Relationship between the electron density of the heme Fe atom and the vibrational frequencies of the fe-bound carbon monoxide in myoglobin

Ryu Nishimura; Tomokazu Shibata; Hulin Tai; Izumi Ishigami; Takashi Ogura; Satoshi Nagao; Takashi Matsuo; Shun Hirota; Kiyohiro Imai; Saburo Neya; Akihiro Suzuki; Yasuhiko Yamamoto

doi:10.1021/ic3028447

Relationship between the electron density of the heme Fe atom and the vibrational frequencies of the fe-bound carbon monoxide in myoglobin

Ryu Nishimura, Tomokazu Shibata, Hulin Tai, Izumi Ishigami, Takashi Ogura, Satoshi Nagao, Takashi Matsuo, Shun Hirota, Kiyohiro Imai, Saburo Neya, Akihiro Suzuki, Yasuhiko Yamamoto

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15 Scopus citations

Abstract

We analyzed the vibrational frequencies of the Fe-bound carbon monoxide (CO) of myoglobin reconstituted with a series of chemically modified heme cofactors possessing a heme Fe atom with a variety of electron densities. The study revealed that the stretching frequency of Fe-bound CO (ν_CO) increases with decreasing electron density of the heme Fe atom (ρ_Fe). This finding demonstrated that the ν_CO value can be used as a sensitive measure of the ρ_Fe value and that the π back-donation of the heme Fe atom to CO is affected by the heme π-system perturbation induced through peripheral side chain modifications.

Original language	English (US)
Pages (from-to)	3349-3355
Number of pages	7
Journal	Inorganic Chemistry
Volume	52
Issue number	6
DOIs	https://doi.org/10.1021/ic3028447
State	Published - Mar 18 2013
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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title = "Relationship between the electron density of the heme Fe atom and the vibrational frequencies of the fe-bound carbon monoxide in myoglobin",

abstract = "We analyzed the vibrational frequencies of the Fe-bound carbon monoxide (CO) of myoglobin reconstituted with a series of chemically modified heme cofactors possessing a heme Fe atom with a variety of electron densities. The study revealed that the stretching frequency of Fe-bound CO (νCO) increases with decreasing electron density of the heme Fe atom (ρFe). This finding demonstrated that the νCO value can be used as a sensitive measure of the ρFe value and that the π back-donation of the heme Fe atom to CO is affected by the heme π-system perturbation induced through peripheral side chain modifications.",

author = "Ryu Nishimura and Tomokazu Shibata and Hulin Tai and Izumi Ishigami and Takashi Ogura and Satoshi Nagao and Takashi Matsuo and Shun Hirota and Kiyohiro Imai and Saburo Neya and Akihiro Suzuki and Yasuhiko Yamamoto",

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language = "English (US)",

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T1 - Relationship between the electron density of the heme Fe atom and the vibrational frequencies of the fe-bound carbon monoxide in myoglobin

AU - Nishimura, Ryu

AU - Shibata, Tomokazu

AU - Tai, Hulin

AU - Ishigami, Izumi

AU - Ogura, Takashi

AU - Nagao, Satoshi

AU - Matsuo, Takashi

AU - Hirota, Shun

AU - Imai, Kiyohiro

AU - Neya, Saburo

AU - Suzuki, Akihiro

AU - Yamamoto, Yasuhiko

PY - 2013/3/18

Y1 - 2013/3/18

N2 - We analyzed the vibrational frequencies of the Fe-bound carbon monoxide (CO) of myoglobin reconstituted with a series of chemically modified heme cofactors possessing a heme Fe atom with a variety of electron densities. The study revealed that the stretching frequency of Fe-bound CO (νCO) increases with decreasing electron density of the heme Fe atom (ρFe). This finding demonstrated that the νCO value can be used as a sensitive measure of the ρFe value and that the π back-donation of the heme Fe atom to CO is affected by the heme π-system perturbation induced through peripheral side chain modifications.

AB - We analyzed the vibrational frequencies of the Fe-bound carbon monoxide (CO) of myoglobin reconstituted with a series of chemically modified heme cofactors possessing a heme Fe atom with a variety of electron densities. The study revealed that the stretching frequency of Fe-bound CO (νCO) increases with decreasing electron density of the heme Fe atom (ρFe). This finding demonstrated that the νCO value can be used as a sensitive measure of the ρFe value and that the π back-donation of the heme Fe atom to CO is affected by the heme π-system perturbation induced through peripheral side chain modifications.

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JO - Inorganic Chemistry

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Relationship between the electron density of the heme Fe atom and the vibrational frequencies of the fe-bound carbon monoxide in myoglobin

Abstract

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