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Social and Behavioral Sciences

2004

Faculty of Science - Papers (Archive)

Articles 31 - 34 of 34

Full-Text Articles in Physical Sciences and Mathematics

On The Transferability Of The Spcal Water Model To Biomolecular Simulation, Alice Glaettli, Chris Oostenbrink, Xavier Daura, Daan Geerke, Haibo Yu, Wilfred Van Gunsteren Jan 2004

On The Transferability Of The Spcal Water Model To Biomolecular Simulation, Alice Glaettli, Chris Oostenbrink, Xavier Daura, Daan Geerke, Haibo Yu, Wilfred Van Gunsteren

Faculty of Science - Papers (Archive)

We investigated the performance of the recently developed SPC/L model for liquid water, as a pure liquid, in binary mixtures with DMSO, and as a solvent model in a peptide folding simulation. Additionally, in order to test the compatibility with the GROMOS biomolecular force field, free energies of hydration of a set of representative compounds were computed. The results are compared to those for the well established SPC water model, which is generally used as a solvent model in conjunction with the GROMOS force field already for more than two decades. It turns out that as a pure liquid and …

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The Development Of Signal Transduction Pathways During Epididymal Maturation Is Calcium Dependent, Heath W. Ecroyd, Kelly Asquith, Russell C. Jones, Robert J. Aitken Jan 2004

The Development Of Signal Transduction Pathways During Epididymal Maturation Is Calcium Dependent, Heath W. Ecroyd, Kelly Asquith, Russell C. Jones, Robert J. Aitken

Faculty of Science - Papers (Archive)

Capacitation has been correlated with the activation of a cAMP-PKA-dependent signaling pathway leading to protein tyrosine phosphorylation. The ability to exhibit this response to cAMP matures during epididymal maturation in concert with the ability of the sperrnatozoa to capacitate. In this study, we have addressed the mechanisms by which spermatozoa gain the potential to activate this signaling pathway during epididymal maturation. In a modified Tyrode's medium containing 1.7 mM calcium, caput spermatozoa had significantly higher [Ca2+](i) than caudal cells and could not tyrosine phosphorylate in response to cAMP. However, in calcium-depleted medium both caput and caudal cells could exhibit a …

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Processes Controlling Metal Transport And Retention As Metal-Contaminated Groundwaters Efflux Through Estuarine Sediments, Stuart L. Simpson, Edward J. Maher, Dianne F. Jolley Jan 2004

Processes Controlling Metal Transport And Retention As Metal-Contaminated Groundwaters Efflux Through Estuarine Sediments, Stuart L. Simpson, Edward J. Maher, Dianne F. Jolley

Faculty of Science - Papers (Archive)

Factors affecting the transport and retention of Cd, Cr, Cu, Ni, Pb and Zn in acidic groundwaters as they pass through estuarine sediments were investigated using column experiments. Acidic groundwaters caused the rapid dissolution of iron sulfide (AVS) and other iron and manganese phases from sediments that are important for metal binding and buffering. Metal breakthrough to overlying water occurred in the order of Ni>Zn>Cd>>Cu>>Cr/Pb. Metal transport increased as the sediment permeability increased, reflecting the low resistance to flow caused by larger sand-sized particles and the decreased abundance of metal adsorption sites on these materials. Metal …

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Protecting Group Effects On The Efficiency Of The Ruthenium-Catalyzed Alder-Ene Reaction, Joseph Hartley, Stephen G. Pyne Jan 2004

Protecting Group Effects On The Efficiency Of The Ruthenium-Catalyzed Alder-Ene Reaction, Joseph Hartley, Stephen G. Pyne

Faculty of Science - Papers (Archive)

The efficiency of the ruthenium-catalysed Alder-ene reaction of hydroxy alkenes depends heavily on the nature of the O-protecting groups employed as well as the length of the carbon spacer between the hydroxy and alkene group.

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