Intramolecular hydrogen bond: Can it be part of the basis set of valence internal coordinates in normal mode analysis?

It has been shown earlier1] that the relaxed force constants (RFCs) could be used as a measure of bond strength only when the bonds form a part of the complete valence internal coordinates (VIC) basis. However, if the bond is not a part of the complete VIC basis, its RFC is not necessarily a measure of bond strength. Sometimes, it is possible to have a complete VIC basis that does not contain the intramolecular hydrogen bond (IMHB) as part of the basis. This means the RFC of IMHB is not necessarily a measure of bond strength. However, we know that IMHB is a weak bond and hence its RFC has to be a measure of bond strength. We resolve this problem of IMHB not being part of the complete basis by postulating `equivalent' basis sets where IMHB is part of the basis at least in one of the equivalent sets of VIC. As long as a given IMHB appears in one of the equivalent complete VIC basis sets, its RFC could be used as a measure of bond strength parameter.

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.

Vaporization of heated materials into discharge plasmas

The vaporization of condensed materials in contact with high-current discharge plasmas is considered. A kinetic numerical method named direct simulation Monte Carlo (DSMC) and analytical kinetic approaches based on the bimodal distribution function approximation are employed. The solution of the kinetic layer problem depends upon the velocity at the outer boundary of the kinetic layer which varies from very small, corresponding to the high-density plasma near the evaporated surface, up to the sound speed, corresponding to evaporation into vacuum. The heavy particles density and temperature at the kinetic and hydrodynamic layer interface were obtained by the analytical method while DSMC calculation makes it possible to obtain the evolution of the particle distribution function within the kinetic layer and the layer thickness.

PL 203/91 e apensos - Política Nacional de Resíduos : resumo

Consultoria Legislativa - Área XI - Meio Ambiente e Direito Ambiental, Organização Territorial e Desenvolvimento Urbano e Regional.

气-液两相流界面迁移现象的数值模拟研究

借助于Level Set函数,建立了气-液两相的统一控制方程组,并在交错网格中进行离散.用两种格式,即Superbee-TVD格式和5阶WENO格式求解Level Set函数的输运方程,用SIMPLER算法的思想对主流场控制方程的求解方法进行改进.数值实验结果表明,在求解Level Set的控制方程时,5阶WENO方法比Superbee-TVD格式的结果更准确;用改进的数值算法可成功实现对密度比大于1 000/1的气-液两相流界面迁移问题的数值模拟.对几种典型大密度比气-液两相流问题的计算结果与实际问题的物理规律完全一致,验证了该方法的有效性和可靠性.

Mantenimiento en el laboratorio del pez cebra

El pez cebra (Danio rerio) se utiliza como organismo modelo en distintos campos como la biomedicina o la toxicogenómica. Las ventajas que ofrece frente a otros modelos animales, hace que se haya convertido en los últimos años en uno de los organismos modelo más utilizado en experimentación. La similitud de su desarrollo embrionario con el de otros vertebrados superiores o la semejanza de su genoma con la del ser humano lo han colocado en el punto de mira de las principales investigaciones. Pero disponer de ejemplares óptimos tanto de embriones como de adultos para su utilización en investigación, requiere de unos cuidados y de una atención adecuada. Para su mantenimiento se deberán tener en cuenta el tipo de instalaciones para su cría, la calidad del agua donde se encuentran, la alimentación que reciben o los procesos de reproducción utilizados. El objetivo de este estudio ha sido elaborar un protocolo de mantenimiento del pez cebra, que optimice los cuidados necesarios para que el número de embriones viables sea máximo y también poder mantener un número de ejemplares adultos en buenas condiciones.

El genio de un solo ojo, I: en la mitología griega, Polifemo

En este trabajo se estudia la figura de Polifemo, el hijo de Poseidón y la ninfa Toosa, como ejemplo de las sucesivas reinterpretaciones que la mitología griega hacía de temas populares que resultaban de su interés: se analizan e interpretan los episodios de su historia y las características del personaje en la primitiva versión homérica y sus sucesivas reelaboraciones, de época clásica (Eurípides) y de época postclásica en obras griegas (Filóxeno de Citera, Teócrito y Mosco) y latinas (Virgilio y Ovidio).

El genio de un solo ojo, II: en la mitología vasca, Tártaro

En la mitología vasca existen numerosas narraciones cuyo protagonista presenta rasgos de similitud con el Polifemo de la mitología griega. En este trabajo se recopilan y analizan las diferentes populares o legendarias en que aparece bajo descripciones o denominaciones diversas: pastor (gigante) antropófago anónimo, begibakarra (“ojo único), gentil, sorgina (“bruja”), basajaun, Tártalo, Tártaro, Ojanco, Torto, Alarabi, Cíclope, y se relacionan con el modelo literario del Cíclope griego.

Sensitivity improvement by UV-light recording in LiNbO3 : Ce : Cu crystals

Modulated UV light is used to increase the sensitivity of the two-centre holographic recording. Inherent mechanisms of nonvolatile holographic recording in oxidized and reduced crystals are numerically analysed based on solving the two-centre material equations modilied for UV-Iight recording. Experiments verification is performed with an oxidized crystal and a reduced crystal, and the role of UV intensity on the sensitivity is presented.

局域体全息光栅衍射的平面波与柱面波的波前转换研究

利用一维耦合波理论研究了入射方向相互垂直的一束平面波与一束柱面波干涉形成光折变局域体全息光栅的波前转换情况。给出了透射波和衍射波振幅的解析表达式。讨论了该局域体全息光栅的几何尺寸以及全息透镜的焦距对光栅衍射效率的影响。结果表明，随着光栅横向尺寸的增加，光栅的衍射效率也逐渐增加。然而，光栅的衍射效率却随着光栅纵向尺寸的增加而减小。全息透镜的焦距越长，光栅的衍射效率也越大。此外，分析了光栅的布拉格选择特性，该光栅具有非常好的角度选择特性。在平面波与柱面波干涉形成全息透镜的设计中，为了获得最优的衍射效率，应当根

模块化蓝光光存储性能静态测试系统

蓝光光存储是信息存储领域发展的一个重要方向。测试系统是研究蓝光光存储材料的必备条件，为建立蓝光光存储研究平台，设计和搭建了一套模块化蓝光光存储性能静态测试系统。激光工作波长为406．7nm。系统采用调制解调技术降低系统噪声，提高测量粘度：采用光点移动模式降低对样品尺寸的要求；采用纳米平台提高记录点的反复定位性能。实验结果证明测试系统性能良好，可以满足蓝光光存储性能静态测试要求。

射频磁控溅射法制备TiO2-xNX薄膜的结构性能研究

利用射频磁控溅射法室温下在Si（100）衬底上制备了N掺杂的TiO2薄膜，并且采用x射线衍射（XRD）、X射线光电子能谱（XPS）和透射光谱对薄膜进行了表征。XRD结果表明在纯Ar和N2（33．3％）／Ar气氛下制备的TiO2-xNx薄膜均为单一的金红石相，薄膜结晶性良好，呈高度（211）择优取向，而在N2（50．0％）／Ar下制备的薄膜结晶性明显变差；对于N掺杂的TiO2薄膜，XPS表明部分N原子进入TiO2晶格，并且以N—Ti—O、N—O键以及间隙式N原子形式存在；透射光谱表明掺N后的TiO2薄膜吸收边发生了红移。