ETS-NOCV description of σ-hole bonding

The ETS-NOCV analysis was applied to describe the σ-hole in a systematic way in a series of halogen compounds, CF₃-X (X?=?I, Br, Cl, F), CH₃I, and C(CH3)_nH_3-n-I (n?=?1,2,3), as well as for the example germanium-based systems. GeXH₃, X?=?F, Cl, H. Further, the ETS-NOCV analysis was used to characterize bonding with ammonia for these systems. The results show that the dominating contribution to the deformation density, Δρ ₁ , exhibits the negative-value area with a minimum, corresponding to σ-hole. The “size” (spatial extension of negative value) and “depth” (minium value) of the σ-hole varies for different X in CF₃-X, and is influenced by the carbon substituents (fluorine atoms, hydrogen atoms, methyl groups). The size and depth of σ-hole decreases in the order: I, Br, Cl, F in CF₃-X. In CH₃-I and C(CH3)_nH_3-n-I, compared to CF₃-I, introduction of hydrogen atoms and their subsequent replacements by methyl groups lead to the systematic decrease in the σ-hole size and depth. The ETS-NOCV σ-hole picture is consistent with the existence the positive MEP area at the extension of σ-hole generating bond. Finally, the NOCV deformation density contours as well as by the ETS orbital-interaction energy indicate that the σ-hole-based bond with ammonia contains a degree of covalent contribution. In all analyzed systems, it was found that the electrostatic energy is approximately two times larger than the orbital-interaction term, confirming the indisputable role of the electrostatic stabilization in halogen bonding and σ-hole bonding.

Analysis of δ-globin gene alleles in Tunisians: description of three new delta-thalassemia mutations

Molecular Biology Reports - Thalassemia is one of the most prevalent worldwide autosomal recessive disorders characterized by a great molecular and clinical expression heterogeneity. Alpha and...     

Vietnamese species of Taumacera viridis–group with a description of new species (Coleoptera: Chrysomelidae: Galerucinae)

The species of Taumacera viridis species–group from Vietnam are revised. Four species are recognized. Taumacera indica (Jacoby, 1889), T. occipitalis (Laboissière, 1933) and T. variceps (Laboissière, 1933), are redescribed. Taumacera phuquoca sp. nov. from Phu Quoc National Park (southern Vietnam) is described. An identification key is provided for all Vietnamese species.www.zoobank.org/urn:lsid:zoobank.org:pub:396862F9-8A47-4101-A27C-CD0625E68FA1.     

A novel series of IKKβ inhibitors part II: description of a potent and pharmacologically active series of analogs

A novel series of (E)-1-((2-(1-methyl-1H-imidazol-5-yl) quinolin-4-yl) methylene) thiosemicarbazides was discovered as potent inhibitors of IKKβ. In this Letter we document our efforts at further optimization of this series, culminating in 2 with submicromolar potency in a HWB assay and efficacy in a CIA mouse model.     

Growth patterns of neuronal dendrites — an attempted probabilistic description

A mathematical model of dendritic branching patterns of cortical neurons is presented which describes the ontogenetic development as a function of space and time. Comparison with experimental data from the literature suggests strongly that the growth rate of a dendrite fluctuates around a mean value; the mean value is probably age-dependent. Furthermore, at the site of a bifurcation a variable delay in outgrowth for one of the two daughter segments is conjectured.     

Taxonomic review of the Indian species of Asecodes Fӧrster (Chalcidoidea: Eulophidae), with description of four new species

The Indian species of Asecodes F?rster (Eulophidae: Entedoninae) are reviewed. Six species are recognized for the genus, of which four species are described as new: A. doganlari Jamali & Zeya, sp. nov., A. massi Jamali & Zeya, sp. nov., A. sela Jamali & Zeya, sp. nov, A. zhui Jamali & Zeya, sp. nov.. One species: A. delucchii (Bou?ek) is recorded for the first time from the country.     

Extended polymorphism of the human esterase D isozyme system: description of a “new” allele EsD*11

Using "new" techniques (malic acid thin layer agarose gel electrophoresis and/or isoelectric focusing), the polymorphism of the human red cell isozyme system esterase D (ESD) was shown to be extended. We report the gene frequencies observed among 312 unrelated Caucasian individuals living in the Düsseldorf area. The finding of a "new" allele at the ESD locus is also described.     

Wrasses of the Galápagos Islands, with the description of a new deepwater species of Halichoeres (Perciformes: Labridae)

Halichoeres raisneri, new species, is described from three specimens captured by the Johnson Sea Link submersible at 114-125 m off Wolf Island, Galápagos. Distinctive features of the new species include a dorsally projecting fleshy flap along the posterior three-quarters of the upper lip and the absence of a canine tooth at the corner of the upper jaw. The body color of freshly caught females is pale pink with two yellow stripes and five prominent pink spots above the uppermost stripe. Similarities between the new species and other labrids are discussed, and a key to the 16 nominal species of Labridae known from the Galápagos Islands is provided. Decodon melasma is recorded from the Archipelago for the first time.     

First Australian records of Scalaronoba Powell, 1927 (Gastropoda: Aclididae?), with the description of two new species from Victoria

The marine microgastropod genus Scalaronoba Powell, 1927 (Gastropoda: Aclididae?) is recorded from Australia for the first time, with the new species Scalaronoba kryptopleurakia n. sp. and Scalaronoba arenula n. sp. described from central Victoria. Three other indeterminate Victorian specimens are illustrated and discussed. These are the first records for the genus outside New Zealand. The uncertainty of the familial placement of Scalaronoba is discussed. These species are noted as being amongst the smallest gastropods to be recorded from Victorian waters. http://www.zoobank.org/urn:lsid:zoobank.org:pub:98860E57-6EC0-4F15-93D7-34A823E41E07     

Dictyostelids living in the soils of the Atlantic forest, Iguazú region, Misiones, Argentina: description of new species

Thirteen new species and varieties of dictyostelid cellular slime molds (csm) were isolated from soils of the Atlantic Subtropical Rain Forest at the Iguazú Falls, Northeastern Misiones Province, Argentina. Seven new species are described herein, one of them is a Polysphondylium, while the rest of the species belong to the genus Dictyostelium. Also, six taxa are new varieties of Dictyostelium and Acytostelium, which will be reported later. Fourteen Northern Hemisphere (Tikal) species have also been isolated from Iguazú soils, some of them new records for Southern South America. This csm community, when compared with others from forests of the Northern Hemisphere, particularly Tikal, Guatemala, give some insight into a possibly different evolutionary history and/or natural selection in the two areas.     

Continuum description of the Poisson׳s ratio of ligament and tendon under finite deformation

Ligaments and tendons undergo volume loss when stretched along the primary fiber axis, which is evident by the large, strain-dependent Poisson?s ratios measured during quasi-static tensile tests. Continuum constitutive models that have been used to describe ligament material behavior generally assume incompressibility, which does not reflect the volumetric material behavior seen experimentally. We developed a strain energy equation that describes large, strain dependent Poisson?s ratios and nonlinear, transversely isotropic behavior using a novel method to numerically enforce the desired volumetric behavior. The Cauchy stress and spatial elasticity tensors for this strain energy equation were derived and implemented in the FEBio finite element software (www.febio.org). As part of this objective, we derived the Cauchy stress and spatial elasticity tensors for a compressible transversely isotropic material, which to our knowledge have not appeared previously in the literature. Elastic simulations demonstrated that the model predicted the nonlinear, upwardly concave uniaxial stress–strain behavior while also predicting a strain-dependent Poisson?s ratio. Biphasic simulations of stress relaxation predicted a large outward fluid flux and substantial relaxation of the peak stress. Thus, the results of this study demonstrate that the viscoelastic behavior of ligaments and tendons can be predicted by modeling fluid movement when combined with a large Poisson?s ratio. Further, the constitutive framework provides the means for accurate simulations of ligament volumetric material behavior without the need to resort to micromechanical or homogenization methods, thus facilitating its use in large scale, whole joint models.     

PI (α1) polymorphism in the Japanese: Confirmation of PI*M4 and description of new PI variants

PI phenotyping by separator isoelectric focusing (SIEF) was performed on a total of 1000 unrelated Japanese individuals from two different areas of Western Japan. The PI M1M4 subtype was observed together with the six common PI M subtypes. PI*M4 was confirmed to be present but rare in the Japanese. Several new PI variants were identified by comparison runs of each variant with previously reported genetic variants. The significance of treatment of serum with dithiothreitol (DTT) followed by iodacetic acid (IAC) in determination of PI variants is also described.     

Morphological and karyotypic analysis of five blackfly species of the genus Cnetha (Diptera: Simulidae): description of the novel species from the Dzhrvezhskiĭ canyon in Armenia

Morphological and karyotypical features of a new blackfly species Cnetha akopi sp. n. from Armenia are described. Comparative analysis of the new species and four closely related endemic species from Caucasus is performed. Photographic maps of polythene chromosomes are provided.