Theoretical studies on electronic structure and magnetic properties of mixed-valence uteroferrin active site

2010 ◽  
Vol 111 (3) ◽  
pp. 702-710 ◽  
Author(s):  
Kenichi Koizumi ◽  
Mitsuo Shoji ◽  
Kizashi Yamaguchi ◽  
Haruki Nakamura ◽  
Yu Takano
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Active Site ◽  
Mixed Valence ◽  
Theoretical Studies

scholarly journals Discovery of the magnetic behavior of hemoglobin: A beginning of bioinorganic chemistry

2015 ◽  
Vol 112 (43) ◽  
pp. 13123-13127 ◽  
Author(s):  
Kara L. Bren ◽  
Richard Eisenberg ◽  
Harry B. Gray
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Active Site ◽  
Oxygen Carrier ◽  
Bioinorganic Chemistry ◽  
Magnetic Behavior ◽  
Hemoglobin A ◽  
Mammalian Blood ◽  
Related Compounds

Two articles published by Pauling and Coryell in PNAS nearly 80 years ago described in detail the magnetic properties of oxy- and deoxyhemoglobin, as well as those of closely related compounds containing hemes. Their measurements revealed a large difference in magnetism between oxygenated and deoxygenated forms of the protein and, along with consideration of the observed diamagnetism of the carbonmonoxy derivative, led to an electronic structural formulation of oxyhemoglobin. The key role of hemoglobin as the main oxygen carrier in mammalian blood had been established earlier, and its allosteric behavior had been described in the 1920s. The Pauling–Coryell articles on hemoglobin represent truly seminal contributions to the field of bioinorganic chemistry because they are the first to make connections between active site electronic structure and the function of a metalloprotein.

Biaxial strain, electric field and interlayer distance-tailored electronic structure and magnetic properties of two-dimensional g-C3N4/Li-adsorbed Cr2Ge2Te6 van der Waals heterostructures

2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Electric Field ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Van Der Waals Heterostructures

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.

scholarly journals The Electronic Structure of FeV-cofactor in Vanadium-Dependent Nitrogenase

2021 ◽  
Author(s):  
Zhi-yong Yang ◽  
Emilio Jimenez-Vicente ◽  
Hayden Kallas ◽  
Dmitriy A Lukoyanov ◽  
Hao Yang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Active Site ◽  
Resting State ◽  
Metal Cofactor ◽  
Open Question

The electronic structure of the active-site metal cofactor (FeV-cofactor) of resting-state V-dependent nitrogenase has been an open question, with earlier studies indicating that it exhibits a broad S = 3/2...

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