Effect of HO on the Structure and Dynamics of Water at the Interface with Phospholipid Bilayers.

This study investigates the effect of hydronium ions (HO) on the structure and dynamics of water at the interface of a phospholipid bilayer using molecular dynamics simulations of a POPC bilayer in the presence and absence of HO ions. From these simulations, the survival probability, hydrogen bond lifetimes, orientation relaxation, and angular distribution of interfacial water, at increasing distances from the membrane surface, were calculated. Simulations of POPC in the absence of HO ions reproduce previously reported deviations of interfacial water from the properties of bulk water.

Heterologous biosynthesis of elsinochrome A sheds light on the formation of the photosensitive perylenequinone system.

Perylenequinones are a class of aromatic polyketides characterised by a highly conjugated pentacyclic core, which confers them with potent light-induced bioactivities and unique photophysical properties. Despite the biosynthetic gene clusters for the perylenequinones elsinochrome A (), cercosporin () and hypocrellin A () being recently identified, key biosynthetic aspects remain elusive. Here, we first expressed the intact gene cluster encoding from the wheat pathogen heterologously in on a yeast-fungal artificial chromosome (YFAC).

Computational design of bio-inspired carnosine-based HOBr antioxidants.

During a respiratory burst the enzyme myeloperoxidase generates significant amounts of hypohalous acids (HOX, X = Cl and Br) in order to inflict oxidative damage upon invading pathogens. However, excessive production of these potent oxidants is associated with numerous inflammatory diseases. It has been suggested that the endogenous antioxidant carnosine is an effective HOCl scavenger.