Taking multicalixarenes into the nanoworld: first third-generation calixarene dendrimer

We report the first synthesis of a dendritic multicalixarene, featuring twenty-one calixarene units, which when adsorbed onto mica, forms regular assemblies which can then further aggregate to form larger clusters.     

ElectroShape: fast molecular similarity calculations incorporating shape,chirality and electrostatics

We present ElectroShape, a novel ligand-based virtual screening method, that combines shape and electrostatic information into a single, unified framework. Building on the ultra-fast shape recognition (USR) approach for fast non-superpositional shape-based virtual screening, it extends the method by representing partial charge information as a fourth dimension. It also incorporates the chiral shape recognition (CSR) method, which distinguishes enantiomers. It has been validated using release 2 of the Directory of useful decoys (DUD), and shows a near doubling in enrichment ratio at 1% over USR and CSR, and improvements as measured by Receiver Operating Characteristic curves. These improvements persisted even after taking into account the chemotype redundancy in the sets of active ligands in DUD. During the course of its development, ElectroShape revealed a difference in the charge allocation of the DUD ligand and decoy sets, leading to several new versions of DUD being generated as a result. ElectroShape provides a significant addition to the family of ultra-fast ligand-based virtual screening methods, and its higher-dimensional shape recognition approach has great potential for extension and generalisation.     

A Comparative Study of the Lipid Composition of the Brain of Chicken and Rat During Myelination. A Chromatographic and Densitometric Analysis

JPC – Journal of Planar Chromatography – Modern TLC - The lipid profiles of brain from 10- and 18-day-old chick embryo, 1-day-old chick, and adult chicken as well as of full-term fetus...     

Dilatonic effects near naked singularities

Static spherically symmetric solutions of 4d Brans–Dicke theory include a set of naked singularity solutions. Dilatonic effects near the naked singularities result in either a shielding or an antishielding effect from intruding massive test particles. One result is that for a portion of the solution parameter space, no communication between the singularity and a distant observer is possible via massive particle exchanges. Kaluza–Klein gravity is considered as a special case.     

Size effects and stochastic behavior of nanoindentation pop in

A statistical model for pop in initiated at preexisting dislocations during nanoindentation is developed to explain size-dependent pop-in stresses. To verify theoretical predictions of this model, experiments were performed on single-crystal Mo, utilizing indenter radii that vary by over 3 orders of magnitude. The stress where plastic deformation begins ranges from the theoretical strength in small volumes, to 1 order of magnitude lower in larger volumes. An intermediate regime shows wide variability in the stress to initiate plastic deformation. Our theory accurately reproduces the experimental cumulative probability distributions, and predicts a scaling behavior that matches experimental behavior.