An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces

Quasi-Chemical Theory and Implicit Solvent Models for Simulations

A statistical thermodynamic development is given of a new implicit solvent model that avoids the traditional system size limitations of computer simulation of macromolecular solutions with periodic boundary conditions. This implicit solvent model is based upon the quasi-chemical approach, distinct from the common integral equation trunk of the theory of liquid solutions. The physical content of this theory is the hypothesis that a small set of solvent molecules are decisive for these solvation problems. A detailed derivation of the quasi-chemical theory escorts the development of this proposal. The numerical application of the quasi-chemical treatment to Li$^+$ ion hydration in liquid water is used to motivate and exemplify the quasi-chemical theory. Those results underscore the fact that the quasi-chemical approach refines the path for utilization of ion-water cluster results for the statistical thermodynamics of solutions.Comment: 30 pages, contribution to Santa Fe Workshop on Treatment of Electrostatic Interactions in Computer Simulation of Condensed Medi

Analyzing Correlation Functions with Tesseral and Cartesian Spherical Harmonics

The dependence of inter-particle correlations on the orientation of particle relative-momentum can yield unique information on the space-time features of emission in reactions with multiparticle final states. In the present paper, the benefits of a representation and analysis of the three-dimensional correlation information in terms of surface spherical harmonics is presented. The harmonics include the standard complex tesseral harmonics and the real cartesian harmonics. Mathematical properties of the lesser-known cartesian harmonics are illuminated. The physical content of different angular harmonic components in a correlation is described. The resolving power of different final-state effects with regarding to determining angular features of emission regions is investigated. The considered final-state effects include identity interference and strong and Coulomb interactions. The correlation analysis in terms of spherical harmonics is illustrated with the cases of gaussian and blast-wave sources for proton-charged meson and baryon-baryon pairs.Comment: 32 pages 10 figure

Lifetimes and Sizes from Two-Particle Correlation Functions

We discuss the Yano-Koonin-Podgoretskii (YKP) parametrization of the two-particle correlation function for azimuthally symmetric expanding sources. We derive model-independent expressions for the YKP fit parameters and discuss their physical interpretation. We use them to evaluate the YKP fit parameters and their momentum dependence for a simple model for the emission function and propose new strategies for extracting the source lifetime. Longitudinal expansion of the source can be seen directly in the rapidity dependence of the Yano-Koonin velocity.Comment: 15 pages REVTEX, 2 figures included, submitted to Phys. Lett. B, Expanded discussion of disadvantages of standard HBT fit and of Fig.

Cyclophilin-A is bound to through its peptidylprolyl isomerase domain to the cytoplasmic dynein motor protein complex

Although cyclophilin A (CyP-A) is a relatively abundant small immunophilin present in the cytoplasm of all mammalian cells, its general function(s) in the absence of the immunosuppressant drug cyclosporin A is not known. In contrast, the high molecular weight hsp90-binding immunophilins appear to play a role in protein trafficking in that they have been shown to link glucocorticoid receptor-hsp90 and p53.hsp90 complexes to the dynein motor protein for retrograde movement along microtubules. These immunophilins link to cytoplasmic dynein indirectly through the association of the immunophilin peptidylprolyl isomerase (PPIase) domain with dynamitin, a component of the dynein-associated dynactin complex (Galigniana, M. D., Harrell, J. M., O'Hagen, H. M., Ljungman, M., and Pratt, W. B. (2004) J. Biol. Chem. 279, 22483-22489). Here, we show that CyP-A exists in native heterocomplexes containing cytoplasmic dynein that can be formed in cell-free systems. Prolyl isomerase activity is not required for forming the dynein complex, but the PPIase domain fragment of FKBP52 blocks complex formation and CyP-A binds to dynamitin in a PPIase domain-dependent manner. CyP-A heterocomplexes containing tubulin and dynein can be formed in cytosol prepared under microtubule-stabilizing conditions, and CyP-A colocalizes in mouse fibroblasts with microtubules. Colocalization with microtubules is disrupted by overexpression of the PPIase domain fragment. Thus, we conclude that CyP-A associates in vitro and in vivo with the dynein/dynactin motor protein complex and we suggest that CyP-A may perform a general function related to the binding of cargo for retrograde movement along microtubules.Fil: Galigniana, Mario Daniel. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Biológica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. University of Michigan; Estados UnidosFil: Morishima, Yoshihiro. University of Michigan; Estados UnidosFil: Gallay, Philippe A.. The Scripps Research Institute; Estados UnidosFil: Pratt, William B.. University of Michigan; Estados Unido