Using Correlated Parameters for Improved Ranking of Protein-Protein Docking Decoys

A successful protein-protein docking study culminates in identification of decoys at top ranks with near-native quaternary structures. However, this task remains enigmatic because no generalized scoring functions exist that effectively infer decoys according to the similarity to near-native quaternary structures. Difficulties arise because of the highly irregular nature of the protein surface and the significant variation of the nonbonding and solvation energies based on the chemical composition of the protein-protein interface. In this work, we describe a novel method combining an interface-size filter, a regression model for geometric compatibility (based on two correlated surface and packing parameters), and normalized interaction energy (calculated from correlated nonbonded and solvation energies), to effectively rank decoys from a set of 10,000 decoys. Tests on 30 unbound binary protein-protein complexes show that in 16 cases we can identify at least one decoy in top three ranks having <= 10 angstrom backbone root mean square deviation from true binding geometry. Comparisons with other state-of-art methods confirm the improved ranking power of our method without the use of any experiment-guided restraints, evolutionary information, statistical propensities, or modified interaction energy equations. Tests on 118 less-difficult bound binary protein-protein complexes with <= 35% sequence redundancy at the interface showed that in 77% cases, at least 1 in 10,000 decoys were identified with <= 5 angstrom backbone root mean square deviation from true geometry at first rank. The work will promote the use of new concepts where correlations among parameters provide more robust scoring models. It will facilitate studies involving molecular interactions, including modeling of large macromolecular assemblies and protein structure prediction. (C) 2010 Wiley Periodicals, Inc. J Comput Chem 32: 787-796, 2011.

Generation of extended light-sheets for single and multi-photon fluorescence microscopy

We theoretically propose and computationally demonstrate the generation of extended light-sheet for fluorescence microscopy. This is made possible by the introduction of a specially designed double-window spatial filter that allows the light to pass through the periphery and center of a cylindrical lens. When illuminated with a plane wave, the proposed filter results in an extended depth-of-focus along with side-lobes which are due to other interferences in the transverse focal plane. Computational studies show a maximum extension of light-sheet by 3.38 times for single photon excitation and 3.68 times for multiphoton excitation as compared to state-of-art single plane illumination microscopy system. This technique may facilitate the study of large biological specimens (such as Zebrafish embryo and tissue) with high spatial resolution and reduced photobleaching. (C) 2013 AIP Publishing LLC.

ELLIPSE FITTING USING FINITE RATE OF INNOVATION PRINCIPLES

We address the problem of parameter estimation of an ellipse from a limited number of samples. We develop a new approach for solving the ellipse fitting problem by showing that the x and y coordinate functions of an ellipse are finite-rate-of-innovation (FRI) signals. Uniform samples of x and y coordinate functions of the ellipse are modeled as a sum of weighted complex exponentials, for which we propose an efficient annihilating filter technique to estimate the ellipse parameters from the samples. The FRI framework allows for estimating the ellipse parameters reliably from partial or incomplete measurements even in the presence of noise. The efficiency and robustness of the proposed method is compared with state-of-art direct method. The experimental results show that the estimated parameters have lesser bias compared with the direct method and the estimation error is reduced by 5-10 dB relative to the direct method.

Energy retrofits in social housing. Analysis of its thermal behaviour.

468 p.

A posse do art. 1276 do CC como forma de aquisição da propriedade imóvel

De inegável relevância na vida humana, a posse se configura como um dos temas mais controvertidos no âmbito do Direito Civil. Em todos os seus contornos e características, incluindo sua natureza jurídica, terminologia, efeitos e classificações, observamos um debate acirrado e polêmico a seu respeito, o que demonstra o firme interesse dos estudiosos sobre a possessio através dos séculos. Ademais, compete ao aplicador do Direito compreender o fenômeno possessório a partir das premissas e valores constitucionais fundamentais, em especial o princípio da dignidade da pessoa humana, levando em consideração as mutações sociais e a realidade dos fatos, para que seja possível extrair do ordenamento caminhos efetivos à concretização de uma sociedade justa e solidária, a fim de erradicar a pobreza e diminuir as desigualdades sociais. Neste contexto, de forma prospectiva e adequando os conceitos civilistas à Carta da República, defendemos a aplicação do artigo 1276 do Código Civil também em benefício do ocupante qualificado de imóvel abandonado, de modo a consolidar o domínio em seu favor no mesmo triênio conferido à Administração Pública, garantindo-se então aos menos favorecidos o legítimo acesso à moradia e ao trabalho. Na medida em que o ser humano se constitui no foco de atenção, preocupação e proteção do ordenamento jurídico acreditamos que as exegeses normativas devem concretizar o disposto no artigo 1, inciso III, da Constituição da República, razão pela qual a posse de outrem exercida ininterruptamente sobre bem abandonado merece funcionar como forma de aquisição originária da propriedade imóvel privada no lapso de tempo estatuído no artigo 1276 do Código Civil.

Simulated superior performance of superjuction bipolar transistors

This paper presents for the first time an investigation and comparison of the superjunction IGBT (SJBT) as proposed in [1,2] and the current state of art Field Stop IGBT [3,4]. Simulation results indicate the superior performance of the superjunction IGBT under switching conditions. For the same conditions, at a collector current density of 100A/cm2 and on-state voltage 1.6 V the switching off losses for a SJBT and Field-Stop IGBT are 1 and 4.5 mJ/cm 2 respectively. © 2006 IEEE.

Effect of ancillary ligands on the properties of heteroleptic green iridium dendrimers functionalized with carbazole dendrons

A series of heteroleptic green iridium dendrimers functionalized with carbazole dendrons, such as G2(pic) and G2(acac), have been synthesized, in which picolinic acid and acetylacetone are used as the ancillary ligands, respectively. Compared with the corresponding homoleptic iridium dendrimer G2 (8%), these heteroleptic ones can be prepared under mild conditions with total yields as high as 55-67%. Both the dendrimer G2(pic) and G2(acac) display bright green emissions with photoluminescence quantum yields higher than 0.80 in toluene solution. As a result, a maximum external quantum efficiency of 7.1% (21.0 cd/A) for G2(pic) and 7.7% (25.8 cd/A) for G2(acac) has been realized based on non-doped device configuration. The state-of-art performance indicates that the heteroleptic dendrimers can be promising candidates used for non-doped electrophosphorescent devices, especially when the ease of synthesis in a large scale is considered.

用改进的ART-2网络建立移动机器人环境模型的研究

本文应用自适应共振理论中ART-2神经网络进行移动机器人环境障碍模式识别。ART-2神经网络在处理单方向渐变的模式输入时具有模式漂移的特点，机器人在静态环境中运动依赖这种特点，但在动态环境中模式漂移的特点却会对机器人的安全造成威胁。为此，设计了一种改进的ART-2神经网络，使得移动机器人同时适应在静态和动态环境中安全运动。

Hugh Blaker: Doing his Bit for the Moderns

Meyrick, Robert, 'Hugh Blaker: Doing his Bit for the Moderns', Journal of the History of Collections (2004) 16(2):173-189 RAE2008

Gwilym Prichard: A Retrospective

To accompany exhibition curated by Robert Meyrick, 'Gwilym Prichard', National Library of Wales; Oriel Theatr Clwyd; Oriel Plas Glyn-y-Weddw; Graham Sutherland Gallery, Picton Castle. pp.103

The Impact of AIDS on Government Service Delivery: The Case of the Zambia Wildlife Authority

Background: The loss of working-aged adults to HIV/AIDS has been shown to increase the costs of labor to the private sector in Africa. There is little corresponding evidence for the public sector. This study evaluated the impact of AIDS on the capacity of a government agency, the Zambia Wildlife Authority (ZAWA), to patrol Zambia’s national parks. Methods: Data were collected from ZAWA on workforce characteristics, recent mortality, costs, and the number of days spent on patrol between 2003 and 2005 by a sample of 76 current patrol officers (reference subjects) and 11 patrol officers who died of AIDS or suspected AIDS (index subjects). An estimate was made of the impact of AIDS on service delivery capacity and labor costs and the potential net benefits of providing treatment. Results: Reference subjects spent an average of 197.4 days on patrol per year. After adjusting for age, years of service, and worksite, index subjects spent 62.8 days on patrol in their last year of service (68% decrease, p<0.0001), 96.8 days on patrol in their second to last year of service (51% decrease, p<0.0001), and 123.7 days on patrol in their third to last year of service (37% decrease, p<0.0001). For each employee who died, ZAWA lost an additional 111 person-days for management, funeral attendance, vacancy, and recruitment and training of a replacement, resulting in a total productivity loss per death of 2.0 person-years. Each AIDS-related death also imposed budgetary costs for care, benefits, recruitment, and training equivalent to 3.3 years’ annual compensation. In 2005, AIDS reduced service delivery capacity by 6.2% and increased labor costs by 9.7%. If antiretroviral therapy could be provided for $500/patient/year, net savings to ZAWA would approach $285,000/year. Conclusion: AIDS is constraining ZAWA’s ability to protect Zambia’s wildlife and parks. Impacts on this government agency are substantially larger than have been observed in the private sector. Provision of ART would result in net budgetary savings to ZAWA and greatly increase its service delivery capacity.

Non-clinical outcomes of antiretroviral therapy for HIV/AIDS in developing countries: a systematic literature review

The impacts of antiretroviral therapy on quality of life, mental health, labor productivity, and economic wellbeing for people living with HIV/AIDS in developing countries are only beginning to be measured. We conducted a systematic literature review to analyze the effect of antiretroviral therapy (ART) on these non-clinical indicators in developing countries and assess the state of research on these topics. Both qualitative and quantitative studies were included, as were peer-reviewed articles, gray literature, and conference abstracts and presentations. Findings are reported from 12 full-length articles, 7 abstracts, and 1 presentation (representing 16 studies). Compared to HIV-positive patients not yet on treatment, patients on ART reported significant improvements in physical, emotional and mental health and daily function. Work performance improved and absenteeism decreased, with the most dramatic changes occurring in the first three months of treatment and then leveling off. Little research has been done on the impact of ART on household wellbeing, with modest changes in child and family wellbeing within households where adults are receiving ART reported so far. Studies from developing countries have not yet assessed non-clinical outcomes of therapy beyond the first year; therefore, longitudinal outcomes are still unknown. As ART roll out extends throughout high HIV prevalence, low-resource countries and is sustained over years and decades, both positive and adverse non-clinical outcomes need to be empirically measured and qualitatively explored in order to support patient adherence and maximize treatment benefits.