Exploring Dihydroflavonol-4-Reductase Reactivity and Selectivity by QM/MM-MD Simulations

Flavonoids are secondary metabolites ubiquitously found in plants. Their antioxidant properties make them highly interesting natural compounds for use in pharmacology. Therefore, unravelling the mechanisms of flavonoid biosynthesis is an important challenge. Among all the enzymes involved in this biosynthetic pathway, dihydroflavonol-4-reductase (DFR) plays a key role in the production of anthocyanins and proanthocyanidins. Here, we provide new information on the mechanism of action of this enzyme by using QM/MM-MD simulations applied to both dihydroquercetin (DHQ) and dihydrokaempferol (DHK) substrates. The consideration of these very similar compounds shed light on the major role played by the enzyme on the stabilization of the transition state but also on the activation of the substrate before the reaction through near-attack conformer effects.     

Gas transfer properties of wheat gluten coated paper adapted to eMAP of fresh parsley

Gas transfer properties of wheat gluten (WG) coated paper and their ability to fulfil the requirements in eMAP of fresh parsley were studied. Permeation of gases through WG-paper was demonstrated to be RH-dependent and closely related to structural modification in the WG layer. Formation of micro-cracks was evidenced in dry conditions; but when increasing RH, plasticisation occurs within the protein layer and micro-fractures were reduced until disappearance. This reversible phenomenon allowed the WG-layer to recover its integrity at RH higher than 70%, and the WG character to be expressed in such conditions. When used at 20 °C and 80% RH as part of the packaging of parsley, modified atmosphere was created and a steady state of 11 kPa O₂ and 4.5 kPa CO₂ was reached after 45 h. In such conditions, the overall quality of parsley leaves remained acceptable during 8 days, with only 28% loss of chlorophyll.