Lobby index as a network centrality measure

We study the lobby index (l-index for short) as a local node centrality measure for complex networks. The l-inde is compared with degree (a local measure), betweenness and Eigenvector centralities (two global measures) in the case of biological network (Yeast interaction protein-protein network) and a linguistic network (Moby Thesaurus II). In both networks, the l-index has poor correlation with betweenness but correlates with degree and Eigenvector. Being a local measure, one can take advantage by using the l-index because it carries more information about its neighbors when compared with degree centrality, indeed it requires less time to compute when compared with Eigenvector centrality. Results suggests that l-index produces better results than degree and Eigenvector measures for ranking purposes, becoming suitable as a tool to perform this task.Comment: 11 pages, 4 figures. arXiv admin note: substantial text overlap with arXiv:1005.480

The Relativistic Hopfield network: rigorous results

The relativistic Hopfield model constitutes a generalization of the standard Hopfield model that is derived by the formal analogy between the statistical-mechanic framework embedding neural networks and the Lagrangian mechanics describing a fictitious single-particle motion in the space of the tuneable parameters of the network itself. In this analogy the cost-function of the Hopfield model plays as the standard kinetic-energy term and its related Mattis overlap (naturally bounded by one) plays as the velocity. The Hamiltonian of the relativisitc model, once Taylor-expanded, results in a P-spin series with alternate signs: the attractive contributions enhance the information-storage capabilities of the network, while the repulsive contributions allow for an easier unlearning of spurious states, conferring overall more robustness to the system as a whole. Here we do not deepen the information processing skills of this generalized Hopfield network, rather we focus on its statistical mechanical foundation. In particular, relying on Guerra's interpolation techniques, we prove the existence of the infinite volume limit for the model free-energy and we give its explicit expression in terms of the Mattis overlaps. By extremizing the free energy over the latter we get the generalized self-consistent equations for these overlaps, as well as a picture of criticality that is further corroborated by a fluctuation analysis. These findings are in full agreement with the available previous results.Comment: 11 pages, 1 figur

Evaluation of solid urea fertilizer as a source of nitrogen for wheat

LD2668 .T4 1967 A3Master of Scienc

Structural and chemical basis for anticancer activity of a series ofβ-tubulin ligands: molecular modeling and 3D QSAR studies

An important approach to cancer therapy is the design of small molecule modulators that interfere with microtubule dynamics through their specific binding to the β-subunit of tubulin. In the present work, comparative molecular field analysis (CoMFA) studies were conducted on a series of discodermolide analogs with antimitotic properties. Significant correlation coefficients were obtained (CoMFA(i), q2 =0.68, r2=0.94; CoMFA(ii), q2 = 0.63, r2= 0.91), indicating the good internal and external consistency of the models generated using two independent structural alignment strategies. The models were externally validated employing a test set, and the predicted values were in good agreement with the experimental results. The final QSAR models and the 3D contour maps provided important insights into the chemical and structural basis involved in the molecular recognition process of this family of discodermolide analogs, and should be useful for the design of new specific β-tubulin modulators with potent anticancer activity204693703CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESPSem informaçãoSem informaçãoUma estratégia importante para a terapia do câncer é o planejamento de modulares que interferem na dinâmica dos microtúbulos através de sua ligação específica à subunidade β da tubulina. No presente trabalho, estudos de análise comparativa dos campos moleculares (CoMFA) foram realizados com uma série de análogos do discodermolídeo com ação antimitótica. Resultados significativos foram obtidos (CoMFA(i), q2 =0,68, r2 =0,94; CoMFA(ii), q2 = 0,63, r2 =0,91), indicando a elevada consistência interna e externa dos modelos gerados empregando duas estratégias independentes de alinhamento estrutural. Os modelos foram validados externamente com um conjunto teste e os valores preditos apresentaram boa concordância com os resultados experimentais. Os modelos de QSAR e os mapas de contorno 3D forneceram importantes informações sobre as bases químicas e estruturais envolvidas no processo de reconhecimento molecular dessa família de análogos do discodermolídeo, sendo uma valiosa ferramenta no planejamento de novos moduladores específicos da β-tubulina com potente atividade antitumora

Structural and chemical basis for anticancer activity of a series of²-tubulin ligands: molecular modeling and 3D QSAR studies

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)An important approach to cancer therapy is the design of small molecule modulators that interfere with microtubule dynamics through their specific binding to the ²-subunit of tubulin. In the present work, comparative molecular field analysis (CoMFA) studies were conducted on a series of discodermolide analogs with antimitotic properties. Significant correlation coefficients were obtained (CoMFA(i), q² =0.68, r²=0.94; CoMFA(ii), q² = 0.63, r²= 0.91), indicating the good internal and external consistency of the models generated using two independent structural alignment strategies. The models were externally validated employing a test set, and the predicted values were in good agreement with the experimental results. The final QSAR models and the 3D contour maps provided important insights into the chemical and structural basis involved in the molecular recognition process of this family of discodermolide analogs, and should be useful for the design of new specific ²-tubulin modulators with potent anticancer activity.Uma estratégia importante para a terapia do câncer é o planejamento de modulares que interferem na dinâmica dos microtúbulos através de sua ligação específica à subunidade ² da tubulina. No presente trabalho, estudos de análise comparativa dos campos moleculares (CoMFA) foram realizados com uma série de análogos do discodermolídeo com ação antimitótica. Resultados significativos foram obtidos (CoMFA(i), q² =0,68, r² =0,94; CoMFA(ii), q² = 0,63, r² =0,91), indicando a elevada consistência interna e externa dos modelos gerados empregando duas estratégias independentes de alinhamento estrutural. Os modelos foram validados externamente com um conjunto teste e os valores preditos apresentaram boa concordância com os resultados experimentais. Os modelos de QSAR e os mapas de contorno 3D forneceram importantes informações sobre as bases químicas e estruturais envolvidas no processo de reconhecimento molecular dessa família de análogos do discodermolídeo, sendo uma valiosa ferramenta no planejamento de novos moduladores específicos da ²-tubulina com potente atividade antitumoral.204693703Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)CNPq_BrasilFAPESP_Brasi

About the ergodic regime in the analogical Hopfield neural networks. Moments of the partition function

In this paper we introduce and exploit the real replica approach for a minimal generalization of the Hopfield model, by assuming the learned patterns to be distributed accordingly to a standard unit Gaussian. We consider the high storage case, when the number of patterns is linearly diverging with the number of neurons. We study the infinite volume behavior of the normalized momenta of the partition function. We find a region in the parameter space where the free energy density in the infinite volume limit is self-averaging around its annealed approximation, as well as the entropy and the internal energy density. Moreover, we evaluate the corrections to their extensive counterparts with respect to their annealed expressions. The fluctuations of properly introduced overlaps, which act as order parameters, are also discussed.Comment: 15 page

A large stellar evolution database for population synthesis studies. II. Stellar models and isochrones for an alpha-enhanced metal distribution

[Abridged] We present a large, new set of stellar evolution models and isochrones for an alpha-enhanced metal distribution typical of Galactic halo and bulge stars; it represents a homogeneous extension of our stellar model library for a distribution already presented in Pietrinferni et al.(2004). The effect of the alpha-element enhancement has been properly taken into account in the nuclear network, opacity, equation of state and, for the first time, the bolometric corrections, and color transformations. This allows us to avoid the inconsistent use - common to all alpha-enhanced model libraries currently available - of scaled-solar bolometric corrections and color transformations for alpha-enhanced models and isochrones. We show how bolometric corrections to magnitudes obtained for the U,B portion of stellar spectra for T_{eff}<=6500K, are significantly affected by the metal mixture, especially at the higher metallicities. We also provide complete sets of evolutionary models for low-mass, He-burning stellar structures covering the whole metallicity range, to enable synthetic horizontal branch simulations. We compare our database with several widely used stellar model libraries from different authors, as well as with various observed color magnitude and color-color diagrams (Johnson-Cousins BVI and near infrared magnitudes, Stromgren colors) of Galactic field stars and globular clusters. We also test our isochrones comparing integrated optical colors and Surface Brightness Fluctuation magnitudes with selected globular cluster data. We find a general satisfactory agreement with the empirical constraints.Comment: 46 pages, 20 figures, ApJ in press, the whole database presented in this paper can be foud at http://www.te.astro.it/BASTI/index.ph