Decomposition behavior in aggregated data sets

One way to aggregate data is to combine several sets with the same structure, but no overlap in their ranges of values — for instance, aggregating prices before and after a period of hyperinflation. Looking at nonparametric tests on three ‘items’, we compute the relation of the decomposition of the underlying voting profiles of such aggregated sets to those for the original data. We focus on the Basic components, including examples of ‘pure Basic’ sets, computed using Sage. This yields several interesting results about consistency of nonparametric tests with respect to this kind of aggregation, and suggests types of non-uniformity which are not detected by standard tests.     

Ligand-target interaction-based weighting of substructures for virtual screening

A methodology is introduced to assign energy-based scores to two-dimensional (2D) structural features based on three-dimensional (3D) ligand-target interaction information and utilize interaction-annotated features in virtual screening. Database molecules containing such fragments are assigned cumulative scores that serve as a measure of similarity to active reference compounds. The Interaction Annotated Structural Features (IASF) method is applied to mine five high-throughput screening (HTS) data sets and often identifies more hits than conventional fragment-based similarity searching or ligand-protein docking.     

Chaotic Expansion of Elements of the Universal Enveloping Algebra of a Lie Algebra Associated with a Quantum Stochastic Calculus

The functional Ito formula, in the form df() = f( + d ) –f(),is formulated and proved in the context of a Lie algebra L associatedwith a quantum (non-commutative) stochastic calculus. Here fis an element of the universal enveloping algebra U of L, andf() + d() – f() is given a meaning using the coproductstructure of U even though the individual terms of this expressionhave no meaning. The Ito formula is equivalent to a chaoticexpansion formula for f() which is found explicitly. 1991 MathematicsSubject Classification: primary 81S25; secondary 60H05; tertiary18B25.     

Doping of polyvinylidene difluoride with cobalt nitrate: Structural,electrical, and magnetic properties

Polyvinylidene difluoride (PVDF) doped with a few percentage of cobalt nitrate hexahydrate induces transition into the ferroelectric β‐phase. Infrared spectra show peaks indicative of β‐phase PVDF at 1277 cm^?1 and loss of the α‐phase peak at 790 cm^?1 while polarization measurements show loops consistent with relaxor ferroelectric behavior. Electronic spectroscopy shows that the Co²⁺ ion is in a six‐coordinate environment, and this is confirmed by magnetic susceptibility. Thermal measurements show that the PVDF melts near 155 °C, depending on the Co²⁺ content, and that there are several other thermal features that are associated with the hydrated cobalt nitrate. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Two-element dielectric antenna serially excited by optical wavelength multiplexing

A single pulsed laser beam containing multiple wavelengths (wavelength multiplexing) is employed to activate two semiconductor antennas in series. The dielectric nature of the semiconductors permits serial cascading of the antenna elements. Recently observed nonlinear characteristics of the radiated field as a function of the free carrier accelerating (bias) voltage are used to minimize the small interactions between elements. We demonstrate that the temporal electromagnetic radiation distribution of two serial antennas is sensitive to the three-dimensional pattern of the optical excitation source. One can, in turn, vary this distribution continuously by optical means to reconfigure the array.