First-principles study of crystalline bundles of single-walled boron nanotubes with small diameter

First-principles calculations based on density functional theory are performed to study structural and electronic properties of crystalline bundles of (n,0) zigzag and (0,n) armchair-type single-walled boron nanotubes (SWBNT) with small diameter, about 4-6. The results predict a modification in the properties of SWBNT bundles relative to those of isolated nanotubes with small diameter. The predicted modification can be attributed to a significant interplay between intra-and inter-tubular bonds in determining the stability of bundles of small diameter SWBNT, analogous to the role played by intra-and inter-icosahedral bonds in the boron crystalline solids. © IOP Publishing Ltd

Bilateral adrenalectomy for asynchronous metastases of a malignant melanoma

Indexación: Web of Science; Scielo.Clinical case: We report a 70 years old male with a history of an ear lobe melanoma with was excised seven years ago, who had a bronchial relapse and required a right pneumonectomy. During a follow up abdominal CAT scan, a 9 cm tumor in the left adrenal gland was detected. The patient was operated, performing a left adrenalectomy and nephrectomy. The pathologic study confirmed the presence of a fusocellular melanoma. One year later, a right adrenal mass was detected and excised. The pathological study of the piece again confirmed a metastasis of a malignant melanoma. The patient died due to progression of the disease, 10 years after the adrenalectomy. Key words: Adrenal metastases, laparoscopic adrenalectomy, melanoma.Objetivo: Presentar un caso de metástasis suprarrenal bilateral asincrónica de Melanoma cutáneo tratado con adrenalectomía laparoscópica bilateral. Caso clínico: Paciente de 70 años con antecedente de melanoma del pabellón auricular extirpado 7 años antes de su consulta urológica. Posteriormente, presenta una recidiva bronquial tratada con quimioterapia, radioterapia y neumonectomía derecha. En sus exámenes de seguimiento una Tomografía computada muestra el hallazgo incidental de una lesión tumoral de 9 cm en la glándula suprarrenal izquierda. Se realizó nefrectomía y adrenalectomía izquierda laparoscópica en bloque sin incidencias. El análisis histopatológico confirmó el hallazgo de una metástasis de melanoma fuso-celular. Un año después el paciente presenta un nuevo hallazgo incidental de un tumor de 3 cm en la glándula suprarrenal derecha, la cual fue tratada con adrenalectomía laparoscópica, y cuyo análisis histopatológico demostró metástasis de melanoma maligno. El paciente fallece por progresión de su enfermedad 10 años después de su cirugía suprarrenal. Conclusiones: En los pacientes con metástasis suprarrenal de melanoma, la adrenalectomía incrementa la supervivencia cáncer especifica en relación a los pacientes tratados sin cirugía. El abordaje laparoscópico constituye una alternativa terapéutica con menor morbilidad que la cirugía abierta en cirujanos con experiencia laparoscópica. Palabras clave: Metástasis suprarrenal, adrenalectomía laparoscópica, melanoma.http://ref.scielo.org/mymgk

Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach

The ab initio periodic unrestricted Hartree-Fock method has been applied in the investigation of the ground-state structural, electronic, and magnetic properties of the rutile-type compounds MF2 (M=Mn, Fe, Co, and Ni). All electron Gaussian basis sets have been used. The systems turn out to be large band-gap antiferromagnetic insulators; the optimized geometrical parameters are in good agreement with experiment. The calculated most stable electronic state shows an antiferromagnetic order in agreement with that resulting from neutron scattering experiments. The magnetic coupling constants between nearest-neighbor magnetic ions along the [001], [111], and [100] (or [010]) directions have been calculated using several supercells. The resulting ab initio magnetic coupling constants are reasonably satisfactory when compared with available experimental data. The importance of the Jahn-Teller effect in FeF2 and CoF2 is also discussed

Exploitation of symmetry in periodic Self-Consistent-Field ab initio calculations: application to large three-dimensional compounds

Symmetry can dramatically reduce the computational cost (running time and memory allocation) of Self-Consistent-Field ab initio calculations for crystalline systems. Crucial for running time is use of symmetry in the evaluation of one- and two-electron integrals, diagonalization of the Fock matrix at selected points in reciprocal space, reconstruction of the density matrix. As regards memory allocation, full square matrices (overlap, Fock and density) in the Atomic Orbital (AO) basis are avoided and a direct transformation from the packed AO to the SACO (Symmetry Adapted Crystalline Orbital) basis is performed, so that the largest matrix to be handled has the size of the largest sub-block in the latter basis. We here illustrate the effectiveness of this scheme, following recent advancements in the CRYSTAL code, concerning memory allocation and direct basis set transformation. Quantitative examples are given for large unit cell systems, such as zeolites (all-silica faujasite and silicalite MFI) and garnets (pyrope). It is shown that the full SCF of 3D systems containing up to 576 atoms and 11136 Atomic Orbitals in the cell can be run with a hybrid functional on a single core PC with 500 MB RAM in about 8 h. © 2014 Science China Press and Springer-Verlag Berlin Heidelberg

Different metabolic and anthropometric characteristics of TVD, CBV or KVX associated with nevirapine: Results from the "NEVIRAPINE COMPANION" cohort

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Central nervous system vasculitis in a patient with HIV infection: a diagnostic challenge

Univ Fed Sao Paulo, Dept Neurol, Sao Paulo, SP, BrazilUniv Fed Sao Paulo, Div Doencas Infecciosas, Rua Napoleao Barros,715, BR-04023900 Sao Paulo, SP, BrazilUniv Fed Sao Paulo, Dept Radiol, Sao Paulo, SP, BrazilUniv Fed Sao Paulo, Dept Neurol, Sao Paulo, SP, BrazilUniv Fed Sao Paulo, Div Doencas Infecciosas, Rua Napoleao Barros,715, BR-04023900 Sao Paulo, SP, BrazilUniv Fed Sao Paulo, Dept Radiol, Sao Paulo, SP, BrazilWeb of Scienc

Chromosomal painting and ZW sex chromosomes differentiation in Characidium (Characiformes, Crenuchidae)

<p>Abstract</p> <p>Background</p> <p>The <it>Characidium </it>(a Neotropical fish group) have a conserved diploid number (2n = 50), but show remarkable differences among species and populations in relation to sex chromosome systems and location of nucleolus organizer regions (NOR). In this study, we isolated a W-specific probe for the <it>Characidium </it>and characterized six <it>Characidium </it>species/populations using cytogenetic procedures. We analyzed the origin and differentiation of sex and NOR-bearing chromosomes by chromosome painting in populations of <it>Characidium </it>to reveal their evolution, phylogeny, and biogeography.</p> <p>Results</p> <p>A W-specific probe for efficient chromosome painting was isolated by microdissection and degenerate oligonucleotide primed-polymerase chain reaction (DOP-PCR) amplification of W chromosomes from <it>C. gomesi</it>. The W probe generated weak signals dispersed on the proto sex chromosomes in <it>C. zebra</it>, dispersed signals in both W and Z chromosomes in <it>C. lauroi </it>and, in <it>C. gomesi </it>populations revealed a proximal site on the long arms of the Z chromosome and the entire W chromosome. All populations showed small terminal W probe sites in some autosomes. The 18S rDNA revealed distinctive patterns for each analyzed species/population with regard to proto sex chromosome, sex chromosome pair, and autosome location.</p> <p>Conclusions</p> <p>The results from dual-color fluorescence <it>in situ </it>hybridization (dual-color FISH) using W and 18S rDNA probes allowed us to infer the putative evolutionary pathways for the differentiation of sex chromosomes and NORs, from structural rearrangements in a sex proto-chromosome, followed by gene erosion and heterochromatin amplification, morphological differentiation of the sex chromosomal pair, and NOR transposition, giving rise to the distinctive patterns observed among species/populations of <it>Characidium</it>. Biogeographic isolation and differentiation of sex chromosomes seem to have played a major role in the speciation process in this group of fish.</p