92 research outputs found
Interplay of structure and spin-orbit strength in magnetism of metal-benzene sandwiches: from single molecules to infinite wires
Based on first-principles density functional theory calculations we explore
electronic and magnetic properties of experimentally producible sandwiches and
infinite wires made of repeating benzene molecules and transition-metal atoms
of V, Nb, and Ta. We describe the bonding mechanism in the molecules and in
particular concentrate on the origin of magnetism in these structures. We find
that all the considered systems have sizable magnetic moments and ferromagnetic
spin-ordering, with the single exception of the V3-Bz4 molecule. By including
the spin-orbit coupling into our calculations we determine the easy and hard
axes of the magnetic moment, the strength of the uniaxial magnetic anisotropy
energy (MAE), relevant for the thermal stability of magnetic orientation, and
the change of the electronic structure with respect to the direction of the
magnetic moment, important for spin-transport properties. While for the V-based
compounds the values of the MAE are only of the order of 0.05-0.5 meV per metal
atom, increasing the spin-orbit strength by substituting V with heavier Nb and
Ta allows to achieve an increase in anisotropy values by one to two orders of
magnitude. The rigid stability of magnetism in these compounds together with
the strong ferromagnetic ordering makes them attractive candidates for
spin-polarized transport applications. For a Nb-benzene infinite wire the
occurrence of ballistic anisotropic magnetoresistance is demonstrated.Comment: 23 pages, 8 figure
Theoretical analysis of magnetic coupling in sandwich clusters V_n(C_6H_6)_{n+1}
The mechanism of ferromagnetism stability in sandwich clusters
V(CH) has been studied by first-principles calculation and
model analysis. It is found that each of the three types of bonds between V and
benzene (Bz) plays different roles. V 3d orbital, extending along the
molecular axis, is weakly hybridized with Bz's HOMO-1 orbital to form the
-bond. It is quite localized and singly occupied, which contributes
1 to the magnetic moment but little to the magnetic coupling of
neighboring V magnetic moments. The in-plane d, d orbitals
are hybridized with the LUMO of Bz and constitute the -bond. This
hybridization is medium and crucial to the magnetic coupling though the
states have no net contribution to the total magnetic moment.
d, d and HOMO of Bz form a quite strong -bond to hold the
molecular structure but they are inactive in magnetism because their energy
levels are far away from the Fermi level. Based on the results of
first-principles calculation, we point out that the ferromagnetism stability is
closely related with the mechanism proposed by Kanamori and Terakura [J.
Kanamori and K. Terakura, J. Phys. Soc. Jpn. 70, 1433 (2001)]. However, the
presence of edge Bz's in the cluster introduces an important modification. A
simple model is constructed to explain the essence of the physical picture.Comment: 16 pages, 7 figure
Optical Excitations and Field Enhancement in Short Graphene Nanoribbons
The optical excitations of elongated graphene nanoflakes of finite length are
investigated theoretically through quantum chemistry semi-empirical approaches.
The spectra and the resulting dipole fields are analyzed, accounting in full
atomistic details for quantum confinement effects, which are crucial in the
nanoscale regime. We find that the optical spectra of these nanostructures are
dominated at low energy by excitations with strong intensity, comprised of
characteristic coherent combinations of a few single-particle transitions with
comparable weight. They give rise to stationary collective oscillations of the
photoexcited carrier density extending throughout the flake, and to a strong
dipole and field enhancement. This behavior is robust with respect to width and
length variations, thus ensuring tunability in a large frequency range. The
implications for nanoantennas and other nanoplasmonic applications are
discussed for realistic geometries
Identification of DreI as an Antiviral Factor Regulated by RLR Signaling Pathway
BACKGROUND:Retinoic acid-inducible gene I (RIG-I)-like receptors (RLRs) had been demonstrated to prime interferon (IFN) response against viral infection via the conserved RLR signaling in fish, and a novel fish-specific gene, the grass carp reovirus (GCRV)-induced gene 2 (Gig2), had been suggested to play important role in host antiviral response. METHODOLOGY/PRINCIPAL FINDINGS:In this study, we cloned and characterized zebrafish Gig2 homolog (named Danio rerio Gig2-I, DreI), and revealed its antiviral role and expressional regulation signaling pathway. RT-PCR, Western blot and promoter activity assay indicate that DreI can be induced by poly I:C, spring viremia of carp virus (SVCV) and recombinant IFN (rIFN), showing that DreI is a typical ISG. Using the pivotal signaling molecules of RLR pathway, including RIG-I, MDA5 and IRF3 from crucian carp, it is found that DreI expression is regulated by RLR cascade and IRF3 plays an important role in this regulation. Furthermore, promoter mutation assay confirms that the IFN-stimulated regulatory elements (ISRE) in the 5' flanking region of DreI is essential for its induction. Finally, overexpression of DreI leads to establish a strong antiviral state against SVCV and Rana grylio virus (RGV) infection in EPC (Epithelioma papulosum cyprinid) cells. CONCLUSIONS/SIGNIFICANCE:These data indicate that DreI is an antiviral protein, which is regulated by RLR signaling pathway
Sequencing the genome of the Atlantic salmon (Salmo salar)
The International Collaboration to Sequence the Atlantic Salmon Genome (ICSASG) will produce a genome sequence that identifies and physically maps all genes in the Atlantic salmon genome and acts as a reference sequence for other salmonids
Gene expression analyses of immune responses in Atlantic salmon during early stages of infection by salmon louse (Lepeophtheirus salmonis) revealed bi-phasic responses coinciding with the copepod-chalimus transition
The salmon louse (Lepeophtheirus salmonis Krøyer), an ectoparasitic copepod with a complex life cycle causes significant losses in salmon aquaculture. Pesticide treatments against the parasite raise environmental concerns and their efficacy is gradually decreasing. Improvement of fish resistance to lice, through biological control methods, needs better understanding of the protective mechanisms. We used a 21 k oligonucleotide microarray and RT-qPCR to examine the time-course of immune gene expression changes in salmon skin, spleen, and head kidney during the first 15 days after challenge, which encompassed the copepod and chalimus stages of lice development. Results Large scale and highly complex transcriptome responses were found already one day after infection (dpi). Many genes showed bi-phasic expression profiles with abrupt changes between 5 and 10 dpi (the copepod-chalimus transitions); the greatest fluctuations (up- and down-regulation) were seen in a large group of secretory splenic proteases with unknown roles. Rapid sensing was witnessed with induction of genes involved in innate immunity including lectins and enzymes of eicosanoid metabolism in skin and acute phase proteins in spleen. Transient (1-5 dpi) increase of T-cell receptor alpha, CD4-1, and possible regulators of lymphocyte differentiation suggested recruitment of T-cells of unidentified lineage to the skin. After 5 dpi the magnitude of transcriptomic responses decreased markedly in skin. Up-regulation of matrix metalloproteinases in all studied organs suggested establishment of a chronic inflammatory status. Up-regulation of putative lymphocyte G0/G1 switch proteins in spleen at 5 dpi, immunoglobulins at 15 dpi; and increase of IgM and IgT transcripts in skin indicated an onset of adaptive humoral immune responses, whereas MHCI appeared to be down-regulated. Conclusions Atlantic salmon develops rapid local and systemic reactions to L. salmonis, which, however, do not result in substantial level of protection. The dramatic changes observed after 5 dpi can be associated with metamorphosis of copepod, immune modulation by the parasite, or transition from innate to adaptive immune responses
Patterns of natural selection acting on the mitochondrial genome of a locally adapted fish species
Distinct herpesvirus resistances and immune responses of three gynogenetic clones of gibel carp revealed by comprehensive transcriptomes
Comparative Genomic Characterization of Three Streptococcus parauberis Strains in Fish Pathogen, as Assessed by Wide-Genome Analyses
Streptococcus parauberis, which is the main causative agent of streptococcosis among olive flounder (Paralichthys olivaceus) in northeast Asia, can be distinctly divided into two groups (type I and type II) by an agglutination test. Here, the whole genome sequences of two Japanese strains (KRS-02083 and KRS-02109) were determined and compared with the previously determined genome of a Korean strain (KCTC 11537). The genomes of S. parauberis are intermediate in size and have lower GC contents than those of other streptococci. We annotated 2,236 and 2,048 genes in KRS-02083 and KRS-02109, respectively. Our results revealed that the three S. parauberis strains contain different genomic insertions and deletions. In particular, the genomes of Korean and Japanese strains encode different factors for sugar utilization; the former encodes the phosphotransferase system (PTS) for sorbose, whereas the latter encodes proteins for lactose hydrolysis, respectively. And the KRS-02109 strain, specifically, was the type II strain found to be able to resist phage infection through the clustered regularly interspaced short palindromic repeats (CRISPR)/Cas system and which might contribute valuably to serologically distribution. Thus, our genome-wide association study shows that polymorphisms can affect pathogen responses, providing insight into biological/biochemical pathways and phylogenetic diversity
Long-Lived Triplet State Charge Separation in Novel Piperidine-Bridged Donor−Acceptor Systems
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