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Full-Text Articles in Life Sciences
An Assessment Of Five Australian Polychaetes And Bivalves For Use In Whole-Sediment Toxicity Tests: Toxicity And Accumulation Of Copper And Zinc From Water And Sediment, C K. King, M C. Dowse, S L. Simpson, D F. Jolley
An Assessment Of Five Australian Polychaetes And Bivalves For Use In Whole-Sediment Toxicity Tests: Toxicity And Accumulation Of Copper And Zinc From Water And Sediment, C K. King, M C. Dowse, S L. Simpson, D F. Jolley
Faculty of Science - Papers (Archive)
The suitability of two polychaete worms, Australonereis ehlersi and Nephtys australiensis, and three bivalves, Mysella anomala, Tellina deltoidalis, and Soletellina alba, were assessed for their potential use in whole-sediment toxicity tests. All species except A. ehlersi, which could not be tested because of poor survival in water-only tests, survived in salinities ranging from 18‰ to 34‰ during the 96-hour exposure period. No mortality was observed in any of the species exposed to sediment compositions ranging from 100% silt to 100% sand for 10 days, thus demonstrating the high tolerance of the five species to a wide range of sediment types. …
Charge-On-Spring Polarizable Water Models Revisited: From Water Clusters To Liquid Water To Ice, Haibo Yu, Wilfred Van Gunsteren
Charge-On-Spring Polarizable Water Models Revisited: From Water Clusters To Liquid Water To Ice, Haibo Yu, Wilfred Van Gunsteren
Faculty of Science - Papers (Archive)
The properties of two improved versions of charge-on-spring �COS� polarizable water models (COS/G2 and COS/G3) that explicitly include nonadditive polarization effects are reported. In COS models, the polarization is represented via a self-consistently induced dipole moment consisting of a pair of separated charges. A previous polarizable water model (COS/B2), upon which the improved versions are based, was developed by Yu, Hansson, and van Gunsteren �J. Chem. Phys. 118, 221 �2003��. To improve the COS/B2 model, which overestimated the dielectric permittivity, one additional virtual atomic site was used to reproduce the water monomer quadrupole moments besides the water monomer dipole moment …
On The Transferability Of The Spcal Water Model To Biomolecular Simulation, Alice Glaettli, Chris Oostenbrink, Xavier Daura, Daan Geerke, Haibo Yu, Wilfred Van Gunsteren
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 …