Vibrational dynamics of oxygenated heme proteins

Weiqiao Zeng; Alexander Barabanschikov; Ningyan Wang; Yi Lu; Jiyong Zhao; Wolfgang Sturhahn; E. Ercan Alp; J. Timothy Sage

doi:10.1039/c2cc31239e

Vibrational dynamics of oxygenated heme proteins

Weiqiao Zeng, Alexander Barabanschikov, Ningyan Wang, Yi Lu, Jiyong Zhao, Wolfgang Sturhahn, E. Ercan Alp, J. Timothy Sage

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

Abstract

Advanced spectroscopic techniques coupled with DFT calculations reveal the vibrational dynamics of the iron in stable dioxygen complexes with myoglobin and with a mutant engineered to model the catalytic site of heme-copper oxidases. The unprecedented level of detail will constrain computational modelling of reactions with oxygen.

Original language	English (US)
Pages (from-to)	6340-6342
Number of pages	3
Journal	Chemical Communications
Volume	48
Issue number	51
DOIs	https://doi.org/10.1039/c2cc31239e
State	Published - May 30 2012

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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title = "Vibrational dynamics of oxygenated heme proteins",

abstract = "Advanced spectroscopic techniques coupled with DFT calculations reveal the vibrational dynamics of the iron in stable dioxygen complexes with myoglobin and with a mutant engineered to model the catalytic site of heme-copper oxidases. The unprecedented level of detail will constrain computational modelling of reactions with oxygen.",

author = "Weiqiao Zeng and Alexander Barabanschikov and Ningyan Wang and Yi Lu and Jiyong Zhao and Wolfgang Sturhahn and Alp, {E. Ercan} and Sage, {J. Timothy}",

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T1 - Vibrational dynamics of oxygenated heme proteins

AU - Zeng, Weiqiao

AU - Barabanschikov, Alexander

AU - Wang, Ningyan

AU - Lu, Yi

AU - Zhao, Jiyong

AU - Sturhahn, Wolfgang

AU - Alp, E. Ercan

AU - Sage, J. Timothy

PY - 2012/5/30

Y1 - 2012/5/30

N2 - Advanced spectroscopic techniques coupled with DFT calculations reveal the vibrational dynamics of the iron in stable dioxygen complexes with myoglobin and with a mutant engineered to model the catalytic site of heme-copper oxidases. The unprecedented level of detail will constrain computational modelling of reactions with oxygen.

AB - Advanced spectroscopic techniques coupled with DFT calculations reveal the vibrational dynamics of the iron in stable dioxygen complexes with myoglobin and with a mutant engineered to model the catalytic site of heme-copper oxidases. The unprecedented level of detail will constrain computational modelling of reactions with oxygen.

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DO - 10.1039/c2cc31239e

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JO - Chemical Communications

JF - Chemical Communications

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Vibrational dynamics of oxygenated heme proteins

Abstract

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