A new approach, based on the use of fragment Quantum Self-Similarity Measures (MQS-SM) as descriptors of electronic substituent effect in aromatic series, was proposed. The novelty of this approach consists of the fact that the corresponding MQS-SM are not derived, as usual, from ordinary density functions (DF) but from the so-called domain averaged Fermi holes. This approach was applied to the...

Carboxyl methyltransferase (CMT) enzymes catalyse the biomethylation of carboxylic acids under aqueous conditions and have potential for use in synthetic enzyme cascades. Herein we report that FtpM from Aspergillus fumigatus can methylate a broad range aromatic mono- dicarboxylic good to excellent conversions. The shows high regioselectivity on its natural substrate fumaryl-l-tyrosine, trans, t...

The implementation of light-driven catalytic processes in biocatalysis opens a golden window opportunities. We hereby report the merging photocatalytic C?C bond formation with enzymatic asymmetric reduction for direct conversion simple aldehydes and acrylates or unsaturated carboxylic acids into chiral ?-lactones. Tetrabutylammonium decatungstate (TBADT) is employed as photocatalyst to trigger ...

Rates of acid catalysed decarboxylation in both H,O and D,O a t 25" are reported for indole-3-carboxylic acid and its 2-methyl and 5-chloro-derivatives, and fur indole-3-carboxylic acid in aqueous pyridine buffers a t 60". The experimental data are shown to fitwell with the kinetic expression (Rate = (a + b[L,O+]/(I + c[L30+])} [Substrate]) obtained for the decarboxylation of other aromatic and...

The reductive amination of benzoic acid and its derivatives would be an effective addition to current synthesis methods for benzylamine. However, with technology it is very difficult keep the aromaticity intact when starting from acid, salt wastes are often generated in process. Here, we report a heterogeneous catalytic system such amination, requiring solely H2 NH3 as reactants. Ag/TiO2 or Au/...