Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems

  • Noodleman L
  • Lovell T
  • Han W
 et al. 
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Our goal in this review is to develop some general themes for catalytic reaction pathways in enzymes and synthetic systems via several examples, relating electron transfer, proton transfer, and charge flow to energetics and structural transformations. Most of the examples will be drawn from reactions of metalloenzymes, but we will also examine a single nonmetal contg. enzyme (protein tyrosine phosphatase), a hydrolytic ribozyme (hammerhead ribozyme where the catalytic center is an aquated Mg(II) ion), and Lewis acid- and Bronsted acid- catalyzed synthetic reactions utilizing click chem. In both enzymic and effective synthetic catalysts, the match between substrate and catalyst leads to both control and reactivity. [on SciFinder(R)]

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