Heteroaryl substituted titanocenes as potential anti-cancer drugs

From the reaction of Super Hydride (LiBEt3H) with 6-(furyl)fulvene (1a), 6-(thiophenyl)fulvene (1b) or 6-(N-methyl-pyrrole)fulvene (1c) the corresponding lithium cyclopentadienide intermediates (2a-c) were obtained. These intermediates were reacted with titanium tetrachloride and bis-[(furyl-2-cyclopentadienylmethane)] titanium(IV) dichloride (3a) and bis-[(thiophenyl-2-cyclopentadienylmethane)] titanium(IV) dichloride (3b) and bis-[(N-methylpyrrole-2-cyclopentadienylmethane)] titanium(IV) dichloride (3c) were obtained and subsequently characterised by X-ray crystallography. When titanocenes 3a-c were tested against pig kidney (LLC-PK) cells inhibitory concentrations (IC50) of 1.6 x 10(-4) M, 1.5 x 10(-4) M and 9.1 x 10(-5) M, respectively, were observed. These values represent improved cytotoxicity against LLC-PK, when compared to their corresponding ansa substituted analogues and also in comparison to unsubstituted titanocene dichloride. (c) 2006 Elsevier Inc. All rights reserved.

Diameter of parallelogramic honeycomb torus

The determination of the diameter of an interconnection network is essential in evaluating the performance of the network. Parallelogramic honeycomb torus is an attractive alternative to classical torus network due to smaller vertex degree, and hence, lower implementation cost. In this paper, we present the expression for the diameter of a parallelogramic, honeycomb torus, which extends a known result about rhombic: honeycomb torus. (c) 2005 Elsevier Ltd. All rights reserved.

A new interpretation of the bonding properties and UV–vis spectra of [M3(CO)12] clusters (M = Ru, Os): a TD-DFT study

DFT and TD-DFT calculations (ADF program) were performed in order to analyze the electronic structure of the [M-3(CO)(12)] clusters (M = Ru, Os) and interpret their electronic spectra. The highest occupied molecular orbitals are M-M bonding (sigma) involving different M-M bonds, both for Ru and Os. They participate in low-energy excitation processes and their depopulation should weaken M-M bonds in general. While the LUMO is M-NI and M-CO anti-bonding (sigma*), the next, higher-lying empty orbitals have a main contribution from CO (pi*) and either a small (Ru) or an almost negligible one (Os) from the metal atoms. The main difference between the two clusters comes from the different nature of these low-energy unoccupied orbitals that have a larger metal contribution in the case of ruthenium. The photochemical reactivity of the two clusters is reexamined and compared to earlier interpretations.

The British Lower Palaeolithic of the early Middle Pleistocene

The archaeology of Britain during the early Middle Pleistocene (MIS 19–12) is represented by a number of key sites across eastern and southern England. These sites include Pakefield, Happisburgh 1, High Lodge, Warren Hill, Waverley Wood, Boxgrove, Kent's Cavern, and Westbury-sub-Mendip, alongside a ‘background scatter’ lithic record associated with the principal river systems (Bytham, pre-diversion Thames, and Solent) and raised beaches (Westbourne–Arundel). Hominin behaviour can be characterised in terms of: preferences for temperate or cool temperate climates and open/woodland mosaic habitats (indicated by mammalian fauna, mollusca, insects, and sediments); a biface-dominated material culture characterised by technological diversity, although with accompanying evidence for distinctive core and flake (Pakefield) and flake tool (High Lodge) assemblages; probable direct hunting-based subsistence strategies (with a focus upon large mammal fauna); and generally locally-focused spatial and landscape behaviours (principally indicated by raw material sources data), although with some evidence of dynamic, mobile and structured technological systems. The British data continues to support a ‘modified short chronology’ to the north of the Alps and the Pyrenees, with highly sporadic evidence for a hominin presence prior to 500–600 ka, although the ages of key assemblages are subject to ongoing debates regarding the chronology of the Bytham river terraces and the early Middle Pleistocene glaciations of East Anglia.

The impact of stratospheric ozone recovery on the Southern Hemisphere westerly jet

In the past several decades, the tropospheric westerly winds in the Southern Hemisphere have been observed to accelerate on the poleward side of the surface wind maximum. This has been attributed to the combined anthropogenic effects of increasing greenhouse gases and decreasing stratospheric ozone and is predicted to continue by the Intergovernmental Panel on Climate Change/Fourth Assessment Report (IPCC/AR4) models. In this paper, the predictions of the Chemistry-Climate Model Validation (CCMVal) models are examined: Unlike the AR4 models, the CCMVal models have a fully interactive stratospheric chemistry. Owing to the expected disappearance of the ozone hole in the first half of the 21st century, the CCMVal models predict that the tropospheric westerlies in Southern Hemisphere summer will be decelerated, on the poleward side, in contrast with the prediction of most IPCC/AR4 models.

A coordenação entre os segmentos perna e coxa no andar : uma análise a partir da teoria dos sistemas dinâmicos

Utilizando-se entre a perna e a coxa os princípios da Teoria dos Sistemas Dinâmicos, foi estudada a coordenação intra-membros durante o andar em 16 sujeitos do sexo feminino. Os movimentos da perna e da coxa e suas relações foram analisados dinamicamente como sistemas acoplados de ciclo limite. Os sujeitos foram filmados lateralmente executando o andar em duas situações experimentais: normal e com uma sandália na perna direita na proporção de 5% do comprimento do segmento inferior. Os dados transformados em variáveis cinemáticas possibilitaram a análise da coordenação em termos de ângulos de fase, ponto de coordenação e fase relativa. Através dos dados angulares, foram testadas as propriedades dos osciladores não-lineares de ciclo limite. Os resultados indicaram que os segmentos apresentam uma órbita atrativa específica para cada um deles, que se mantém invariante ao longo das idades. Esta órbita atrativa representa a organização espaço-temporal do segmento durante o andar, servindo também para a visualização da quantidade de energia dissipada por parte de cada segmento. A análise dos ângulos de fase no momento da reversão, do ponto de coordenação e da fase relativa possibilitaram a identificação do treinamento mútuo e da estabilidade estrutural.

Distribuição espacial de Bemisia tabaci (Genn.) biótipo B (Hemiptera: Aleyrodidae) em feijoeiro (Phaseolus vulgaris L.)

O estudo da distribuição espacial de pragas é fundamental para elaboração de planos de amostragem que possam propiciar maior adoção do manejo integrado de pragas. Para Bemisia tabaci (Genn.) biótipo B em feijoeiro Phaseolus vulgaris L., foram conduzidos ensaios de campo em uma área de 10.000 m², dividida em 100 parcelas iguais de 10 x 10 m, nas épocas de semeadura das águas e da seca. As amostragens foram realizadas semanalmente, em 10 plantas por parcela. Coletou-se um folíolo por planta e avaliou-se a presença-ausência de ninfas da mosca-branca na página abaxial. Para adultos, observou-se visualmente a presença-ausência da praga nas plantas. em todas as amostragens obtiveram-se valores menores que a unidade para a relação variância/média, indicando disposição regular da mosca-branca no campo, confirmada pelos valores significativos da estatística ½d½, do teste de afastamento da aleatoriedade, assim como pelos valores inferiores à unidade do índice de Morisita. A distribuição binomial positiva foi o modelo mais adequado para representar a distribuição espacial da B. tabaci biótipo B na cultura do feijão.

Ultrastructure of oocytes of the Urostreptus atrobrunneus (Diplopoda, Spirostreptida, Spirostreptidae): A potential urban centers plague

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Nonsmooth continuous-time optimization problems: Necessary conditions

We consider Lipschitz continuous-time nonlinear optimization problems and provide first-order necessary optimality conditions of both Fritz John and Karush-Kuhn-Tucker types. (C) 2001 Elsevier B.V. Ltd. All rights reserved.

Parmodel: a web server for automated comparative modeling of proteins

Parmodel is a web server for automated comparative modeling and evaluation of protein structures. The aim of this tool is to help inexperienced users to perform modeling, assessment, visualization, and optimization of protein models as well as crystallographers to evaluate structures solved experimentally. It is subdivided in four modules: Parmodel Modeling, Parmodel Assessment, Parmodel Visualization, and Parmodel Optimization. The main module is the Parmodel Modeling that allows the building of several models ford a same protein in a reduced time, through the distribution of modeling processes on a Beowulf cluster. Parmodel automates and integrates the main softwares used in comparative modeling as MODELLER, Whatcheck, Procheck, Raster3D, Molscript, and Gromacs. This web server is freely accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools/parmodel. (C) 2004 Elsevier B.V. All rights reserved.

NEW FIR LASER LINES AND FREQUENCY MEASUREMENTS FROM OPTICALLY PUMPED CD-13(3)OH-3

We report the discovery of 57 new fir laser lines from (CD3OH)-C-13 molecule optically pumped by a waveguide CO2 laser of 300 MHz tunability. For all lines, precise frequency offset measurements between the CO2 line center and the center of the absorbing (CD3OH)-C-13 line were performed using the transferred Lamb-Dip technique. We have also measured directly the frequency of seven FIR laser lines by heterodyning with already known laser lines.We present a complete list of all known laser lines (134) and frequency measurements (24) for this molecule.

Cooperación internacional para el desarrollo rural en el Cono Sur: informe del Seminario Regional

Incluye Bibliografía

Informe final del Seminario Regional de Cuentas Nacionales

Presenta la organizacion de los trabajos y resumen de los debates de la reunion en la cual se analizaron -entre otras- materias relacionadas con las cuentas de produccion, la cuenta de ingresos y gastos de los hogares, la experiencia de los paises de America Latina en flujos y balances financieros y el calculo trimestral del producto, y las cuentas regionales.