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- W2091852556 abstract "Porphyrin is a key cofactor of hemoproteins. The complexes it forms with divalent metal cations such as Fe, Mg, and Mn compose an important category of compounds in biological systems, serving as a reaction center for a number of essential life processes. Employing density functional theory (DFT) and conceptual DFT approaches, the structural properties and reactivity of (pyridine)n−M−porphyrin complexes were systematically studied for the following selection of divalent metal cations: Mg, Ca, Cr, Mn, Co, Ni, Cu, Zn, Ru, and Cd with n varying from 0, 1, to 2. Metal selectivity and porphyrin specificity were investigated from the perspective of both structural and reactivity properties. Quantitative structural and reactivity relationships have been discovered between bonding interactions, charge distributions, and DFT chemical reactivity descriptors. These results are beneficial to our understanding of the chemical reactivity and metal cation specificity for heme-containing enzymes and other metalloproteins alike." @default.
- W2091852556 created "2016-06-24" @default.
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- W2091852556 date "2009-09-14" @default.
- W2091852556 modified "2023-10-16" @default.
- W2091852556 title "Toward Understanding Metal-Binding Specificity of Porphyrin: A Conceptual Density Functional Theory Study" @default.
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- W2091852556 cites W1970861112 @default.
- W2091852556 cites W1971275758 @default.
- W2091852556 cites W1975136817 @default.
- W2091852556 cites W1975262546 @default.
- W2091852556 cites W1980645183 @default.
- W2091852556 cites W1984447682 @default.
- W2091852556 cites W1985010001 @default.
- W2091852556 cites W1985094967 @default.
- W2091852556 cites W1986143909 @default.
- W2091852556 cites W1987898672 @default.
- W2091852556 cites W1990001601 @default.
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- W2091852556 cites W1995051100 @default.
- W2091852556 cites W1995293231 @default.
- W2091852556 cites W1998093640 @default.
- W2091852556 cites W2000559841 @default.
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- W2091852556 cites W2007176314 @default.
- W2091852556 cites W2009458392 @default.
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- W2091852556 cites W2014825581 @default.
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- W2091852556 cites W2020278186 @default.
- W2091852556 cites W2023271753 @default.
- W2091852556 cites W2026911129 @default.
- W2091852556 cites W2035059190 @default.
- W2091852556 cites W2038767330 @default.
- W2091852556 cites W2042206208 @default.
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- W2091852556 doi "https://doi.org/10.1021/jp905885y" @default.
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