Ab initio study of the 57Fe quadrupole splitting in the heme models of α- and β-subunits in tetrameric deoxyhemoglobin / Yuryeva E.I., Oshtrakh M.I. // Hyperfine Interactions. - 2005. - V. 165, l. 1-4. - P. 327-331.

ISSN:

03043843

Type:

Article

Abstract:

Ab initio Xα discrete variation method was used for calculation of quadrupole splitting for the rough heme models in α- and β-subunits of tetrameric deoxyhemoglobin accounting small stereochemical variations. The differences of theoretical values of quadrupole splitting for these heme models were obtained. © Springer Science + Business Media B.V. 2006.

Author keywords:

Deoxyhemoglobin; Heme models; Quadrupole splitting; Xα-DVM calculation

Index keywords:

нет данных

DOI:

10.1007/s10751-006-9279-4

Смотреть в Scopus:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-34548555362&doi=10.1007%2fs10751-006-9279-4&partnerID=40&md5=726bcd9e41c0cefda93f4781b1a5a789

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Другие поля

Поле	Значение
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-34548555362&doi=10.1007%2fs10751-006-9279-4&partnerID=40&md5=726bcd9e41c0cefda93f4781b1a5a789
Affiliations	Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg 620219, Russian Federation; Division of Applied Biophysics, Faculty of Physical Techniques and Devices for Quality Control, Ural State Technical University - UPI, Ekaterinburg 620002, Russian Federation
Author Keywords	Deoxyhemoglobin; Heme models; Quadrupole splitting; Xα-DVM calculation
References	Fermi, G., Perutz, M.F., Shaanan, B., Fourme, R., (1984) J. Mol. Biol, 175, p. 159; Oshtrakh, M.I., Semionkin, V.A., (1985) Mol. Biol. (Moscow), 19, p. 1310; Oshtrakh, M.I., Semionkin, V.A., Burykin, B.N., Khleskov, V.I., (1989) Mol. Phys, 66, p. 531; Oshtrakh, M.I., (1998) Z. Naturforsch, 53 a, p. 608; Oshtrakh, M.I., Semionkin, V.A., (2004) Hyperfine Interact, 159, p. 345; Burykin, B.N., Khleskov, V.I., Oshtrakh, M.I., Semionkin, V.A., (1987) Mol. Biol. (Moscow), 21, p. 1677; Khleskov, V.I., Burykin, B.N., Smirnov, A.B., Oshtrakh, M.I., (1988) Biochem. Biophys. Res. Communs, 155, p. 1255; Averil, F.V., Ellis, D.E.J., (1973) Chem. Phys, 59, p. 6412; Zhi, Z., Guenzburger, D., Ellis, D.E., (2004) J. Mol. Struct., Theochem, 678, p. 145; Gunnarsson, O., Lundqvist, B.I., Ros, P., (1976) Phys. Rev. B, 13, p. 4274; Yuryeva, E.I., Pletnev, R.N., Skripov, A.V., (2005) Int. J. Quant. Chem, 104, p. 143; Yuryeva, E.I., Zhukov, V.P., Medvedeva, N.I., Gubanov, V.A., (1994) Phys. Status Solidi, 146, p. 557; Dufek, P., Blaha, P., Schwarz, K., (1995) Phys. Rev. Lett, 75, p. 3545
Correspondence Address	Oshtrakh, M. I.; Division of Applied Biophysics, Faculty of Physical Techniques and Devices for Quality Control, Ural State Technical University - UPI, Ekaterinburg 620002, Russian Federation; email: oshtrakh@mail.utnet.ru
CODEN	HYIND
Language of Original Document	English
Abbreviated Source Title	Hyperfine Interact.
Source	Scopus