Faculty of Health and Environmental Sciences (Te Ara Hauora A Pūtaiao)
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Browsing Faculty of Health and Environmental Sciences (Te Ara Hauora A Pūtaiao) by Subject "0306 Physical Chemistry (incl. Structural)"
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- ItemModular Assembly and Optimization of an Artificial Esterase from Functionalised Surfactants(Wiley, 2024-06-21) Matich, Olivia; Naiya, Mohinder Maheshbhai; Salam, Joanne; Tiban Anrango, Bryan Andres; Chen, Jack L‐YA strategy for the screening and optimization of an artificial esterase is presented that utilizes the self‐assembly of amphiphilic molecules. Unlike conventional approaches that rely on the attachment of key functional groups onto molecular scaffolds or surfaces, the modular assembly of amphiphiles allows a large number of catalytic combinations to be investigated with minimal synthetic effort. In this study, iterative combinatorial screens led to an optimized esterase comprising amphiphiles that act as a nucleophilic catalyst, an oxyanion hole and a metal ion chelator. Cooperativity is observed between the functional headgroups of the amphiphiles, an effect that is diminished when co‐assembled with non‐functionalized surfactants. Assessment of the catalytic efficiency (kcat/KM) of our optimized catalysts against recently reported artificial esterases shows comparable efficiency, indicating that efficient catalysis is possible with dynamic self‐assembled systems despite the absence of pre‐defined rigid binding pockets.
- ItemSyntheses and Structures of Transition Metal Complexes of Quinoline-Containing Multidentate Amine Ligands(Elsevier BV, 2024-03-01) Carr, B; Fleming, CL; Blackman, AGThe literature pertaining to tri-, tetra-, penta-, and hexadentate amine ligands containing unsubstituted quinoline moieties is reviewed. The syntheses of these 46 ligands are detailed, and all X-ray structurally characterised transition metal complexes of these ligands are compiled and discussed. Comparisons to the analogous pyridine complexes, where they exist, are made. Most differences are found amongst the five-coordinate complexes, where the quinoline complexes mostly exhibit square pyramidal geometries, while the analogous pyridine complexes are predominantly trigonal bipyramidal. A structural feature we term the quinolyl split, where one or two quinolyl rings bisect an X-M-X angle, in contrast to their pyridine congeners, is identified.