The authors report adaptive resolution molecular dynamics simulations of a flexible linear polymer in solution. The solvent, i.e., a liquid of tetrahedral molecules, is represented within a certain radius from the polymer's center of mass with a high level of detail, while a lower coarse-grained resolution is used for the more distant solvent. The high resolution sphere moves with the polymer a...

Having unique genetic machinery and a high degree of conservation with higher eukaryotes, the yeast Saccharomyces cerevisiae is recognised as smart experimental system for studying modes chemical toxicity. The present study was undertaken to elucidate changes in intracellular redox homeostasis key macromolecule structure following exposure Zeocin. Cell populations logarithmic, quiescent (Q) non...

A theoretical and experimental investigation has been conducted to study the untrafiltration of macromolecules through semipermeable membranes. A hydrodynamic model for the convection of rigid spherical solutes through cylindrical pores has been developed to examine the effects of solute concentration and charge on solute rejection by membrane pores. An experimental program to test the theoreti...

The elucidation of the three dimensional structure of biological macromolecules has provided an important contribution to our current understanding of many basic mechanisms involved in life processes. This enormous impact largely results from the ability of X-ray crystallography to provide accurate structural details at atomic resolution that are a prerequisite for a deeper insight on the way i...

A new class of SERRS-active macromolecule designed to protect silver nanoparticle surfaces against salt corrosion whilst retaining colloidal stability of the particles is reported.