Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.

Involved in numerous key biological functions, protein helix-helix interactions follow a well-defined intermolecular recognition pattern. The characteristic structure of the α-helical coiled-coil allows for the specific randomization of clearly defined interaction partners within heteromeric systems. In this work, a rationally designed heterodimeric coiled-coil was used to investigate potential factors influencing the sequence selectivity in interhelical interactions.

Understanding CeO2 as a Deacon catalyst by probe molecule adsorption and in situ infrared characterisations.

CeO(2) has been identified as an efficient catalyst for HCl oxidation in the temperature range of 623-723 K provided that the oxygen content in the feed mixture was sufficiently high to avoid bulk chlorination and thus deactivation. Here we characterise ceria in its fresh and post-reaction states by adsorption of CO(2), NH(3) and CO. Micro-calorimetry, FTIR and TPD experiments are complemented by DFT calculations, which assess adsorption energies and vibrational frequencies.