Search results for "identification"

Extended Horizon Adaptive Model Algorithmic Control

1997

Abstract A new, original, robust adaptive control strategy termed Extended Horizon Adaptive Model Algorithmic Control is presented. In EHAMAC, a new, combined, ’single-loop’/’cascade’ adaptive least-squares parameter estimator is coupled with a new, simple but powerful Extended Horizon Model Algorithmic Control so that open-loop stable non-minimum phase systems can be effectively controlled in the time-varying environment. In the new, cascade structure of the ALS estimator, the covariance windup and blowup are totally eliminated. Moreover, the sacramental square-root update of the covariance matrix is no longer needed On the other hand, employing EHMAC facilitates robustness design so that …

Adaptive estimation of Laguerre models with time-varying delay

2000

Abstract An Orthonormal Basis Functions (OBF) approach is effectively used in adaptive parameter estimation of linear(ized) open-loop stable, possibly nonminimum phase plants with time-varying delay. In particular, discrete Laguerre models are considered in detail. A special attention is paid to the numerical conditioning issue in case of ’poor’ excitation of a plant under control, where OBF models are of particular value. Closed-loop predictive control simulations confirm the usefulness of adaptive OBF modelling, especially for systems with time-varying delays.

Estimation of the mean crystal size and the moments of the crystal size distribution in batch crystallization processes

2016

International audience; A cascade high gain observer is designed to estimate the first four leading moments of the crystal size distribution (CSD) and the mean crystal size in batch crystallization processes. The proposed observer is based on a well-known transformation of the partial differential equation describing the CSD to a set of ordinary differential equations (the method of moments). Due to numerical difficulties resulting from the important differences in the magnitudes of the moments, a set of new variables is computed to allow a good estimation of the moments and thus the mean crystal size. In this work, only solute concentration and crystallizer temperature are used to estimate…

Alzheimer: A Decade of Drug Design. Why Molecular Topology can be an Extra Edge?

2017

Background The last decade was characterized by a growing awareness about the severity of dementia in the field of age-related and no age-related diseases and about the importance to invest resources in the research of new, effective treatments. Among the dementias, Alzheimer's plays a substantial role because of its extremely high incidence and fatality. Several pharmacological strategies have been tried but still now, Alzheimer keeps being an untreatable disease. In literature, the number of QSAR related drug design attempts about new treatments for Alzheimer is huge, but only few results can be considered noteworthy. Providing a detailed analysis of the actual situation and reporting the…

Computational Identification of Chemical Compounds with Potential Activity against Leishmania amazonensis using Nonlinear Machine Learning Techniques.

2019

Leishmaniasis is a poverty-related disease endemic in 98 countries worldwide, with morbidity and mortality increasing daily. All currently used first-line and second-line drugs for the treatment of leishmaniasis exhibit several drawbacks including toxicity, high costs and route of administration. Consequently, the development of new treatments for leishmaniasis is a priority in the field of neglected tropical diseases. The aim of this work is to develop computational models those allow the identification of new chemical compounds with potential anti-leishmanial activity. A data set of 116 organic chemicals, assayed against promastigotes of Leishmania amazonensis, is used to develop the the…

Proteome response of Tribolium castaneum larvae to Bacillus thuringiensis toxin producing strains.

2012

Susceptibility of Tribolium castaneum (Tc) larvae was determined against spore-crystal mixtures of five coleopteran specific and one lepidopteran specific Bacillus thuringiensis Cry toxin producing strains and those containing the structurally unrelated Cry3Ba and Cry23Aa/Cry37Aa proteins were found toxic (LC(50) values 13.53 and 6.30 µg spore-crystal mixture/µL flour disc, respectively). Using iTRAQ combined with LC-MS/MS allowed the discovery of seven novel differentially expressed proteins in early response of Tc larvae to the two active spore-crystal mixtures. Proteins showing a statistically significant change in treated larvae compared to non-intoxicated larvae fell into two major cat…

Identification of potential inhibitors targeting BRAF-V600E mutant melanoma cells.

2020

Identification of New Templates for the Synthesis of BEA, BEC, and ISV Zeolites Using Molecular Topology and Monte Carlo Techniques

2020

The presence of organic structure directing agents (templates) in the synthesis of zeolites allows the synthesis to be directed, in many cases, toward structures in which there is a large stabilization between the template and the zeolite micropore due to dispersion interactions. Although other factors are also important (temperature, pH, Si/Al ratio, etc.), systems with strong zeolite-template interactions are good candidates for an application of new computational algorithms, for instance those based in molecular topology (MT), that can be used in combination with large databases of organic molecules. Computational design of new templates allows the synthesis of existing and new zeolites …

Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon

2021

18 páginas, 7 figuras, 2 tablas

Enthalpy/entropy compensation effects from cavity desolvation underpin broad ligand binding selectivity for rat odorant binding protein 3

2014

Evolution has produced proteins with exquisite ligand binding specificity, and manipulating this effect has been the basis for much of modern rational drug design. However, there are general classes of proteins with broader ligand selectivity linked to function, the origin of which is poorly understood. The odorant binding proteins (OBPs) sequester volatile molecules for transportation to the olfactory receptors. Rat OBP3, which we characterize by X-ray crystallography and NMR, binds a homologous series of aliphatic gamma-lactones within its aromatic-rich hydrophobic pocket with remarkably little variation in affinity but extensive enthalpy/entropy compensation effects. We show that the bin…