Transfer Entropy
Mostrando 13-24 de 41 artigos, teses e dissertações.
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13. Propriedades termo-eletrônicas da molécula do DNA
This thesis presents a comprehensive and up-to-date account of some physical properties of the DNA molecule, such as its thermodynamics (specific heat) and electronic (electronic transmissivity and localization factor, among others) aspects. The DNA molecule can be considered as a symbolic sequence of a four letter alphabet, namely guanine (G), adenine (A),
Publicado em: 2008
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14. Center metallic effect on intermolecular interactions of complexes [M(CN)5NO]x- with poly(ethylene oxide) in aqueous two-phase systems / Efeito do centro metálico nas interações intermoleculares dos complexos [M(CN)5NO]x- com o poli(óxido de etileno) em sistemas aquosos bifásicos
In this thesis has been studied the metallic center influences of pentacianonitrosylmetalates, [M(CN)5NO]x-, on the partition coefficient (K), of these complex anions in aqueous two-phase systems (ATPS). The ATPS were obtained by mixing stock aqueous solutions of an inorganic salt (Li2SO4 or Na2SO4) with a stock solution of poly(ethylene oxide) of average mo
Publicado em: 2007
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15. APPROCHE THERMODYNAMIQUE ET CINETIQUE DE L EXTRACTION A DEUX PHASES AQUEUSES À L AIDE DE TENSIOACTIFS NON IONIQUES / A THERMODYNAMIC AND KINETIC APPROACH OF TWO-AQUEOUS PHASE EXTRACTION WITH NON-IONIC SURFACTANTS
The present work forms a part of the study of a two-aqueous phase extraction process using the occurrence of a cloud point (Tc) in the phase diagrams of water/polyethoxylated nonionic surfactant systems. Its main goals were: modelling and predicting the corresponding cloud point curves, investigating the mechanism controlling the mass transfer between phases
Publicado em: 2004
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16. Inferencia de perfis verticais de temperatura utilizando uma tecnica interativa implicita de inversao / Retrieval of vertical temperature profiles in the atmosphere using an interative implicit inversion technique
In this work, we present an iterative implicit inversion method (MIII) to retrieve vertical temperature profiles based on the mathematical inversion of the radiative transfer equation (RTE). The inverse problem is formulated as a nonlinear constrained optimization problem. A regularization term is added to the objective function with the help of a Lagrange m
Publicado em: 1998
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17. Reações de transferência de acila em microemulsões água/óleo: hidrólise de benzoatos de fenila catalisada pelo ânion o-iodosobenzoato. / Acyl-transfer reactions in water/oil microemulsions: phenyl benzoates hydrolysis catalysed by the o-iodosobenzoate anion.
The mechanism of hydrolysis of the following two series of phenylbenzoate esters catalyzed by 1-oxi-1,2-benziodoxol-3(1H)-one (o-iodosobenzoate anion, IBA-), was studied in water-in-oil microemulsion (W/O mE) of benzylhexadecyl- dimethylammonium chloride (CBzCl) in benzene. 4-nitrophenyl 4-X-benzoates (X= NO2, CN, Cl and H) and Y-nitrophenyl 4-nitrobenzoates
Publicado em: 1997
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18. Temperature dependence of the hydrophobic interaction in protein folding.
Accurate calorimetric data for the thermodynamics of transfer of six liquid hydrocarbons to water have been combined with solubility data to provide a model for the temperature dependence of the hydrophobic interaction in protein folding. The model applies at temperatures for which the change in heat capacity (delta Cp) is constant. The extrapolated value of
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19. Energetics of Cyclic Dipeptide Crystal Packing and Solvation
Calculations of the thermodynamics of transfer of the cyclic alanine-alanine (cAA) and glycine-glycine (cGG) dipeptides between the gas, water, and crystal phases were carried out using a combination of molecular mechanics, normal mode analysis, and continuum electrostatics. The experimental gas-to-water solvation free energy and the enthalpy of gas-to-cryst
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20. On the entropy function in sociotechnical systems
The entropy function H = -Σpj log pj (pj being the probability of a system being in state j) and its continuum analogue H = ∫p(x) log p(x) dx are fundamental in Shannon's theory of information transfer in communication systems. It is here shown that the discrete form of H also appears naturally in single-lane traffic flow theory. In merchandising, goods f
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21. Isoenthalpic and isoentropic temperatures and the thermodynamics of protein denaturation.
The standard enthalpy or entropy change upon transfer of a small nonpolar molecule from a nonaqueous phase into water at a given temperature is generally different for different solute species. However, if the heat capacity change is independent of temperature, there exists a temperature at which the enthalpy or the entropy change becomes the same for all so
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22. Theory of Rate Processes and the Compensation Rule
The rate of intermolecular charge transfer as involved in the theory of rate processes is derived for a quadratic generalization of Holstein's one-dimensional linear polaron theory. The activation energy and the activation entropy are shown to be proportional to the number of vibrational degrees of freedom associated with each molecular site. The activation
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23. Atomic-scale analysis of the solvation thermodynamics of hydrophobic hydration.
Molecular dynamics simulations are used to model the transfer thermodynamics of krypton from the gas phase into water. Extra long, nanosecond simulations are required to reduce the statistical uncertainty of the calculated "solvation" enthalpy to an acceptable level. Thermodynamic integration is used to calculate the "solvation" free energy, which together w
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24. Relation between the convergence temperatures Th* and Ts* in protein unfolding.
A challenge in understanding the thermodynamics of protein unfolding is to explain the 1979 puzzle posed by Privalov. Why do values of the specific enthalpy and specific entropy of unfolding both converge to common values at approximately the same temperature (Th* approximately equal to Ts*) when extrapolated linearly versus temperature? In 1986, a liquid hy