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Full-Text Articles in Physical Sciences and Mathematics
Bicatalytic Allylation–Cross-Metathesis Reactions As Γ-Carbonyl Cation Equivalents, Jake R. Henkie, Sugadar Dhaliwal, James R. Green
Bicatalytic Allylation–Cross-Metathesis Reactions As Γ-Carbonyl Cation Equivalents, Jake R. Henkie, Sugadar Dhaliwal, James R. Green
Chemistry and Biochemistry Publications
The products corresponding to the reactions of arenes and γ-carbonyl cations may be obtained by a one-pot, bicatalytic process involving InCl3-catalyzed arene allylation and cross metathesis with electron-deficient alkenes. The process is successful with electronically neutral and electron-rich arenes, and modestly Lewis basic donor groups are tolerated with an increase in InCl3 loading from 10 mol% to 15 mol%, and in one case, 20 mol%.
A Molecular Dynamics (Md) And Quantum Mechanics/Molecular Mechanics (Qm/Mm) Study On Ornithine Cyclodeaminase (Ocd): A Tale Of Two Iminiums, Bogdan F. Ion, Eric Andre Bushnell, Phil De Luna, James Gauld
A Molecular Dynamics (Md) And Quantum Mechanics/Molecular Mechanics (Qm/Mm) Study On Ornithine Cyclodeaminase (Ocd): A Tale Of Two Iminiums, Bogdan F. Ion, Eric Andre Bushnell, Phil De Luna, James Gauld
Chemistry and Biochemistry Publications
Ornithine cyclodeaminase (OCD) is an NAD+-dependent deaminase that is found in bacterial species such as Pseudomonas putida. Importantly, it catalyzes the direct conversion of the amino acid L-ornithine to L-proline. Using molecular dynamics (MD) and a hybrid quantum mechanics/molecular mechanics (QM/MM) method in the ONIOM formalism, the catalytic mechanism of OCD has been examined. The rate limiting step is calculated to be the initial step in the overall mechanism: hydride transfer from the L-ornithine’s Cα–H group to the NAD+cofactor with concomitant formation of a Cα=NH2+ Schiff base with a barrier …
Alkynedicobalt Complexes In Γ-Carbonyl Cations And Cycloheptynedicobalt Complexes, James R. Green
Alkynedicobalt Complexes In Γ-Carbonyl Cations And Cycloheptynedicobalt Complexes, James R. Green
Chemistry and Biochemistry Publications
This Account describes our work on highly electrophilic γ-carbonyl cations featuring propargyldicobalt cations, cycloheptynedicobalt complexes, and the interconnection between the two systems.
1 Introduction
2 γ-Carbonyl Cations via Iron Allyl Cations
3 γ-Carbonyl Cations via Propargyldicobalt Cations
3.1 Synthesis of Velloziolide
3.2 Synthesis of Microstegiol
4 Synthesis of Cycloheptynedicobalt Complexes
4.1 Synthesis via γ-Carbonyl Cations
4.2 Cycloheptynedicobalt Complexes via [4+3] Cycloaddition Reactions
4.3 Cycloheptynedicobalt Complexes via Ring-Closing Metathesis
4.4 Cycloaddition Reactions on Cycloheptynedicobalt Complexes
4.5 Cycloheptynedicobalt Complexes via Intramolecular Nicholas Reactions
5 Dehydrotropylium Ion Co2(CO)6 Complex
6 Final Comments