Second Coordination Sphere Effects on the Mechanistic Pathways for Dioxygen Activation by a Ferritin: Involvement of a Tyr Radical and the Identification of a Cation Binding Site
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DOI: 10.1002/cbic.202200257
Abstract: Ferritins are ubiquitous diiron enzymes involved in iron(II) detoxification and oxidative stress responses and can act as metabolic iron stores. The overall reaction mechanisms of ferritin enzymes are still unclear, particularly concerning the role of… read more here.
Keywords: ferritin; cation binding; coordination sphere; binding site ... See more keywords
Asymmetric Cation‐Binding Catalysis
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DOI: 10.1002/cctc.201601441
Abstract: The employment of metal salts is quite limited in asymmetric catalysis, although it would provide an additional arsenal of safe and inexpensive reagents to create molecular functions with high optical purity. Cation chelation by polyethers… read more here.
Keywords: asymmetric cation; cation; binding catalysis; catalysis ... See more keywords
Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution
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DOI: 10.1021/acs.jcim.1c00447
Abstract: The rational design of foldable and functionalizable peptidomimetic scaffolds requires the concerted application of both computational and experimental methods. Recently, a new class of designed peptoid macrocycle incorporating spiroligomer proline mimics (Q-prolines) has been found… read more here.
Keywords: cation; metal cation; binding mechanisms; solution ... See more keywords
Organocatalytic Enantioselective Cycloetherifications Using a Cooperative Cation-Binding Catalyst.
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DOI: 10.1021/acs.orglett.8b02240
Abstract: A highly enantioselective cycloetherification strategy for the straightforward synthesis of enantioenriched tetrahydrofurans, tetrahydropyrans, and oxepanes using Song's cation-binding oligoEG catalyst and KF as the base is demonstrated. A wide range of ε-, ζ-, and η-hydroxy-α,β-unsaturated… read more here.
Keywords: cation; organocatalytic enantioselective; enantioselective cycloetherifications; cation binding ... See more keywords
Selectivity mechanism of magnesium and calcium in cation-binding pocket structures of phosphotyrosine.
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DOI: 10.1103/physreve.101.022410
Abstract: Magnesium (Mg^{2+}) and calcium (Ca^{2+}) are of essential importance in biological activity, but the molecular understanding of their selectivity is still lacking. Here, based on density functional theory calculations and ab initio molecular dynamics simulations,… read more here.
Keywords: magnesium calcium; cation; binding pocket; cation binding ... See more keywords