hydrating water molecules within these shells can cover a broad range in both space and time. Recent progress in theory, molecular dynamics simulations, and ultrafast vibrational spectroscopy has led to new and detailed insight into the fluctuations of water structure, elementary water motions, and electric fields at hydrated biointerfaces. Here, we discuss some central aspects of these advances, focusing on elementary molecular mechanisms and processes of hydration on a femto- to picosecond time scale, with some special attention given to several issues subject to debate. |
| first_indexed | 2024-12-11T12:40:06Z |
| format | Article |
| id | doaj.art-10745d70744f45139e3115c2fd2f87bd |
| institution | Directory Open Access Journal |
| issn | 2329-7778 |
| language | English |
| last_indexed | 2024-12-11T12:40:06Z |
| publishDate | 2017-07-01 |
| publisher | AIP Publishing LLC and ACA |
| record_format | Article |
| series | Structural Dynamics |
| spelling | doaj.art-10745d70744f45139e3115c2fd2f87bd2022-12-22T01:07:00ZengAIP Publishing LLC and ACAStructural Dynamics2329-77782017-07-0144044018044018-1410.1063/1.4981019016795SDYPerspective: Structure and ultrafast dynamics of biomolecular hydration shellsDamien Laage0Thomas Elsaesser1James T. Hynes2 Ecole Normale Supérieure, PSL Research University, UPMC Univ Paris 06, CNRS, Départment de Chimie, PASTEUR, 24 rue Lhomond, 75005 Paris, France Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie, 12489 Berlin, Germany Ecole Normale Supérieure, PSL Research University, UPMC Univ Paris 06, CNRS, Départment de Chimie, PASTEUR, 24 rue Lhomond, 75005 Paris, FranceThe structure and function of biomolecules can be strongly influenced by their hydration shells. A key challenge is thus to determine the extent to which these shells differ from bulk water, since the structural fluctuations and molecular excitations of hydrating water molecules within these shells can cover a broad range in both space and time. Recent progress in theory, molecular dynamics simulations, and ultrafast vibrational spectroscopy has led to new and detailed insight into the fluctuations of water structure, elementary water motions, and electric fields at hydrated biointerfaces. Here, we discuss some central aspects of these advances, focusing on elementary molecular mechanisms and processes of hydration on a femto- to picosecond time scale, with some special attention given to several issues subject to debate.http://dx.doi.org/10.1063/1.4981019 |
| spellingShingle | Damien Laage Thomas Elsaesser James T. Hynes Perspective: Structure and ultrafast dynamics of biomolecular hydration shells Structural Dynamics |
| title | Perspective: Structure and ultrafast dynamics of biomolecular hydration shells |
| title_full | Perspective: Structure and ultrafast dynamics of biomolecular hydration shells |
| title_fullStr | Perspective: Structure and ultrafast dynamics of biomolecular hydration shells |
| title_full_unstemmed | Perspective: Structure and ultrafast dynamics of biomolecular hydration shells |
| title_short | Perspective: Structure and ultrafast dynamics of biomolecular hydration shells |
| title_sort | perspective structure and ultrafast dynamics of biomolecular hydration shells |
| url | http://dx.doi.org/10.1063/1.4981019 |
| work_keys_str_mv | AT damienlaage perspectivestructureandultrafastdynamicsofbiomolecularhydrationshells AT thomaselsaesser perspectivestructureandultrafastdynamicsofbiomolecularhydrationshells AT jamesthynes perspectivestructureandultrafastdynamicsofbiomolecularhydrationshells |