Adaptive Mesh Refinement for Fast Convergence of EFIE-Based 3-D Extraction

3-D full-wave method of moments (MoM) based electromagnetic analysis is a popular means toward accurate solution of Maxwell's equations. The time and memory bottlenecks associated with such a solution have been addressed over the last two decades by linear complexity fast solver algorithms. However, the accurate solution of 3-D full-wave MoM on an arbitrary mesh of a package-board structure does not guarantee accuracy, since the discretization may not be fine enough to capture spatial changes in the solution variable. At the same time, uniform over-meshing on the entire structure generates a large number of solution variables and therefore requires an unnecessarily large matrix solution. In this paper, different refinement criteria are studied in an adaptive mesh refinement platform. Consequently, the most suitable conductor mesh refinement criterion for MoM-based electromagnetic package-board extraction is identified and the advantages of this adaptive strategy are demonstrated from both accuracy and speed perspectives. The results are also compared with those of the recently reported integral equation-based h-refinement strategy. Finally, a new methodology to expedite each adaptive refinement pass is proposed.

Solid state structure of p-bromo phenyl 4,5,7-tri-O-benzyl-beta-D-glycero-D-talo-septanoside and an analysis of non-covalent interactions

The solid state structure of a new seven-membered sugar oxepane derivative, namely, p-bromo phenyl 4,5,7-tri-O-benzyl-beta-D-glycero-D-talo-septanoside is discussed, as determined through single crystal X-ray structural determination and in relation to their conformational features. The molecule adopts twist-chair as the preferred conformation, with conformational descriptor (TC2,3)-T-0,1. The solid state packing of molecules is governed by a rich network of non-covalent bonding originating from O-H center dot center dot center dot O, C-H center dot center dot center dot pi, C-H center dot center dot center dot Br and aromatic pi center dot center dot center dot pi interactions that stabilize the packing of molecules in the crystal. (C) 2015 Elsevier Ltd. All rights reserved.

Timing Recovery Algorithms and Architectures for 2-D Magnetic Recording Systems

We investigate the problem of timing recovery for 2-D magnetic recording (TDMR) channels. We develop a timing error model for TDMR channel considering the phase and frequency offsets with noise. We propose a 2-D data-aided phase-locked loop (PLL) architecture for tracking variations in the position and movement of the read head in the down-track and cross-track directions and analyze the convergence of the algorithm under non-separable timing errors. We further develop a 2-D interpolation-based timing recovery scheme that works in conjunction with the 2-D PLL. We quantify the efficiency of our proposed algorithms by simulations over a 2-D magnetic recording channel with timing errors.

Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications

17 independent crystal structures of family I uracil-DNA glycosylase from Mycobacterium tuberculosis (MtUng) and its complexes with uracil and its derivatives, distributed among five distinct crystal forms, have been determined. Thermodynamic parameters of binding in the complexes have been measured using isothermal titration calorimetry. The two-domain protein exhibits open and closed conformations, suggesting that the closure of the domain on DNA binding involves conformational selection. Segmental mobility in the enzyme molecule is confined to a 32-residue stretch which plays a major role in DNA binding. Uracil and its derivatives can bind to the protein in two possible orientations. Only one of them is possible when there is a bulky substituent at the 50 position. The crystal structures of the complexes provide a reasonable rationale for the observed thermodynamic parameters. In addition to providing fresh insights into the structure, plasticity and interactions of the protein molecule, the results of the present investigation provide a platform for structure-based inhibitor design.

Contrasting Electronic Requirements for C-H Binding and C-H Activation in d(6) Half-Sandwich Complexes of Rhenium and Tungsten

A computational study of the interaction half-sandwich metal fragments (metal=Re/W, electron count=d(6)), containing linear nitrosyl (NO+), carbon monoxide (CO), trifluorophosphine (PF3), N-heterocyclic carbene (NHC) ligands with alkanes are conducted using density functional theory employing the hybrid meta-GGA functional (M06). Electron deficiency on the metal increases with the ligand in the order NHC < CO < PF3 < NO+. Electron-withdrawing ligands like NO+ lead to more stable alkane complexes than NHC, a strong electron donor. Energy decomposition analysis shows that stabilization is due to orbital interaction involving charge transfer from the alkane to the metal. Reactivity and dynamics of the alkane fragment are facilitated by electron donors on the metal. These results match most of the experimental results known for CO and PF3 complexes. The study suggests activation of alkane in metal complexes to be facile with strong donor ligands like NHC. (C) 2015 Wiley Periodicals, Inc.

An Unbiased Risk Estimator for Multiplicative Noise - Application to 1-D Signal Denoising

The effect of multiplicative noise on a signal when compared with that of additive noise is very large. In this paper, we address the problem of suppressing multiplicative noise in one-dimensional signals. To deal with signals that are corrupted with multiplicative noise, we propose a denoising algorithm based on minimization of an unbiased estimator (MURE) of meansquare error (MSE). We derive an expression for an unbiased estimate of the MSE. The proposed denoising is carried out in wavelet domain (soft thresholding) by considering time-domain MURE. The parameters of thresholding function are obtained by minimizing the unbiased estimator MURE. We show that the parameters for optimal MURE are very close to the optimal parameters considering the oracle MSE. Experiments show that the SNR improvement for the proposed denoising algorithm is competitive with a state-of-the-art method.

Cadmium Sulfide Nanocrystal Sensitized Vertically Aligned Titanium Dioxide Rods for Large Area Image Sensors on 3-D Substrates

We discuss here a semiconductors assembly comprising of titanium dioxide (TiO2) rods sensitized by cadmium sulfide (CdS) nanocrystals for potential applications in large area electronics on three dimensional (3-D) substrates. Vertically aligned TiO2 rods are grown on a substrate using a 150 degrees C process flow and then sensitized with CdS by SILAR method at room temperature. This structure forms an effective photoconductor as the photo-generated electrons are rapidly removed from the CdS via the TiO2 thereby permitting a hole rich CdS. Current-voltage characteristics are measured and models illustrate space charge limited photo-current as the mechanism of charge transport at moderate voltage bias. The stable assembly and high speed are achieved. The frequency response with a loading of 10 pF and 9 M Omega shows a half power frequency of 100 Hz. (C) 2015 The Electrochemical Society. All rights reserved.

Study of H/D exchange rates to derive the strength of intramolecular hydrogen bonds in halo substituted organic building blocks: An NMR spectroscopic investigation

Rates of hydrogen/deuterium (H/D) exchange determined by H-1 NMR spectroscopy are utilized to derive the strength of hydrogen bonds and to monitor the electronic effects in the site-specific halogen substituted benzamides and anilines. The theoretical fitting of the time dependent variation of the integral areas of H-1 NMR resonances to the first order decay function permitted the determination of HID exchange rate constants (k) and their precise half-lives (t(1/2)) with high degree of reproducibility. The comparative study also permitted the unambiguous determination of relative strength of hydrogen bonds and the contribution from electronic effects on the HID exchange rate. (C) 2015 Elsevier B.V. All rights reserved.

Learning-Based Fast Iterative Convergence of 3-D MoM via Eigen-AGMRES Method

Three-dimensional (3-D) full-wave electromagnetic simulation using method of moments (MoM) under the framework of fast solver algorithms like fast multipole method (FMM) is often bottlenecked by the speed of convergence of the Krylov-subspace-based iterative process. This is primarily because the electric field integral equation (EFIE) matrix, even with cutting-edge preconditioning techniques, often exhibits bad spectral properties arising from frequency or geometry-based ill-conditioning, which render iterative solvers slow to converge or stagnate occasionally. In this communication, a novel technique to expedite the convergence of MoMmatrix solution at a specific frequency is proposed, by extracting and applying Eigen-vectors from a previously solved neighboring frequency in an augmented generalized minimum residual (AGMRES) iterative framework. This technique can be applied in unison with any preconditioner. Numerical results demonstrate up to 40% speed-up in convergence using the proposed Eigen-AGMRES method.

A comparative phase 1 clinical trial to identify anti-infective mechanisms of vitamin D in people with HIV infection

Objectives:To determine if there is a biological mechanism that explains the association between HIV disease progression and increased mortality with low circulating vitamin D levels; specifically, to determine if restoring vitamin D levels induced T-cell functional changes important for antiviral immunity.Design:This was a pilot, open-label, three-arm prospective phase 1 study.Methods:We recruited 28 patients with low plasma vitamin D (<50nmol/l 25-hydroxyvitamin D3), comprising 17 HIV+ patients (11 on HAART, six treatment-naive) and 11 healthy controls, who received a single dose of 200000IU oral cholecalciferol. Advanced T-cell flow cytometry methods measured CD4(+) T-cell function associated with viral control in blood samples at baseline and 1-month after vitamin D supplementation.Results:One month of vitamin D supplementation restored plasma levels to sufficiency (>75nmol/l) in 27 of 28 patients, with no safety issues. The most striking change was in HIV+ HAART+ patients, where increased frequencies of antigen-specific T cells expressing macrophage inflammatory protein (MIP)-1 - an important anti-HIV blocking chemokine - were observed, with a concomitant increase in plasma MIP-1, both of which correlated significantly with vitamin D levels. In addition, plasma cathelicidin - a vitamin D response gene with broad antimicrobial activity - was enhanced.Conclusion:Vitamin D supplementation modulates disease-relevant T-cell functions in HIV-infected patients, and may represent a useful adjunct to HAART therapy. Copyright (C) 2015 Wolters Kluwer Health, Inc. All rights reserved.

三峡永久船闸高边坡开挖三维离散元数值模拟:3-D Simulation of the Excavation of High Steep Slope of Three-Gorges Permanent Lock by Distinct Element Method

采用面一面接触的三维离散元刚性块体模型,从实测节理面中取出其中的三组,按照其倾向、倾角和节理间距将三峡永久船闸未开挖的区域划分为10~5个离散单元,通过施加力边界条件,给出了与实测初始地应力场接近的数值模拟结果；然后,分4步模拟了永久船闸的开挖过程。计算结果表明：开挖过程会引起节理面出现张开趋势,个别岩体还会沿着节理面滑移。岩体位移的不对称现象较为自然地说明了由节理引起的岩体各向异性特征。

Perturbational Finite Volume Method For The Solution of 2-D Navier-Stokes Equations on Unstructured and Structured Colocated Meshes

Based on the first-order upwind and second-order central type of finite volume( UFV and CFV) scheme, upwind and central type of perturbation finite volume ( UPFV and CPFV) schemes of the Navier-Stokes equations were developed. In PFV method, the mass fluxes of across the cell faces of the control volume (CV) were expanded into power series of the grid spacing and the coefficients of the power series were determined by means of the conservation equation itself. The UPFV and CPFV scheme respectively uses the same nodes and expressions as those of the normal first-order upwind and second-order central scheme, which is apt to programming. The results of numerical experiments about the flow in a lid-driven cavity and the problem of transport of a scalar quantity in a known velocity field show that compared to the first-order UFV and second-order CFV schemes, upwind PFV scheme is higher accuracy and resolution, especially better robustness. The numerical computation to flow in a lid-driven cavity shows that the under-relaxation factor can be arbitrarily selected ranging from 0.3 to 0. 8 and convergence perform excellent with Reynolds number variation from 102 to 104.

Influencia de rotación de cultivos y métodos de control sobre la dinámica de las malezas y el crecimiento, desarrollo y rendimiento del sorgo (Sorghum bicolor (L) Moench) var. D-55)

En la Estación Experimental de Las Mercedes municipio de Managua, se inició en la época de postrera en 1991, un experimento de rotación de cultivos bajo diferentes niveles de control de malezas. El presente trabajo evaluó el efecto de los cultivos antecesores sorgo, maíz y pepino con tres niveles de control de malezas : químico, período crítico y limpias periódicas a la dinámica de la cenosis de malezas, crecimiento y rendimiento del cultivo sucesor sorgo. Cuando antecedió el pepino la abundancia de maleza fue mayor con 504 Ind/m2 reduciéndose considerablemente a la cosecha obteniendo una biomasa promedio de 133.9 gr/m2. Sucedió lo contrario con maíz como cultivo antecesor ya que al principio la abundancia fue de 201 Ind/m2 y se obtuvo la mayor biomasa con 259.8 gr/m2 y para sorgo-sorgo tuvo valores de 232 Ind/m2 y a la cosecha en menor valor en biomasa de sorgo 130.0 gr/m2. En el rendimiento se enmarcó una tendencia a favor de maíz como cultivo antecesor con 1878 Kg/ha de sorgo, mientras sorgo-sorgo obtuvo un rendimiento de 1839 Kg/ha comparándose con pepino como antecesor con 1832 Kg/ha de sorgo. Comparando los controles aquí hubo diferencias significativas y en mayor valor le correspondió al control químico con 2048.0 Kg/ha, control período crítico con 1786 Kg/ha y el menor valor le correspondió a limpia periódica con sólo 1715 Kg/ha. En el control período crítico presentó mayor abundancia la maleza al inicio con 444 Ind/m2, teniendo una reducción hasta 62 Ind/m2 en la cosecha. El control químico tuvo un comportamiento similar que el control período crítico con 295 Ind/m2, reduciendo al final del ciclo con 135 Ind/m2. El control limpias periódicas tuvo al inicio la menor abundancia con 200 Ind/m2, reduciendo a la cosecha a 3 Ind/m2.

Efecto de tres cultivos antecesores sobre la cenosis de malezas y el crecimiento, desarrollo y rendimiento del cultivo de sorgo (Sorghum bicolor (L) Moench.) cv. D-55, en la Hacienda Las Mercedes

El presente Vallejo experimental se realizó a partir del 18 de Agosto de 1989, d��a en que se realizó la siembra de postrera en la hacienda "Las Mercedes”, evaluándose la rotación de cultivos y diferentes métodos de control de malezas en el cultivo de sorgo. Dicho experimento culminó el 2 de Diciembre del mismo año. Se utilizó el diseño de Bloques Completos al Azar en parcelas divididas, siendo el factor A: el cultivo antecesor; sorgo, maiz y pepinillo; y el factor los métodos de control de malezas; Atrazina (en pre-emergencia a dosis de 1.5 kg/ha), Limpia mecánica en periodo crítico (5ta y 6ta hoja) y limpia periódica cada 15 d��as con azadon. Los resultados demuestran que tanto en los cultivos antecesores al sorgo como en los diferentes métodos de control se presentó el Cypenis rotundus como presdominante, seguido por las Poáceas, en donde sobresale la Rottboellia cochichinensis , observándose más individuos cuando anteced��a el sorgo y en la aplicación de Atrazina. Esto permitió una mayor acumulación de biomasa de malezas al momento de la cosecha en ambos casos (monocultivo sorgo y método de control con atrazina). En las variables de crecimiento, desarrolla y rendimiento del sorgo los cultivos antecesores presentaron diferencias significativas en: El diámetro del tallo, longitud de panoja y peso de mil semillas. Referente al efecto de los diferentes métodos de control de malezas sobre dichos caracteres en el cultivo de sorgo hubo diferencias significativas en la longitud de panoja, peso seco de paje y en el rendimiento. Siendo la rotación maíz - sorgo la que presentó los mejores resultados en las diferentes variables evaluadas. El método de control de malezas que mejor comportamiento tuvo fue la limpia en periodo crítico principalmente en las variables como el rendimiento que obtuvo 2,822.19 kg/he y peso de mil semillas de 14.53 gramos. Es importante señalar el alto rendimiento que se obtuvo con la rotación antes mencionada, lo cual es de 3,190.49 kg/ha, sin embargo no presentaron diferencias significativas.

Caracterización y evaluación preliminar del Teocinte anual (Zea lexurians D.) recolectado en la zona norte de Chinandega, Nicaragua

Este trabajo trata sobre la caracterización y evaluación preliminar del posible ancestro del maíz, el teocintle anual (Zea luxurians Durie), el cual fue recolectado en la región Nor-occidental de Nicaragua (Villanueva, Chinandega). El experimento se llevó a efecto en el área experimental del Programa Recursos Genéticos Nicaragüenses (REGEN), adscrito a la Universidad Nacional Agraria (UNA), ubicado en el Km 12 1/2 carretera Norte. Dicha investigación se realizó en el periodo comprendido de Enero a Octubre de 1995. los meses de Enero y Febrero no fueron evaluados debido al fuerte acame de las plantas, y el mes de Octubre no se evaluó debido al deficiente crecimiento y desarrollo. El diseño empleado fue un bifactorial en parcelas divididas con dos bloques. En las parcelas grandes se ubicaron los tratamientos épocas de siembra (meses), y en las parcelas pequeñas se realizó el control de malezas (con maleza y sin maleza en todo el ciclo de la planta. Se utilizaron 45 descriptores, de los cuales cuantitativos y 11 son cualitativos. Según el realizado se observó diferencia significativa 34 son ANDEVA en los caracteres cuantitativos, a excepción de los caracteres de grano. Las mayores alturas de plantas se obtuvieron en las primeras fechas de siembra, sobrepasando los 3m de altura y en cuanto al rendimiento los mayores promedios se presentaron bajo el tratamiento sin maleza. Esta especie responde al fotoperiodo, ya que la floración se produjo entre los meses de Noviembre y Diciembre para los meses de Enero hasta Septiembre y la época de siembra del mes de Octubre se registró entre Diciembre y Enero. De los resultados obtenidos se elaboró un catálogo (valores máximos,medios, mínimos, desviación estándar y coeficiente de variación para los descriptores cuantitativos) para los diferentes tratamientos.Debido a la importancia que esta especie representa se debe tomar en cuenta la caracterización In situ y declarar zona protegida el área de origen por riesgos de erosión genética.