Computer-aided design of a novel ligand for retinoic acid receptor in cancer chemotherapy

The isotypes of RAR and RXR are retinoic acid and retinoid X acid receptors, respectively, whose ligand-binding domain contains the ligand-dependent activation function, with distinct pharmacological targets for retinoids, involved in the treatment of various cancers and skin diseases. Due to the major challenge which cancer treatment and cure still imposes after many decades to the international scientific community, there is actually considerable interest in new ligands with increased bioactivity. We have focused on the retinoid acid receptor, which is considered an interesting target for drug design. In this work, we carried out density functional geometry optimizations, and different docking procedures. We performed screening in a large database (hundreds of thousands of molecules which we optimized at the AM1 level) yielding a set of potential bioactive ligands. A new ligand was selected and optimized at the B3LYP/6-31G* level. A flexible docking program was used to investigate the interactions between the receptor and the new ligand. The result of this work is compared with several crystallographic ligands of RAR. Our theoretically more bioactive new-ligand indicates stronger and more hydrogen bonds as well as hydrophobic interactions with the receptor. (c) 2005 Wiley Periodicals, Inc.

Economic design of (X)over-bar and R charts under Weibull shock models

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

Synthetic control chart for monitoring the pprocess mean and variance

In this article, we consider the synthetic control chart with two-stage sampling (SyTS chart) to control the process mean and variance. During the first stage, one item of the sample is inspected; if its value X, is close to the target value of the process mean, then the sampling is interrupted. Otherwise, the sampling goes on to the second stage, where the remaining items are inspected and the statistic T = Sigma [x(i) - mu(0) + xi sigma(0)](2) is computed taking into account all items of the sample. The design parameter is function of X-1. When the statistic T is larger than a specified value, the sample is classified as nonconforming. According to the synthetic procedure, the signal is based on Conforming Run Length (CRL). The CRL is the number of samples taken from the process since the previous nonconforming sample until the occurrence of the next nonconforming sample. If the CRL is sufficiently small, then a signal is generated. A comparative study shows that the SyTS chart and the joint X and S charts with double sampling are very similar in performance. However, from the practical viewpoint, the SyTS chart is more convenient to administer than the joint charts.

Dressing monitoring with a digital signal processor

Grinding is a finishing process in machining operations, and the topology of the grinding tool is responsible for producing the desired result on the surface of the machined material The tool topology is modeled in the dressing process and precision is therefore extremely important This study presents a solution in the monitoring of the dressing process, using a digital signal processor (DSP) operating in real time to detect the optimal dressing moment To confirm the monitoring efficiency by DSP, the results were compared with those of a data acquisition system (DAQ) and offline processing The method employed here consisted of analyzing the acoustic emission and electrical power signal by applying the DPO and DPKS parameters The analysis of the results allowed us to conclude that the application of the DPO and DPKS parameters can be substituted by processing of the mean acoustic emission signal, thus reducing the computational effort

Selection of radio transmitter and attachment method for post-release monitoring of captive-bred reintroduced Red-billed Curassow Crax blumenbachii, Brazil

Long-term monitoring of reintroduced individuals is a central component of many endangered species reintroduction programs. Radio-telemetry techniques are rarely used to monitor reintroduced captive-bred Cracids and few data exist regarding possible adverse effects of radio-tagging Cracids. In this study, we identify an appropriate radio transmitter design and develop a suitable attachment method that minimizes anthropogenic influence and enables long-term, post-release monitoring (2-3 years) of reintroduced captive-bred Red-billed Curassows in the Brazilian Atlantic Rainforest. We also review studies about the effects of different VHF radio transmitter models on survival, reproduction, behavior, and physiology of Galliformes.

Joint control charts for monitoring location and dispersion

The T-2 and the generalized variance vertical bar S vertical bar charts are used for monitoring the mean vector and the covariance matrix of multivariate processes. In this article, we propose for bivariate processes the use of the T-2 and the VMAX charts. The points plotted on the VMAX chart correspond to the maximum of the sample variances of the two quality characteristics. The reason to consider the VMAX statistic instead of the generalized variance vertical bar S vertical bar is the user's familiarity with the computation of simple sample variances; we can't say the same with regard to the computation of the generalized variance vertical bar S vertical bar.

Monitoring the covariance matrix with the VMAX chart

In this article, we propose a new statistic to control the covariance matrix of bivariate processes. This new statistic is based on the sample vat-lances of the two quality characteristics, shortly VMAX statistic. The points plotted on the chart correspond to the maximum of the values of these two variances. The reasons to consider the VMAX statistic instead of the generalized variance vertical bar S vertical bar are faster detection of process changes and better diagnostic feature, that is, with the VMAX statistic It is easier to identify the out-of-control variable.

Optimizing the design of preactivated titanium T-loop springs with Loop software

ATMA (Ormco Corp, Glendora, Calif) T-loop spring (TTLS), preactivated with a gable bend distal to the loop, holds promise for producing controlled tipping of the canines and translation of the posterior segment. However, there is currently no consensus as to where the preactivated gable bend or the loop should be placed, what the height of the loop should be, or how the interbracket distance changes the moments produced. Using the Loop software program (dHal, Athens, Greece), we systematically modified a .017 x .025-in TTLS (10 x 6 mm) that was preactivated with a 45 degrees gable bend distal to the loop, and simulated the effects. As the gable bend was moved posteriorly, the moment increased at the posterior bracket more than it decreased at the anterior bracket. As the loop was brought closer to the anterior bracket, the posterior moment decreased at the same rate that it increased anteriorly. As the loop was increased in size, the moments increased both posteriorly and anteriorly. As the interbracket distance increased, the posterior moment decreased, and the anterior moment remained constant. We concluded that the size of the loop should be slightly increased, to 10 x 7 mm, and it should be placed 2 mm from the anterior bracket, with a preactivation bend of 45 degrees, 4 to 5 mm from the posterior bracket (after 4 mm of activation).

Application of a model updating technique for health condition monitoring and damage detection of flexible structures

This paper discusses the application of a damage detection methodology to monitor the location and extent of partial structural damage. The methodology combines, in an iterative way, the model updating technique based on frequency response functions (FRF) with monitoring data aiming at identifying the damage area of the structure. After the updating procedure reaches a good correlation between the models, it compares the parameters of the damage structure with those of the undamaged one to find the deteriorated area. The influence of the FEM mesh size on the evaluation of the extent of the damage has also been discussed. The methodology is applied using real experimental data from a spatial frame structure.

Standardization of bioassays for monitoring resistance to insecticides in Aedes aegypti

Since the reintroduction of Aedes aegypti in Brazil in the 1980s, insecticide use for its control is routine. The chemical control efficacy is threatened by vectors developing resistance to insecticides. The World Health Organization, recognizing the impact of insecticide resistance in vector control programmes, proposed standardizing bioassays for detecting and monitoring resistance using a diagnostic dose method. As Brazil has a national programme for monitoring the resistance of Ae. aegypti populations to insecticides, this study was designed to compare diagnostic bioassays at WHO suggested concentrations and those estimated for local conditions. Populations were resistant to both temephos doses. But important differences were seen for fenitrothion and malathion, which could lead to under- or over-estimation of resistance respectively. These results and inclusion of a diagnostic dose bioassay standard for larvae are discussed.

GIS_EM (Geographic information system for environmental monitoring) - A software implemented at Paulínia refinery (REPLAN) for management of environmental data

The computational program called GIS_EM (Geographic Information System for Environmental Monitoring), a software devised to manage geographic information for monitoring soil, surface, and ground water, developed for use in the Health, Safety, and Environment Division of Paulinia Refinery is presented. This program enables registering and management of alphanumeric information pertaining to specific themes such as drilling performed for sample collection and for installation of monitoring wells, geophysical and other tests, results of chemical analyses of soil, surface, and groundwater, as well as reference values providing orientation for soil and water quality, such as EPA, Dutch List, etc. Management of such themes is performed by means of alphanumeric search tools, with specific filters and, in the case of spatial search, through the selection of spatial elements (themes) in map view. Documents existing in digital form, such as reports, photos, maps, may be registered and managed in the network environment. As the system centralizes information generated upon environmental investigations, it expedites access to and search of documents produced and stored in the network environment, minimizing search time and the need to file printed documents. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 10/30/2005-11/4/2005).

A synthetic control chart for monitoring the process mean and variance

Purpose - The aim of this paper is to present a synthetic chart based on the non-central chi-square statistic that is operationally simpler and more effective than the joint X̄ and R chart in detecting assignable cause(s). This chart will assist in identifying which (mean or variance) changed due to the occurrence of the assignable causes. Design/methodology/approach - The approach used is based on the non-central chi-square statistic and the steady-state average run length (ARL) of the developed chart is evaluated using a Markov chain model. Findings - The proposed chart always detects process disturbances faster than the joint X̄ and R charts. The developed chart can monitor the process instead of looking at two charts separately. Originality/value - The most important advantage of using the proposed chart is that practitioners can monitor the process by looking at only one chart instead of looking at two charts separately. © Emerald Group Publishing Limted.

Automatic system for thermal damage detection in manufacturing process with Internet monitoring

This work involved the development of a smart system dedicated to surface burning detection in the grinding process through constant monitoring of the process by acoustic emission and electrical power signals. A program in Visual Basic® for Windows® was developed, which collects the signals through an analog-digital converter and further processes them using burning detection algorithms already known. Three other parameters are proposed here and a comparative study carried out. When burning occurs, the newly developed software program sends a control signal warning the operator or interrupting the process, and delivers process information via the Internet. Parallel to this, the user can also interfere in the process via Internet, changing parameters and/or monitoring the grinding process. The findings of a comparative study of the various parameters are also discussed here. Copyright © 2006 by ABCM.

Good practices in monitoring and reporting on the Millennium Development Goals: National lessons from Latin America

Includes bibliography

Advances in sickle cell disease treatment: From drug discovery until the patient monitoring

Sickle Cell Disease (SCD) is one of the most prevalent hematological diseases in the world. Despite the immense progress in molecular knowledge about SCD in last years few therapeutical sources are currently available. Nowadays the treatment is performed mainly with drugs such as hydroxyurea or other fetal hemoglobin inducers and chelating agents. This review summarizes current knowledge about the treatment and the advancements in drug design in order to discover more effective and safe drugs. Patient monitoring methods in SCD are also discussed. © 2011 Bentham Science Publishers Ltd.