On the Simulation of Photoreactions Using Restricted Open-Shell Kohn-Sham Theory.

It is a well-established standard to describe ground-state chemical reactions at an ab initio level of multi-electron theory. Fast reactions can be directly simulated. The most widely used approach is density functional theory for the electronic structure in combination with molecular dynamics for the nuclear motion.

Assessing the individual microbial inhibitory capacity of different sugars against pathogens commonly found in food systems.

Highly concentrated sugar solutions are known to be effective antimicrobial agents. However, it is unknown whether this effect is solely the result of the collective osmotic effect imparted by a mixture of sugars or whether the type of carbohydrate used also has an individual chemical effect on bacterial responses, that is, inhibition/growth. In view of this, in this work, the antimicrobial properties of four sugars, namely, glucose, fructose, sucrose and maltose against three common food pathogens; Staphylococcus aureus, Escherichia coli and Salmonella enterica, were investigated using a turbidimetric approach.

Trypanocidal Activity of Flavokawin B, a Component of Polygonum ferrugineum Wedd.

The trypanocidal potential of the natural chalcone flavokawin B, which was isolated from the hexanic extract of Wedd., is reported here. Although flavokawin B is widespread, this is the first report about its trypanocidal properties on both (IC = 9.