dorsal/arxiv
View SchemaVibrational energy relaxation (VER) of a CD stretching mode in cytochrome c
| Authors | Hiroshi Fujisaki, Lintao Bu, John E. Straub |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0403019 |
| URL | https://arxiv.org/abs/q-bio/0403019 |
Abstract
We first review how to determine the rate of vibrational energy relaxation (VER) using perturbation theory. We then apply those theoretical results to the problem of VER of a CD stretching mode in the protein cytochrome c. We model cytochrome c in vacuum as a normal mode system with the lowest-order anharmonic coupling elements. We find that, for the ``lifetime'' width parameter $\gamma=3 \sim 30$ cm$^{-1}$, the VER time is $0.2 \sim 0.3$ ps, which agrees rather well with the previous classical calculation using the quantum correction factor method, and is consistent with spectroscopic experiments by Romesberg's group. We decompose the VER rate into separate contributions from two modes, and find that the most significant contribution, which depends on the ``lifetime'' width parameter, comes from those modes most resonant with the CD vibrational mode.
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"abstract": "We first review how to determine the rate of vibrational energy relaxation\n(VER) using perturbation theory. We then apply those theoretical results to the\nproblem of VER of a CD stretching mode in the protein cytochrome c. We model\ncytochrome c in vacuum as a normal mode system with the lowest-order anharmonic\ncoupling elements. We find that, for the ``lifetime\u0027\u0027 width parameter $\\gamma=3\n\\sim 30$ cm$^{-1}$, the VER time is $0.2 \\sim 0.3$ ps, which agrees rather well\nwith the previous classical calculation using the quantum correction factor\nmethod, and is consistent with spectroscopic experiments by Romesberg\u0027s group.\nWe decompose the VER rate into separate contributions from two modes, and find\nthat the most significant contribution, which depends on the ``lifetime\u0027\u0027 width\nparameter, comes from those modes most resonant with the CD vibrational mode.",
"arxiv_id": "q-bio/0403019",
"authors": [
"Hiroshi Fujisaki",
"Lintao Bu",
"John E. Straub"
],
"categories": [
"q-bio.BM"
],
"title": "Vibrational energy relaxation (VER) of a CD stretching mode in cytochrome c",
"url": "https://arxiv.org/abs/q-bio/0403019"
},
"schema_id": "dorsal/arxiv",
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