Unlike TM oxides which are dominated with ionic character, TM carbides and nitrides are characterized with covalent bonds. The difficulty to make an effective assessment for TM carbides and nitrides mainly arises from this covalent character, with additional complexity from the diverse experimental ...
To obtain insights into the three-dimensional structure of Pa-MAP 1.9, molecular modelling simulations were performed. The lowest free-energy theoretical model for Pa-MAP 1.9 revealed a well-defined α -helical confor- mation (Fig. 5b), and also revealed an amphipathic character (Fig. ...
Due to the growing concern about antibiotic-resistant microbial infections, increasing support has been given to new drug discovery programs. A promising alternative to counter bacterial infections includes the antimicrobial peptides (AMPs), which have e
In real materials, this asymmetry is manifested in the different spatial character of conduction and valence bands.31 Heuristically, this causes the electrons (and holes) to ‘shift’ on excitation by light. In general, the shift current J is related to the electric field via the frequency- ...
It can be assumed that the membranes do not have a block but a wave character of their structure, in which the Ld, ND phase, and microdomains of lipid rafts alternate in their composition, not forming clear boundaries but smoothly changing this composition at their boundaries. The importance ...
The 11 MOs span a range of energies. Twelve of the electrons occupy the six lowest-energy MOs, which are largely ligand-atom in character. The remaining n electrons are to be accommodated in the eg and t2g sets of orbitals. The energy separation between these two sets of orbitals, the ...