Outputs (4)

Multivalent Crown Ether Receptors Enable Allosteric Regulation of Anion Exchange in an Fe4L6 Tetrahedron (2018)
Journal Article
von Krbek, L. K. S., Roberts, D. A., Pilgrim, B. S., Schalley, C. A., & Nitschke, J. R. (2018). Multivalent Crown Ether Receptors Enable Allosteric Regulation of Anion Exchange in an Fe4L6 Tetrahedron. Angewandte Chemie International Edition, 57(43), 14121-14124. https://doi.org/10.1002/anie.201808534

We report a strategy for regulating the rate of internally bound anion exchange within an Fe4L6 metal–organic tetrahedron through external coordination of tripodal tris(alkylammonium) cations. The cage features three flexible 18‐crown‐6 receptors at... Read More about Multivalent Crown Ether Receptors Enable Allosteric Regulation of Anion Exchange in an Fe4L6 Tetrahedron.

Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe4L6 Tetrahedron (2018)
Journal Article
Roberts, D. A., Pilgrim, B. S., Sirvinskaite, G., Ronson, T. K., & Nitschke, J. R. (2018). Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe4L6 Tetrahedron. Journal of the American Chemical Society, 140(30), 9616-9623. https://doi.org/10.1021/jacs.8b05082

Covalent post-assembly modification (PAM) reactions are useful synthetic tools for functionalizing and stabilizing self-assembled metal–organic complexes. Recently, PAM reactions have also been explored as stimuli for triggering supramolecular struct... Read More about Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe4L6 Tetrahedron.

Anaerobic radical enzymes for biotechnology (2018)
Journal Article
Jäger, C. M., & Croft, A. K. (2018). Anaerobic radical enzymes for biotechnology. ChemBioEng Reviews, 5(3), 143-162. https://doi.org/10.1002/cben.201800003

Enzymes that proceed through radical intermediates have a rich chemistry that includes functionalisation of otherwise unreactive carbon atoms, carbon-skeleton rearrangements, aromatic reductions, and unusual eliminations. Especially under anaerobic c... Read More about Anaerobic radical enzymes for biotechnology.

Improved NOE fitting for flexible molecules based on molecular mechanics data – a case study with S-adenosylmethionine (2018)
Journal Article
Bame, J., Hoeck, C., Carrington, M. J., Butts, C. P., Jäger, C. M., & Croft, A. K. (2018). Improved NOE fitting for flexible molecules based on molecular mechanics data – a case study with S-adenosylmethionine. Physical Chemistry Chemical Physics, 11(20), https://doi.org/10.1039/C7CP07265A

The use of molecular dynamics (MD) calculations to derive relative populations of conformers is highly sensitive to both timescale and parameterisation of the MD. Where these calculations are coupled with NOE data to determine the dynamics of a molec... Read More about Improved NOE fitting for flexible molecules based on molecular mechanics data – a case study with S-adenosylmethionine.