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Computational Study Of The Nitric Oxide Autoxidation Mechanism Using Quantum Chemistry Methods, Yazen Abusad
Computational Study Of The Nitric Oxide Autoxidation Mechanism Using Quantum Chemistry Methods, Yazen Abusad
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Nitric oxide (NO) is a critical cell-signaling messenger in the immune, cardiovascular, and nervous systems. It is linked to several diseases, and due to its high reactivity, and toxicity as a free radical, NO possesses a controversial effect on cell viability. The S-nitrosylation of protein thiol groups is a key mechanism in NO redox signal transduction, and lends a mechanistic basis for NO as a cell regulator. Numerous experiments have shown that the rate-limiting step of S-nitrosylation is NO autoxidation, independent of thiol concentration. Due to the transient nature, and structural variety of reactive nitrogen species, very little is known …