Search results for "Quantitative"
showing 10 items of 2409 documents
Atom- and Bond-Based 2D TOMOCOMD-CARDD Approach and Ligand-Based Virtual Screening for the Drug Discovery of New Tyrosinase Inhibitors
2008
Two-dimensional atom- and bond-based TOMOCOMD-CARDD descriptors and linear discriminant analysis (LDA) are used in this report to perform a quantitative structure-activity relationship (QSAR) study of tyrosinase-inhibitory activity. A database of inhibitors of the enzyme is collected for this study, within 246 highly dissimilar molecules presenting antityrosinase activity. In total, 7 discriminant functions are obtained by using the whole set of atom- and bond-based 2D indices. All the LDA-based QSAR models show accuracies above 90% in the training set and values of the Matthews correlation coefficient (C) varying from 0.85 to 0.90. The external validation set shows globally good classifica…
Las representaciones del saber académico: Aportaciones desde la Geografía Escolar
2019
When we talk with basic education´s teachers there is an impression in the case of learning Social Sciences, and Geography in particular that these sciences are not useful for the explanation of socio-environmental and daily problems. In this research, improvement proposals are sought so that students are motivated to learn about these problems. Based on two case studies such as flood risks (and their relationship with climate change) and the problems of the rural areas, the possibilities of combining motivation for learning close to personal emotions and with their own rigor have been explored of the conceptual explanation. To validate these results, quantitative and qualitative research t…
On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures
2007
International audience; With an increasing number of biomacromolecular crystal structures being measured to ultra-high resolution, it has become possible to extend to large systems experimental charge-density methods that are usually applied to small molecules. A library has been built of average multipole populations describing the electron density of chemical groups in all 20 amino acids found in proteins. The library uses the Hansen & Coppens multipolar pseudo-atom model to derive molecular electron density and electrostatic potential distributions. The library values are obtained from several small peptide or amino acid crystal structures refined against ultra-high-resolution X-ray diff…
Domain shapes and monolayer structures of triple-chain phospholipids on water
1994
Two triple-chain phospholipid isomers were investigated at the air-water interface by means of fluorescence microscopy and grazing incidence X-ray diffraction (GID). The two lipids differ only in the position of the branched chain at the glycerol backbone. Fluorescence microscopy shows different domain sharp-edged domains. In the case of dendritic domains the chains are more tilted, the deviation from hexagonal symmetry is more pronounced and hence the lattice anisotropy is larger.
Cytotoxicity of cardiotonic steroids in sensitive and multidrug-resistant leukemia cells and the link with Na(+)/K(+)-ATPase.
2015
Cardiotonic steroids have long been in clinical use for treatment of heart failure and are now emerging as promising agents in various diseases, especially cancer. Their main target is Na(+)/K(+)-ATPase, a membrane protein involved in cellular ion homeostasis. Na(+)/K(+)-ATPase has been implicated in cancer biology by affecting several cellular events and signaling pathways in both sensitive and drug-resistant cancer cells. Hence, we investigated the cytotoxic activities of 66 cardiotonic steroids and cardiotonic steroid derivatives in sensitive CCRF-CEM and multidrug-resistant CEM/ADR5000 leukemia cells. Data were then subjected to quantitative structure-activity relationship analysis (QSA…
Banach spaces which are somewhat uniformly noncreasy
2003
AbstractWe consider a family of spaces wider than r-UNC spaces and we give some fixed point results in the setting of these spaces.
The Asynchronous Leontief Model
1992
International audience; The traditional dynamic Leontief model is synchronous: every vertex acts simultaneously. A model with delays of action has been proposed, but it still remains synchronous. In this paper we propose an asynchronous version of the model that allows realistic computations. We fiurnish an algorithm and a program.
Finitely randomized dyadic systems and BMO on metric measure spaces
2015
Abstract We study the connection between BMO and dyadic BMO in metric measure spaces using finitely randomized dyadic systems, and give a Garnett–Jones type proof for a theorem of Uchiyama on a construction of certain BMO functions. We obtain a relation between the BMO norm of a suitable expectation over dyadic systems and the dyadic BMO norms of the original functions in different systems. The expectation is taken over only finitely randomized dyadic systems to overcome certain measurability questions. Applying our result, we derive Uchiyama’s theorem from its dyadic counterpart, which we also prove.
A non-linear version of Hunt-Lion's theorem from the point of view of T-accretivity
1992
In the classical topological context, Dellacherie [10] has given a non-linear version of Hunt's theorem characterizing the proper kernels verifying the complete maximum principle as those closing a submarkovian resolvent. In this paper we study the relation between this non-linear version of Hunt's theorem and T-accretivity.
Analysis of properties of recombination operators proposed for the node-depth encoding
2011
The node-depth encoding is a representation for evolutionary algorithms applied to tree problems. Its represents trees by storing the nodes and their depth in a proper ordered list. The original formulation of the node-depth encoding has only mutation operators as the search mechanism. Although it is computationally efficient, the exclusive use of mutation restricts the exploration of the search space and the algorithm convergence. Then, this work proposes two specific recombination operators to improve the convergence of the algorithm using the node-depth encoding representation. These operators are based on recombination operators for permutation representations. Analysis of the proposed …