Two-Dimensional Spectroscopy of Extended Molecular Systems: Applications to Energy Transport and Relaxation in an alpha-Helix

Arend G. Dijkstra; Thomas L. C. Jansen; Jasper Knoester

doi:10.1021/jp9111124

Two-Dimensional Spectroscopy of Extended Molecular Systems: Applications to Energy Transport and Relaxation in an alpha-Helix

Arend G. Dijkstra
, Thomas L. C. Jansen
, Jasper Knoester^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

11 Citations (Scopus)

368 Downloads (Pure)

Abstract

A simulation study of the coupled dynamics of amide I and amide II vibrations in an a-helix dissolved in water shows that two-dimensional (2D) infrared spectroscopy may be used to disentangle the energy transport along the helix through each of these modes from the energy relaxation between them. Time scales for both types of processes are obtained. Using polarization-dependent 2D spectroscopy is an important ingredient in the method we propose. The method may also be applied to other two-band systems, both in the infrared (collective vibrations) and the visible (excitons) parts of the spectrum.

Original language	English
Pages (from-to)	7315-7320
Number of pages	6
Journal	The Journal of Physical Chemistry A
Volume	114
Issue number	27
DOIs	https://doi.org/10.1021/jp9111124
Publication status	Published - 15-Jul-2010

Keywords

AMIDE-I MODES
INFRARED-SPECTROSCOPY
VIBRATIONAL SPECTROSCOPY
ELECTRONIC SPECTROSCOPY
N-METHYLACETAMIDE
PEPTIDE HELICES
DYNAMICS
WATER
BAND
POLYPEPTIDE

Access to Document

10.1021/jp9111124

2010JPhysChemADijkstra.pdfFinal publisher's version, 780 KB

Handle.net

Persistent link

Cite this

@article{36e29043569a40c28d812b9fd09a47a8,

title = "Two-Dimensional Spectroscopy of Extended Molecular Systems: Applications to Energy Transport and Relaxation in an alpha-Helix",

abstract = "A simulation study of the coupled dynamics of amide I and amide II vibrations in an a-helix dissolved in water shows that two-dimensional (2D) infrared spectroscopy may be used to disentangle the energy transport along the helix through each of these modes from the energy relaxation between them. Time scales for both types of processes are obtained. Using polarization-dependent 2D spectroscopy is an important ingredient in the method we propose. The method may also be applied to other two-band systems, both in the infrared (collective vibrations) and the visible (excitons) parts of the spectrum.",

keywords = "AMIDE-I MODES, INFRARED-SPECTROSCOPY, VIBRATIONAL SPECTROSCOPY, ELECTRONIC SPECTROSCOPY, N-METHYLACETAMIDE, PEPTIDE HELICES, DYNAMICS, WATER, BAND, POLYPEPTIDE",

author = "Dijkstra, \{Arend G.\} and Jansen, \{Thomas L. C.\} and Jasper Knoester",

year = "2010",

month = jul,

day = "15",

doi = "10.1021/jp9111124",

language = "English",

volume = "114",

pages = "7315--7320",

journal = "The Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "AMER CHEMICAL SOC",

number = "27",

}

TY - JOUR

T1 - Two-Dimensional Spectroscopy of Extended Molecular Systems

T2 - Applications to Energy Transport and Relaxation in an alpha-Helix

AU - Dijkstra, Arend G.

AU - Jansen, Thomas L. C.

AU - Knoester, Jasper

PY - 2010/7/15

Y1 - 2010/7/15

N2 - A simulation study of the coupled dynamics of amide I and amide II vibrations in an a-helix dissolved in water shows that two-dimensional (2D) infrared spectroscopy may be used to disentangle the energy transport along the helix through each of these modes from the energy relaxation between them. Time scales for both types of processes are obtained. Using polarization-dependent 2D spectroscopy is an important ingredient in the method we propose. The method may also be applied to other two-band systems, both in the infrared (collective vibrations) and the visible (excitons) parts of the spectrum.

AB - A simulation study of the coupled dynamics of amide I and amide II vibrations in an a-helix dissolved in water shows that two-dimensional (2D) infrared spectroscopy may be used to disentangle the energy transport along the helix through each of these modes from the energy relaxation between them. Time scales for both types of processes are obtained. Using polarization-dependent 2D spectroscopy is an important ingredient in the method we propose. The method may also be applied to other two-band systems, both in the infrared (collective vibrations) and the visible (excitons) parts of the spectrum.

KW - AMIDE-I MODES

KW - INFRARED-SPECTROSCOPY

KW - VIBRATIONAL SPECTROSCOPY

KW - ELECTRONIC SPECTROSCOPY

KW - N-METHYLACETAMIDE

KW - PEPTIDE HELICES

KW - DYNAMICS

KW - WATER

KW - BAND

KW - POLYPEPTIDE

U2 - 10.1021/jp9111124

DO - 10.1021/jp9111124

M3 - Article

SN - 1089-5639

VL - 114

SP - 7315

EP - 7320

JO - The Journal of Physical Chemistry A

JF - The Journal of Physical Chemistry A

IS - 27

ER -

Two-Dimensional Spectroscopy of Extended Molecular Systems: Applications to Energy Transport and Relaxation in an alpha-Helix

Abstract

Keywords

Access to Document

Handle.net

Fingerprint

Cite this