Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities

Crystal structures of polymorphs and solvatomorphs of the potential anxiolytic drug fenobam exhibit an exclusive preference for one of the two possible tautomeric structures. A novel methodology based on nonlinear optical response has been successfully employed to detect the presence of a polymorphic impurity in a mixture of polymorphs.

Review of trend detection methods and their application to detect temperature changes in India

Present study performs the spatial and temporal trend analysis of annual, monthly and seasonal maximum and minimum temperatures (t(max), t(min)) in India. Recent trends in annual, monthly, winter, pre-monsoon, monsoon and post-monsoon extreme temperatures (t(max), t(min)) have been analyzed for three time slots viz. 1901-2003,1948-2003 and 1970-2003. For this purpose, time series of extreme temperatures of India as a whole and seven homogeneous regions, viz. Western Himalaya (WH), Northwest (NW), Northeast (NE), North Central (NC), East coast (EC), West coast (WC) and Interior Peninsula (IP) are considered. Rigorous trend detection analysis has been exercised using variety of non-parametric methods which consider the effect of serial correlation during analysis. During the last three decades minimum temperature trend is present in All India as well as in all temperature homogeneous regions of India either at annual or at any seasonal level (winter, pre-monsoon, monsoon, post-monsoon). Results agree with the earlier observation that the trend in minimum temperature is significant in the last three decades over India (Kothawale et al., 2010). Sequential MK test reveals that most of the trend both in maximum and minimum temperature began after 1970 either in annual or seasonal levels. (C) 2012 Elsevier B.V. All rights reserved.

Simulation of potential and electric field across faulty ceramic disc insulator string

Ceramic/Porcelain insulators are widely used in power transmission lines to provide mechanical support for High voltage conductors in addition to withstand electrical stresses. As a result of lightning, switching or temporary over voltages that could initiate flashover under worst weather conditions, and to operate within interference limits. Given that the useful life in service of the individual insulator elements making up the insulator strings is hard to predict, they must be verified periodically to ensure that adequate line reliability is maintained at all times. Over the years utilities have adopted few methods to detect defective discs in a string, subsequently replacement of the faulty discs are being carried out for smooth operation. But, if the insulator is found to be defective in a string at some location that may not create any changes in the field configuration, there is no need to replace to avoid manpower and cost of replacement. Due to deficiency of electric field data for the existing string configuration, utilities are forced to replace the discs which may not be essentially required. Hence, effort is made in the present work to simulate the potential and electric field along the normal and with faults induced discs in a string up to 765 kV system voltages using Surface Charge Simulation Method (SCSM). A comparison is made between simulated results, experimental and field data and it was found that the computed results are quite acceptable and useful.

Depth: a web server to compute depth, cavity sizes, detect potential small-molecule ligand-binding cavities and predict the pK(a) of ionizable residues in proteins

Residue depth accurately measures burial and parameterizes local protein environment. Depth is the distance of any atom/residue to the closest bulk water. We consider the non-bulk waters to occupy cavities, whose volumes are determined using a Voronoi procedure. Our estimation of cavity sizes is statistically superior to estimates made by CASTp and VOIDOO, and on par with McVol over a data set of 40 cavities. Our calculated cavity volumes correlated best with the experimentally determined destabilization of 34 mutants from five proteins. Some of the cavities identified are capable of binding small molecule ligands. In this study, we have enhanced our depth-based predictions of binding sites by including evolutionary information. We have demonstrated that on a database (LigASite) of similar to 200 proteins, we perform on par with ConCavity and better than MetaPocket 2.0. Our predictions, while less sensitive, are more specific and precise. Finally, we use depth (and other features) to predict pK(a)s of GLU, ASP, LYS and HIS residues. Our results produce an average error of just <1 pH unit over 60 predictions. Our simple empirical method is statistically on par with two and superior to three other methods while inferior to only one. The DEPTH server (http://mspc.bii.a-star.edu.sg/depth/) is an ideal tool for rapid yet accurate structural analyses of protein structures.

Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis

We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the face-centered cubic (FCC) metals Al, Cu, and Ni, through determination of the temperature-dependent free energies of intrinsic and unstable stacking faults along 1 (1) over bar 0] and 1 (2) over bar 1] on the (1 1 1) plane using first-principles density-functional-theory-based calculations. We show that vibrational contribution results in significant decrease in the free energy of barriers and intrinsic stacking faults (ISFs) of Al, Cu, and Ni with temperature, confirming an important role of thermal fluctuations in the stability of stacking faults (SFs) and deformation at elevated temperatures. In contrast to Al and Ni, the vibrational spectrum of the unstable stacking fault (USF1 (2) over bar 1]) in Cu reveals structural instabilities, indicating that the energy barrier (gamma(usf)) along the (1 1 1)1 (2) over bar 1] slip system in Cu, determined by typical first-principles calculations, is an overestimate, and its commonly used interpretation as the energy release rate needed for dislocation nucleation, as proposed by Rice (1992 J. Mech. Phys. Solids 40 239), should be taken with caution.

Protection of Digital Telecom Exchanges Against Lightning Surges and Earth Faults

Low-power electronic devices used in digital telecom exchanges are vulnerable to surge voltages and currents primarily originating from natural lightning or due to the direct interactions between electric power and telecommunication lines, etc., causing the earth/ground potential rise, neutral potential rise, and faults in the system. The fault currents may flow directly to telecom lines or through the equipment to the customer's premises, causing adequate damage to the equipment and personnel safety. In wireline applications, analog or digital, central office, exchanges, and subscriber sides have to be protected. Decisive protection and protective methods have to be employed for proper functioning of the equipment under overvoltage/overcurrent conditions. Current investigation reports some interesting results obtained on the recently developed high-voltage high-current protection cards used in digital telecom exchanges. The performances of protection cards both for the ring wave and hybrid wave surges are evaluated and presented. The surge generators required for the investigation are developed and fabricated in house as per the relevant telecom standards.

Using Remote Sensing and Spatial Information Technologies to Detect and Map Two Aquatic Macrophytes

This paper describes the light reflectance characteristics ofwaterhyacinth [Eichhornia crassipes (Mort.) Solms] and hydrilla [Hydrilla verticillata (L.F.) Royle] and the application of airborned videography with global positioning system (GPS) and geographic information system (GIS) technologies for distinguishing and mapping the distribution of these two aquatic weeds in waterways of southern Texas. Field reflectance measurements made at several locations showed that waterhyacinth generally had higher near-infrared (NIR) reflectance than associated plant species and water. Hydrilla had lower NIR reflectance than associated plant species and higher NIR reflectance than water. Reflectance measurements made on hydrilla plants submerged below the water surface had similar spectral characteristics to water. Waterhyacinth and hydrilla could be distinguished in color-infrared (CIR) video imagery where they had bright orange-red and reddish-brown image responses, respectively. Computer analysis of the imagery showed that waterhyacinth and hydrilla infestaions could be quantified. An accuracy assessment performed on the classified image showed an overall accuracy of 87.7%. Integration of the GPS with the video imagery permitted latitude/longitude coordinates of waterhyacinth and hydrilla infestation to be recorded on each image. A portion of the Rio Grande River in extreme southern Texas was flown with the video system to detect waterhyacinth and hydrilla infestaions. The GPS coordinates on the CIR video scenes depicting waterhyacinth and hydrilla infestations were entered into a GIS to map the distribution of these two noxious weeds in the Rio Grande River.

Frictional properties of faults : from observation on the Longitudinal Valley Fault, Taiwan, to dynamic simulations

Faults can slip either aseismically or through episodic seismic ruptures, but we still do not understand the factors which determine the partitioning between these two modes of slip. This challenge can now be addressed thanks to the dense set of geodetic and seismological networks that have been deployed in various areas with active tectonics. The data from such networks, as well as modern remote sensing techniques, indeed allow documenting of the spatial and temporal variability of slip mode and give some insight. This is the approach taken in this study, which is focused on the Longitudinal Valley Fault (LVF) in Eastern Taiwan. This fault is particularly appropriate since the very fast slip rate (about 5 cm/yr) is accommodated by both seismic and aseismic slip. Deformation of anthropogenic features shows that aseismic creep accounts for a significant fraction of fault slip near the surface, but this fault also released energy seismically, since it has produced five M_w>6.8 earthquakes in 1951 and 2003. Moreover, owing to the thrust component of slip, the fault zone is exhumed which allows investigation of deformation mechanisms. In order to put constraint on the factors that control the mode of slip, we apply a multidisciplinary approach that combines modeling of geodetic observations, structural analysis and numerical simulation of the "seismic cycle". Analyzing a dense set of geodetic and seismological data across the Longitudinal Valley, including campaign-mode GPS, continuous GPS (cGPS), leveling, accelerometric, and InSAR data, we document the partitioning between seismic and aseismic slip on the fault. For the time period 1992 to 2011, we found that about 80-90% of slip on the LVF in the 0-26 km seismogenic depth range is actually aseismic. The clay-rich Lichi M\'elange is identified as the key factor promoting creep at shallow depth. Microstructural investigations show that deformation within the fault zone must have resulted from a combination of frictional sliding at grain boundaries, cataclasis and pressure solution creep. Numerical modeling of earthquake sequences have been performed to investigate the possibility of reproducing the results from the kinematic inversion of geodetic and seismological data on the LVF. We first investigate the different modeling strategy that was developed to explore the role and relative importance of different factors on the manner in which slip accumulates on faults. We compare the results of quasi dynamic simulations and fully dynamic ones, and we conclude that ignoring the transient wave-mediated stress transfers would be inappropriate. We therefore carry on fully dynamic simulations and succeed in qualitatively reproducing the wide range of observations for the southern segment of the LVF. We conclude that the spatio-temporal evolution of fault slip on the Longitudinal Valley Fault over 1997-2011 is consistent to first order with prediction from a simple model in which a velocity-weakening patch is embedded in a velocity-strengthening area.

A high-speed image sensing technique with adjustable frame rate based on an ordinary CCD

In the sinusoidal phase modulating interferometer technique, the high-speed CCD is necessary to detect the interference signals. The reason of ordinary CCD's low frame rate was analyzed, and a novel high-speed image sensing technique with adjustable frame rate based on ail ordinary CCD was proposed. And the principle of the image sensor was analyzed. When the maximum frequency and channel bandwidth were constant, a custom high-speed sensor was designed by using the ordinary CCD under the control of the special driving circuit. The frame rate of the ordinary CCD has been enhanced by controlling the number of pixels of every frame; therefore, the ordinary of CCD can be used as the high frame rate image sensor with small amount of pixels. The multi-output high-speed image sensor has the deficiencies of low accuracy, and high cost, while the high-speed image senor with small number of pixels by using this technique can overcome theses faults. The light intensity varying with time was measured by using the image sensor. The frame rate was LIP to 1600 frame per second (f/s), and the size of every frame and the frame rate were adjustable. The correlation coefficient between the measurement result and the standard values were higher than 0.98026, and the relative error was lower than 0.53%. The experimental results show that this sensor is fit to the measurements of sinusoidal phase modulating interferometer technique. (c) 2007 Elsevier GmbH. All rights reserved.

Use of macroinvertebrate communities to detect environmental stress in running waters

This paper presents an account of some current uses of RIVPACS (River Invertebrate Prediction and Classification System), a software package developed by the Institute of Freshwater Ecology (UK). Background information is also given on the unique data-set on which the system is based. Before discussing RIVPACS, we consider the range of environmental stresses encountered in flowing-water systems and some of the ways in which stresses may affect macroinvertebrate communities. The wide application and relevance of the RIVPACS approach was recognised when it was chosen as the biological method for use throughout the UK in the 1990 River Quality Survey (RQS). In the concluding section we list some lessons learnt both from the 1990 survey and from our own testing exercise, and we outline current developments which will lead to a new version of RIVPACS for use in the 1995 RQS.

Detecção e classificação de VTCDs em sistemas de distribuição de energia elétrica usando redes neurais artificiais.

O objetivo deste trabalho é conhecer e compreender melhor os imprevistos no fornecimento de energia elétrica, quando ocorrem as variações de tensão de curta duração (VTCD). O banco de dados necessário para os diagnósticos das faltas foi obtido através de simulações de um modelo de alimentador radial através do software PSCAD/EMTDC. Este trabalho utiliza um Phase-Locked Loop (PLL) com o intuito de detectar VTCDs e realizar a estimativa automática da frequência, do ângulo de fase e da amplitude das tensões e correntes da rede elétrica. Nesta pesquisa, desenvolveram-se duas redes neurais artificiais: uma para identificar e outra para localizar as VTCDs ocorridas no sistema de distribuição de energia elétrica. A técnica aqui proposta aplica-se a alimentadores trifásicos com cargas desequilibradas, que podem possuir ramais laterais trifásicos, bifásicos e monofásicos. No desenvolvimento da mesma, considera-se que há disponibilidade de medições de tensões e correntes no nó inicial do alimentador e também em alguns pontos esparsos ao longo do alimentador de distribuição. Os desempenhos das arquiteturas das redes neurais foram satisfatórios e demonstram a viabilidade das RNAs na obtenção das generalizações que habilitam o sistema para realizar a classificação de curtos-circuitos.