7 research outputs found

    Orbital contribution to the magnetic properties of nanowires: Is the orbital polarization ansatz justified?

    Get PDF
    We show that considerable orbital magnetic moments and magneto-crystalline anisotropy energies are obtained for a Fe monatomic wire described in a tight-binding method with intra-atomic electronic interactions treated in a full Hartree Fock (HF) decoupling scheme. Even-though the use of the orbital polarization ansatz with simplified Hamiltonians leads to fairly good results when the spin magnetization is saturated this is not the case of unsaturated systems. We conclude that the full HF scheme is necessary to investigate low dimensional systems

    Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae

    Full text link
    The rise of antimicrobial resistance poses a substantial threat to our health system, and, hence, development of drugs against novel targets is urgently needed. The natural peptide thanatin kills Gram-negative bacteria by targeting proteins of the lipopolysaccharide transport (Lpt) machinery. Using the thanatin scaffold together with phenotypic medicinal chemistry, structural data, and a target-focused approach, we developed antimicrobial peptides with drug-like properties. They exhibit potent activity against Enterobacteriaceae both in vitro and in vivo while eliciting low frequencies of resistance. We show that the peptides bind LptA of both wild-type and thanatin-resistant Escherichia coli and Klebsiella pneumoniae strains with low-nanomolar affinities. Mode of action studies revealed that the antimicrobial activity involves the specific disruption of the Lpt periplasmic protein bridge

    A fiducial reference site for satellite altimetry in Crete, Greece

    No full text
    Summarization: With the advent of diverse satellite altimeters and variant measuring techniques, it has become mature in the scientific community, that an absolute reference Cal/Val site is regularly maintained to define, monitor, control the responses of any altimetric system. This work sets the ground for the establishment of a Fiducial Reference Site for ESA satellite altimetry in Gavdos and West Crete, Greece. It will consistently and reliably determine (a) absolute altimeter biases and their drifts; (b) relative bias among diverse missions; but also (c) continuously and independently connect different missions, on a common and reliable reference and also to SI-traceable measurements. Results from this fiducial reference site will be based on historic Cal/Val site measurement records, and will be the yardstick for building up capacity for monitoring climate change. This will be achieved by defining and assessing any satellite altimeter measurements to known, controlled and absolute reference signals with different techniques, processes and instrumentation.Presented on

    Chimeric peptidomimetic antibiotics against Gram-negative bacteria

    Full text link
    There is an urgent need for new antibiotics against Gram-negative pathogens that are resistant to carbapenem and third-generation cephalosporins, against which antibiotics of last resort have lost most of their efficacy. Here we describe a class of synthetic antibiotics inspired by scaffolds derived from natural products. These chimeric antibiotics contain a β-hairpin peptide macrocycle linked to the macrocycle found in the polymyxin and colistin family of natural products. They are bactericidal and have a mechanism of action that involves binding to both lipopolysaccharide and the main component (BamA) of the β-barrel folding complex (BAM) that is required for the folding and insertion of β-barrel proteins into the outer membrane of Gram-negative bacteria. Extensively optimized derivatives show potent activity against multidrug-resistant pathogens, including all of the Gram-negative members of the ESKAPE pathogens1^{1}. These derivatives also show favourable drug properties and overcome colistin resistance, both in vitro and in vivo. The lead candidate is currently in preclinical toxicology studies that-if successful-will allow progress into clinical studies that have the potential to address life-threatening infections by the Gram-negative pathogens, and thus to resolve a considerable unmet medical need
    corecore