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Novel Mechanisms of Green Tea Anti-Oxidants by Mu-SR, INS and DFT Experiments
A proposal is made to continue ongoing ALC-muSR experiments on the green-tea anti-oxidant EGCG and its analogue. Several overlapping resonances observed on HiFi made it... -
Wittig Reaction: Cleaning up 50 years of Waste in Metal-Free Catalysis
Our recent works have solved a 50 yr old problem (in part) with computational steering successfully guiding synthetic work towards a wittig process catalytic in phosphine. The... -
End-Game: Cornering Solvent Effects on H-Addition in Green Tea Anti-Oxidants
Our ongoing project to characterise radical scavenging by the green tea anti-oxidant EGCG and its D-ring analogue, (3,4,5-(OH)3-Bz) is near-complete. ALC-MuSR experiments on the... -
Characterisation of Green-Tea Radical Scavengers by ALC-MuSR and High-Level C...
We propose to characterise selected radical structures of the green-tea anti-oxidant flavenoid EGCG (& selected analogues), by DFT/post-HF computation and ALC-MuSR, towards... -
Capture and isolation of radicals by green tea antioxidants
Molecular modelling suggests that the antioxidant molecule EGCG "folds up" around the radical it captures, and therefore should shield the spin density from the environment.... -
Generalising the link between catalytic activity and low-energy normal modes ...
Our recent theoretical and experimental characterisations of novel Pd N-heterocyclic carbene catalysts showed a clear relation between low-energy normal mode energies and...