From Simple Palladium(II) Monomers to 2D Heterometallic Sodium-Palladium(II) Coordination Networks with 2-Halonicotinates.

The 2D heterometallic sodium-palladium(II) coordination polymers with 2-halonicotinates [2-chloropyridine-3-carboxylate (2-chloronicotinate), 2-Clnic and 2-bromopyridine-3-carboxylate (2-bromonicotinate), 2-Brnic], {[Na(HO)(μ-HO)PdCl(μ-2-Clnic-')]} (), and {[Na(HO)(μ-HO)PdBr(μ-2-Brnic-')]·2HO} () were prepared in aqueous solutions under the presence of NaHCO, while palladium(II) monomers with the neutral 2-chloronicotinic and 2-bromonicotinic acid ligands, [PdCl(2-ClnicH-)]·2DMF () and [PdCl(2-BrnicH-)]·2DMF (), were prepared in DMF/water mixtures (DMF = ,'-dimethylformamide). The zigzag chains of water-bridged sodium ions are in turn bridged by [PdCl(2-Clnic)] moieties in or by [PdBr(2-Brnic)] moieties in , leading to the formation of the infinite 2D coordination networks of or . The DFT calculations showed the halosubstituents type (Cl Br) does not have an influence on the formation of either or isomers.

Relating Molecular Dynamics Simulations to Functional Activity for Gly-Rich Membranolytic Helical Kiadin Peptides.

Kiadins are in silico designed peptides with a strong similarity to PGLa-H, a tandem sequence of PGLa-H (KIAKVALKAL) and with single, double or quadruple glycine substitutions. They were found to show high variability in their activity and selectivity against Gram-negative and Gram-positive bacteria, as well as cytotoxicity against host cells, which are influenced by the number and placing of glycine residues along the sequence. The conformational flexibility introduced by these substitutions contributes differently peptide structuring and to their interactions with the model membranes, as observed by molecular dynamics simulations.

Anisaxins, helical antimicrobial peptides from marine parasites, kill resistant bacteria by lipid extraction and membrane disruption.

An infecting and propagating parasite relies on its innate defense system to evade the host's immune response and to survive challenges from commensal bacteria. More so for the nematode Anisakis, a marine parasite that during its life cycle encounters both vertebrate and invertebrate hosts and their highly diverse microbiotas. Although much is still unknown about how the nematode mitigates the effects of these microbiota, its antimicrobial peptides likely play an important role in its survival.