Browsing by Subject "Thermodynamics"
Now showing items 1-20 of 26
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Article
ABA triblock copolymer-based model networks in the bulk: Effect of the number of arms on microphase behavior
(2005)The microphase separation behavior in the strong segregation limit of model networks based on cross-linked ABA triblock copolymers in the bulk was investigated by calculating analytically the Gibbs free energies of the ...
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Article
Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
(2009)This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine ...
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Article
Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
(2009)This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine ...
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Article
Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
(2009)This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine ...
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Article
Artificial neural networks for modelling the starting-up of a solar steam-generator
(1998)An experimental solar steam generator, consisting of a parabolic trough collector, a high-pressure steam circuit, and a suitable flash vessel has been constructed and tested in order to establish the thermodynamic performance ...
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Article
Bid mark-up selection using artificial neural networks and an entropy metric
(2010)The purpose of the paper is to perform bid mark-up optimisation through the use of artificial neural networks (ANN) and a metric of the selected bid mark-up's derived entropy. The scope is to provide an alternative, ...
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Article
Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase
(2001)Specific amino acid binding by aminoacyl-tRNA synthetases (aaRS) is necessary for correct translation of the genetic code. Engineering a modified specificity into aminoacyl-tRNA synthetases has been proposed as a means to ...
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Article
Copper(II) removal from aqueous solutions by adsorption on non-treated and chemically modified cactus fibres
(2013)The adsorption efficiency of a biomass by-product (cactus fibres) regarding the removal of copper(II) from aqueous solutions has been investigated before and after its chemical treatment. The chemical treatment of the ...
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Article
Dielectric relaxation in an enzyme active site: Molecular dynamics simulations interpreted with a macroscopic continuum model
(2001)Dielectric relaxation plays an important role in many chemical processes in proteins, including acid-base titration, ligand binding, and charge transfer reactions. Its complexity makes experimental characterization difficult, ...
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Article
The effect of correlated and point defects on the vortex lattice melting transition in single-crystal YBa2Cu3O7-δ
(1994)The vortex melting transition Tm in several untwinned and twinned crystals is measured resistively in fields up to 8T. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the ...
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Article
Effects of monovalent anions of the Hofmeister series on DPPC lipid bilayers part II: Modeling the perpendicular and lateral equation-of-state
(2007)The effects of Hofmeister anions on the perpendicular and lateral equation-of-state (EOS) of the dipalmitoylphosphatidylcholine lamellar phase discussed in the companion article are here examined using appropriate free ...
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Article
Kinetics of methane oxidative coupling on zinc-doped titanium oxide
(1992)A kinetic study of methane conversion to C2-hydrocarbons was conducted by cofeeding methane and oxygen at 1 bar total pressure over a series of zinc-doped TiO2 catalysts. The zinc dopant concentration was varied between 1 ...
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Article
Microphase separation under constraints: A molecular thermodynamic theory for polyelectrolytic amphiphilic model networks in water
(2004)The aqueous aggregation behavior of covalent model networks comprising amphiphilic ABA triblock copolymers with hydrophilic ionic mid-blocks and hydrophobic non-ionic end-blocks was studied by formulating a molecular ...
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Article
A new kinetic term in the phenomenology of layered superconductors
(1993)We show that the Lawrence-Doniach free energy for layered superconductors can be derived from an anisotropic Ginzburg-Landau free energy with a spatially dependent coefficient for the quadratic term. Our derivation indicates ...
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Article
Origin of the stabilization of the metastable tetragonal high-pressure phase in SrCuO2 thin films grown on SrTiO3 substrates by pulsed laser deposition
(2014)In this work we have systematically investigated the evolution of structure and stoichiometry in SrCuO2 films grown on TiO2-terminated SrTiO3 substrates as a function of the substrate temperature. Depending on the growth ...
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Article
Proton binding to proteins: A free-energy component analysis using a dielectric continuum model
(2005)Proton binding plays a critical role in protein structure and function. We report pKa calculations for three aspartates in two proteins, using a linear response approach, as well as a "standard" Poisson-Boltzmann approach. ...
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Conference Object
Relations between information theory, robustness, and statistical mechanics of stochastic systems
(2004)The fundamental question, which will be addressed in this talk are the relations between dissipation, which is a concept of robustness, entropy rate, which is a concept of information theory, and statistical mechanics. ...
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Conference Object
Relations between information theory, robustness, and statistical mechanics of stochastic systems
(Affiliation: Sch. of Info. Technol. and Eng., University of Ottawa, 161 Louis Pasteur, A519, Ottawa, Ont. K1N 6N5, CanadaAffiliation: Electrical Engineering Department, University of Cyprus, 75 Kallipoleos Avenue, Nicosia, CyprusAffiliation: Sch. of Info. Technol. and Eng., University of Ottawa, 800 King Edward Ave., Ottawa, Ont. K1N 6N5, CanadaAffiliation: Mechanical Engineering Department, University of Cyprus, 75 Kallipoleos Avenue, Nicosia, CyprusCorrespondence Address: Charalambous, C.D.Sch. of Info. Technol. and Eng., University of Ottawa, 161 Louis Pasteur, A519, Ottawa, Ont. K1N 6N5, Canadaemail: chadcha@site.uottawa.ca, 2004)The fundamental question, which will be addressed in this talk are the relations between dissipation, which is a concept of robustness, entropy rate, which is a concept of information theory, and statistical mechanics. ...
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Conference Object
Relations between information theory, robustness, and statistical mechanics of stochastic systems
(Affiliation: Sch. of Info. Technol. and Eng., University of Ottawa, 161 Louis Pasteur, A519, Ottawa, Ont. K1N 6N5, CanadaAffiliation: Electrical Engineering Department, University of Cyprus, 75 Kallipoleos Avenue, Nicosia, CyprusAffiliation: Sch. of Info. Technol. and Eng., University of Ottawa, 800 King Edward Ave., Ottawa, Ont. K1N 6N5, CanadaAffiliation: Mechanical Engineering Department, University of Cyprus, 75 Kallipoleos Avenue, Nicosia, CyprusCorrespondence Address: Charalambous, C.D.Sch. of Info. Technol. and Eng., University of Ottawa, 161 Louis Pasteur, A519, Ottawa, Ont. K1N 6N5, Canadaemail: chadcha@site.uottawa.ca, 2004)The fundamental question, which will be addressed in this talk are the relations between dissipation, which is a concept of robustness, entropy rate, which is a concept of information theory, and statistical mechanics. ...
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Conference Object Open Access
A study on science teachers´ use of design features of a simulated visual laboratory to develop active involvement of students in the teaching of thermodynamics at senior high school
(Department of Educational Sciences, University of Cyprus, 2003)In this paper we describe a small-scale exploratory study on how in-service science teachers of Greek senior high schools can take advantage of facilities included in a simulated visual Lab to create innovative open ...