Out-of-core solution of eigenproblems for macromolecular simulations

We consider the solution of large-scale eigenvalue problems that appear in the motion simulation of complex macromolecules on desktop platforms. To tackle the dimension of the matrices that are involved in these problems, we formulate out-of-core (OOC) variants of the two selected eigensolvers, that basically decouple the performance of the solver from the storage capacity. Furthermore, we contend with the high computational complexity of the solvers by off-loading the arithmetically-intensive parts of the algorithms to a hardware graphics accelerator

Semiclassical coherent state propagator for systems with spin

We derive the semiclassical limit of the coherent state propagator for systems with two degrees of freedom of which one degree of freedom is canonical and the other a spin. Systems in this category include those involving spin-orbit interactions and the Jaynes-Cummings model in which a single electromagnetic mode interacts with many independent two-level atoms. We construct a path integral representation for the propagator of such systems and derive its semiclassical limit. As special cases we consider separable systems, the limit of very large spins and the case of spin 1/2.Comment: 19 pages, no figure

Plan de negocios para una empresa Fintech de financiamiento para Mypes en Lima Metropolitana

Desarrollar una fintech que otorgue cr?ditos a Mypes para capital de trabajo en Lima Metropolitana por medio de herramientas tecnol?gicas de alto nivel. El servicio y propuesta de valor que ofrece Credichamba se sostiene en tres principales atributos. Tasa de inter?s atractiva: Mejores tasas que bancos, financieras y cajas. La tasa de cr?dito ofrecida es altamente competitiva, soportada por una estructura menos costosa que los competidores y la cual se ajusta a las necesidades de las Mypes. Rapidez: Ya que la velocidad en las transacciones, es uno de los atributos m?s valorados por las Mypes, se han desarrollado procesos simplificados de scoring, lo cual permitir? una evaluaci?n menos engorrosa en un plazo no mayor a 24 horas. Plataforma Digital: La empresa contar? con una plataforma de solicitud de cr?ditos muy amigable y con procesos simples, lo cual facilitar? la experiencia de los clientes. Usar? algoritmos propios de scoring digital. La viabilidad del proyecto y su propuesta de valor ha sido aceptada por el p?blico objetivo. Con una TIR estimada de 22%, con un periodo de recuperaci?n de 3 a?os, es una propuesta atractiva para inversionistas que busquen rentabilidad en el mediano plazo

Neonatal Gram Negative and Candida Sepsis Survival and Neurodevelopmental Outcome at the Corrected Age of 24 Months

Objectives: To evaluate the long term neurodevelopmental outcome of premature infants exposed to either gram- negative sepsis (GNS) or neonatal Candida sepsis (NCS), and to compare their outcome with premature infants without sepsis. Methods: Historical cohort study in a population of infants born at <30 weeks gestation and admitted to the Neonatal Intensive Care Unit (NICU) of the Academic Medical Center in Amsterdam during the period 1997-2007. Outcome of infants exposed to GNS or NCS and 120 randomly chosen uncomplicated controls (UC) from the same NICU were compared. Clinical data during hospitalization and neurodevelopmental outcome data (clinical neurological status; Bayley -test results and vision/hearing test results) at the corrected age of 24 months were collected. An association model with sepsis as the central determinant of either good or adverse outcome (death or severe developmental delay) was made, corrected for confounders using multiple logistic regression analysis. Results: Of 1362 patients, 55 suffered from GNS and 29 suffered from NCS; cumulative incidence 4.2% and 2.2%, respectively. During the follow-up period the mortality rate was 34% for both GNS and NCS and 5% for UC. The adjusted Odds Ratio (OR) [95% CI] for adverse outcome in the GNS group compared to the NCS group was 1.4 [0.4-4.9]. The adjusted ORs [95% CI] for adverse outcome in the GNS and NCS groups compared to the UC group were 4.8 [1.5-15.9] and 3.2 [0.7-14.7], respectively. Conclusions: We found no statistically significant difference in outcome at the corrected age of 24 months between neonatal GNS and NCS cases. Suffering from either gram -negative or Candida sepsis increased the odds for adverse outcome compared with an uncomplicated neonatal period

Radio emission from Supernova Remnants

The explosion of a supernova releases almost instantaneously about 10^51 ergs of mechanic energy, changing irreversibly the physical and chemical properties of large regions in the galaxies. The stellar ejecta, the nebula resulting from the powerful shock waves, and sometimes a compact stellar remnant, constitute a supernova remnant (SNR). They can radiate their energy across the whole electromagnetic spectrum, but the great majority are radio sources. Almost 70 years after the first detection of radio emission coming from a SNR, great progress has been achieved in the comprehension of their physical characteristics and evolution. We review the present knowledge of different aspects of radio remnants, focusing on sources of the Milky Way and the Magellanic Clouds, where the SNRs can be spatially resolved. We present a brief overview of theoretical background, analyze morphology and polarization properties, and review and critical discuss different methods applied to determine the radio spectrum and distances. The consequences of the interaction between the SNR shocks and the surrounding medium are examined, including the question of whether SNRs can trigger the formation of new stars. Cases of multispectral comparison are presented. A section is devoted to reviewing recent results of radio SNRs in the Magellanic Clouds, with particular emphasis on the radio properties of SN 1987A, an ideal laboratory to investigate dynamical evolution of an SNR in near real time. The review concludes with a summary of issues on radio SNRs that deserve further study, and analyzing the prospects for future research with the latest generation radio telescopes.Comment: Revised version. 48 pages, 15 figure

Structural and Spectroscopic Analysis of the Kinase Inhibitor Bosutinib and an Isomer of Bosutinib Binding to the Abl Tyrosine Kinase Domain

Chronic myeloid leukemia (CML) is caused by the kinase activity of the BCR-Abl fusion protein. The Abl inhibitors imatinib, nilotinib and dasatinib are currently used to treat CML, but resistance to these inhibitors is a significant clinical problem. The kinase inhibitor bosutinib has shown efficacy in clinical trials for imatinib-resistant CML, but its binding mode is unknown. We present the 2.4 Å structure of bosutinib bound to the kinase domain of Abl, which explains the inhibitor's activity against several imatinib-resistant mutants, and reveals that similar inhibitors that lack a nitrile moiety could be effective against the common T315I mutant. We also report that two distinct chemical compounds are currently being sold under the name “bosutinib”, and report spectroscopic and structural characterizations of both. We show that the fluorescence properties of these compounds allow inhibitor binding to be measured quantitatively, and that the infrared absorption of the nitrile group reveals a different electrostatic environment in the conserved ATP-binding sites of Abl and Src kinases. Exploiting such differences could lead to inhibitors with improved selectivity

Effective Rheology of Bubbles Moving in a Capillary Tube

We calculate the average volumetric flux versus pressure drop of bubbles moving in a single capillary tube with varying diameter, finding a square-root relation from mapping the flow equations onto that of a driven overdamped pendulum. The calculation is based on a derivation of the equation of motion of a bubble train from considering the capillary forces and the entropy production associated with the viscous flow. We also calculate the configurational probability of the positions of the bubbles.Comment: 4 pages, 1 figur

Two new species of Odontostilbe historically hidden under O. microcephala (Characiformes: Cheirodontinae)

Specimens historically identified as Odontostilbe microcephala from the upper rio Paraná and Andean piedmont tributaries of the río Paraguay are reviewed and split in three species. We found that the distribution of O. microcephala is restricted to the Andean slope of the río Paraguay basin. The species is distinguished from congeners with subterminal mouth by the elongate body, usually 10-12 gill rakers on upper branch and smaller horizontal orbital diameter (24.6-32.8 % HL, mean 28.7%). Specimens from upper rio Paraná constitute two new species, diagnosed from other Cheirodontinae by the presence of mesopterygoid teeth, grouped on median portion and forming a continuous row. The new species are distinguished from each other by having premaxillary teeth with five cusps vs. nine cusps and by the number of lamellae in left and right sides of central median raphe of olfactory rosette with 20-21 vs. 11-12.Espécimes historicamente identificados com Odontostilbe microcephala do rio Paraná e tributários do río Paraguay, foram revisados e separados em três espécies. A distribuição de O. microcephala é restrita ao sopé andino da bacia do río Paraguay. A espécie é distinta das congêneres com boca subterminal pela forma alongada, geralmente 10-12 rastros branquiais no ramo superior e menor diâmetro horizontal da órbita (24,6-32,8 % CC, média 28,7%). Espécimes do alto rio Paraná constituem duas espécies novas diagnosticadas de outros Cheirodontinae pela presença de dentes no mesopterigoide, agrupados em sua porção média e formando uma fileira continua. As novas espécies distinguem-se por ter dentes premaxilares com cinco cúspides vs. nove cúspides e pelo número de lamelas nos lados esquerdo e direito da rafe central da roseta olfativa com 20-21 vs. 11-12