68 research outputs found
Density functional study of Au (n=2-20) clusters: lowest-energy structures and electronic properties
We have investigated the lowest-energy structures and electronic properties
of the Au(n=2-20) clusters based on density functional theory (DFT) with
local density approximation. The small Au clusters adopt planar structures
up to n=6. Tabular cage structures are preferred in the range of n=10-14 and a
structural transition from tabular cage-like structure to compact
near-spherical structure is found around n=15. The most stable configurations
obtained for Au and Au clusters are amorphous instead of
icosahedral or fcc-like, while the electronic density of states sensitively
depend on the cluster geometry. Dramatic odd-even alternative behaviors are
obtained in the relative stability, HOMO-LUMO gaps and ionization potentials of
gold clusters. The size evolution of electronic properties is discussed and the
theoretical ionization potentials of Au clusters compare well with
experiments.Comment: 6 pages, 7 figure
Two Novel Point Mutations in Clinical Staphylococcus aureus Reduce Linezolid Susceptibility and Switch on the Stringent Response to Promote Persistent Infection
Staphylococcus aureus frequently invades the human bloodstream, leading to life threatening bacteremia and often secondary foci of infection. Failure of antibiotic therapy to eradicate infection is frequently described; in some cases associated with altered S. aureus antimicrobial resistance or the small colony variant (SCV) phenotype. Newer antimicrobials, such as linezolid, remain the last available therapy for some patients with multi-resistant S. aureus infections. Using comparative and functional genomics we investigated the molecular determinants of resistance and SCV formation in sequential S. aureus isolates from a patient who had a persistent and recurrent S. aureus infection, after failed therapy with multiple antimicrobials, including linezolid. Two point mutations in key staphylococcal genes dramatically affected clinical behaviour of the bacterium, altering virulence and antimicrobial resistance. Most strikingly, a single nucleotide substitution in relA (SACOL1689) reduced RelA hydrolase activity and caused accumulation of the intracellular signalling molecule guanosine 3âČ, 5âČ-bis(diphosphate) (ppGpp) and permanent activation of the stringent response, which has not previously been reported in S. aureus. Using the clinical isolate and a defined mutant with an identical relA mutation, we demonstrate for the first time the impact of an active stringent response in S. aureus, which was associated with reduced growth, and attenuated virulence in the Galleria mellonella model. In addition, a mutation in rlmN (SACOL1230), encoding a ribosomal methyltransferase that methylates 23S rRNA at position A2503, caused a reduction in linezolid susceptibility. These results reinforce the exquisite adaptability of S. aureus and show how subtle molecular changes cause major alterations in bacterial behaviour, as well as highlighting potential weaknesses of current antibiotic treatment regimens
Positron annihilation studies on the migration of deformation induced vacancies in stainless steel AISI 316 L
Luminescent Gold Nanoparticles with Mixed Valence States Generated from Dissociation of Polymeric Au(I) Thiolates
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