Induced chirality (achiral target in chiral matrix such as proteins) sometimes play a useful role in evaluating supramolecular systems involving biomolecules. Enzymatic fuel cells, which generate electricity via enzymatic redox reactions at electrodes hold a significant potential for sustainable power. Bacterial laccase, a multi-copper oxidase, was used in the cathodic compartment of the enzymatic biofuel cells because of its low redox potential. Three new salen Cu(II) complexes were designed and investigated as mediators. The Schiff base ligands consisted of both a redox-active (anthraquinone) and a photochromic (azobenzene) moiety. The interaction between laccase and a mediator was examined with induced circular dichroism (CD) and the docking tool to observe in which of the laccase domains the mediators bind as well as study the photo-induced tuning of both the cis-trans photoisomerization and orientation by the Weigert effect. Both the electrochemical and photochromic properties are also discussed and compared using density functional theory (DFT), time-dependent (TD)-DFT, and docking simulations.
The cathode of biofuel cell reduces molecular oxygen to water using four electrons, an enzyme of multicopper oxidase family, laccase, is contained, though its electron transfer efficiency from the electrode resulted in rate determining process. To improve this electron, transfer via mediators, we have investigated several mediator metal complexes between the electrode and laccase, in particular hydrophobic pocket on the surface. We have discussed DFT computational results and selected experimental data of new Mn(III/II) Schiff base complexes having redox active (anthraquinone) ligands and photochromic (azobenzene) ligands about azobenzene moiety at the sole molecular level. Moreover, we carried out computational docking simulation of laccase and complexes considering trans-cis photoisomerization (electronic states) and Weigert effect (molecular orientation to fit better) of azobenzene moiety. Additionally, actual experimental data also presented to indicate the expected merits for mediators.
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