45 research outputs found
Shape-resonant superconductivity in nanofilms: from weak to strong coupling
Ultrathin superconductors of different materials are becoming a powerful
platform to find mechanisms for enhancement of superconductivity, exploiting
shape resonances in different superconducting properties. Here we evaluate the
superconducting gap and its spatial profile, the multiple gap components, and
the chemical potential, of generic superconducting nanofilms, considering the
pairing attraction and its energy scale as tunable parameters, from weak to
strong coupling, at fixed electron density. Superconducting properties are
evaluated at mean field level as a function of the thickness of the nanofilm,
in order to characterize the shape resonances in the superconducting gap. We
find that the most pronounced shape resonances are generated for weakly coupled
superconductors, while approaching the strong coupling regime the shape
resonances are rounded by a mixing of the subbands due to the large energy gaps
extending over large energy scales. Finally, we find that the spatial profile,
transverse to the nanofilm, of the superconducting gap acquires a flat behavior
in the shape resonance region, indicating that a robust and uniform multigap
superconducting state can arise at resonance.Comment: 7 pages, 4 figures. Submitted to the Proceedings of the Superstripes
2016 conferenc
In silico identification of two peptides with antibacterial activity against multidrug-resistant Staphylococcus aureus
Here we report two antimicrobial peptides (AMPs), HG2 and HG4 identified from a rumen microbiome metagenomic dataset, with activity against multidrug-resistant (MDR) bacteria, especially methicillin-resistant Staphylococcus aureus (MRSA) strains, a major hospital and community-acquired pathogen. We employed the classifier model design to analyse, visualise, and interpret AMP activities. This approach allowed in silico discrimination of promising lead AMP candidates for experimental evaluation. The lead AMPs, HG2 and HG4, are fast-acting and show anti-biofilm and anti-inflammatory activities in vitro and demonstrated little toxicity to human primary cell lines. The peptides were effective in vivo within a Galleria mellonella model of MRSA USA300 infection. In terms of mechanism of action, HG2 and HG4 appear to interact with the cytoplasmic membrane of target cells and may inhibit other cellular processes, whilst preferentially binding to bacterial lipids over human cell lipids. Therefore, these AMPs may offer additional therapeutic templates for MDR bacterial infections
In silico identification of two peptides with antibacterial activity against multidrug-resistant Staphylococcus aureus
Here we report two antimicrobial peptides (AMPs), HG2 and HG4 identified from a rumen microbiome metagenomic dataset, with activity against multidrug-resistant (MDR) bacteria, especially methicillin-resistant Staphylococcus aureus (MRSA) strains, a major hospital and community-acquired pathogen. We employed the classifier model design to analyse, visualise, and interpret AMP activities. This approach allowed in silico discrimination of promising lead AMP candidates for experimental evaluation. The lead AMPs, HG2 and HG4, are fast-acting and show anti-biofilm and anti-inflammatory activities in vitro and demonstrated little toxicity to human primary cell lines. The peptides were effective in vivo within a Galleria mellonella model of MRSA USA300 infection. In terms of mechanism of action, HG2 and HG4 appear to interact with the cytoplasmic membrane of target cells and may inhibit other cellular processes, whilst preferentially binding to bacterial lipids over human cell lipids. Therefore, these AMPs may offer additional therapeutic templates for MDR bacterial infections
In silico identification of novel peptides with antibacterial activity against multidrug resistant Staphylococcus aureus
Herein we report the identification and characterisation of two linear antimicrobial peptides (AMPs), HG2 and HG4, with activity against a wide range of multidrug resistant (MDR) bacteria, especially methicillin resistant Staphylococcus aureus (MRSA) strains, a highly problematic group of Gram-positive bacteria in the hospital and community environment. To identify the novel AMPs presented here, we employed the classifier model design, a feature extraction method using molecular descriptors for amino acids for the analysis, visualization, and interpretation of AMP activities from a rumen metagenomic dataset. This allowed for the in silico discrimination of active and inactive peptides in order to define a small number of promising novel lead AMP test candidates for chemical synthesis and experimental evaluation. In vitro data suggest that the chosen AMPs are fast acting, show strong biofilm inhibition and dispersal activity and are efficacious in an in vivo model of MRSA USA300 infection, whilst showing little toxicity to human erythrocytes and human primary cell lines ex vivo. Observations from biophysical AMP-lipid-interactions and electron microscopy suggest that the newly identified peptides interact with the cell membrane and may be involved in the inhibition of other cellular processes. Amphiphilic conformations associated with membrane disruption are also observed in 3D molecular modelling of the peptides. HG2 and HG4 both preferentially bind to MRSA total lipids rather than with human cell lipids indicating that HG4 may form superior templates for safer therapeutic candidates for MDR bacterial infections