Jason Wagoner and Nathan A. Baker, "Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models,"Journal of Computational Chemistry(2004) 25(13) 1623–1629

The article to which this Erratum refers was published in Journal of Computational Chemistry (2004) 25(13) 1623–1629     

Papuamides E and F, Cytotoxic Depsipeptides from the Marine Sponge Melophlus sp

Two known papuamides C (1) and D (2) together with two new depsipeptides, papuamides E (3) and F (4), were isolated from an undescribed sponge of the genus Melophlus collected in the Solomon Islands. The planar structures of the compounds were elucidated on the basis of spectroscopic studies. Papuamides C-F (1-4) showed cytotoxicity against brine shrimp with LD₅₀ values between 92 and 106 μg/mL.     

Patterned hydrogel substrates for cell culture with electrohydrodynamic jet printing

Cells respond to and are directed by physiochemical cues in their microenvironment, including geometry and substrate stiffness. The development of substrates for cell culture with precisely controlled physiochemical characteristics has the potential to advance the understanding of cell biology considerably. In this communication, E-jet printing is introduced as a method for creating high-resolution protein patterns on substrates with controlled elasticity. It is the first application of E-jet printing on a soft surface. Protein spots as small as 5 μm in diameter on polyacrylamide are demonstrated. The patterned hydrogels are shown to support cell attachment and spreading. Polyacrylamide substrates patterned by E-jet printing may be applied to further the study of cellular mechanobiology.     

DYNGA: a general purpose QM-MM-MD program. I. Application to water

We present a general purpose QM-MM-MD engine (DYNGA) designed to test alternative hybrid Hamiltonians geared towards the treatment of problems of interest in structural biology including the use of experimental data constraints. In this first presentation we use DYNGA to explore the behaviour of a traditional QM-MM approach in the treatment of the water—water interaction. We find the potential energy hypersurface for the water dimer computed with the HF 4–31G*/TIP3P hybrid Hamiltonian tends to be too flat. We also explore the effect of using traditional QM-MM techniques on proton wires and conclude there is a need for improvement, possibly addressed by using polarizable force fields.     

Precision measurements of recoil-free fraction and interference with hundred Curie sources

We discuss our experiences with exceptionally intense Mössbauer sources (of order 100 Ci) and their use in making precision determinations of line shape parameters. We review our measurements of interference and recoilless fraction using conventional transmission geometry. Fitting simultaneous sets of data with known constraints greatly improves the efficiency of line-shape determination. Measurements of interference have been made using a two-absorber technique first introduced by Mössbauer and coworkers. Our results indicate that the method can be useful for determining interference, but that incorrect line shape parameters are obtained if powder samples are used which do not comply well with the assumption of thickness uniformity in the absorber.     

PAST AND FUTURE MANAGEMENT OF A COLLAPSED FISHERY: THE BAY OF BISCAY ANCHOVY

Abstract We analyze the efficiency of the international management of the Bay of Biscay anchovy. While a sharing agreement between France and Spain has been in place since 1992, the fish stock collapsed in 2005 and the fishery closed from 2005 to spring 2010. We consider differences in production technologies between both countries and calibrate our model using data from 1987 to 2009. Our results suggest two sources of rent dissipation under the existing sharing agreement: inefficient quota allocation and production inefficiencies due to inflexible national regulations. We discuss several alternatives to improve management.