Two-Dimensional Excitons in Multiple GaN/AlN Monolayer Quantum Wells

JETP Letters - The decay kinetics of low-temperature exciton photoluminescence in a heterostructure with multiple GaN/AlN monolayer quantum wells, which is prepared by molecular beam epitaxy, is...     

Quasi-SMILES: quantitative structure–activity relationships to predict anticancer activity

Molecular Diversity - Reliable prediction of anticancer potential of different substances for different cells using unambiguous algorithms is attractive alternative of experimental investigation of...     

Towards predicting the solubility of CO2 and N2 in different polymers using a quasi-SMILES based QSPR approach

The solubility of gases in various polymers plays an important role for the design of new polymeric materials. Quantitative structure–property relationship (QSPR) models were designed to predict the solubility of gases such as CO₂ and N₂ in polyethylene (PE), polypropylene (PP), polystyrene (PS), polyvinyl acetate (PVA) and poly (butylene succinate) (PBS) at different temperatures and pressures by using quasi-SMILES codes. The dataset of 315 systems was split randomly into training, calibration and validation sets; random split 1 led to 214 training (r² = 0.870 and RMSE = 0.019), 51 calibration (r² = 0.858 and RMSE = 0.020) and 50 validation (r² = 0.869 and RMSE = 0.017) sets. The suggested approach based on the quasi-SMILES, which are analogues of the traditional SMILES gives reasonable good predictions for solubility of CO₂ and N₂ in different polymers. The described methodology is universal for situations where the aim is to predict the response of an eclectic system upon a variety of physicochemical and/or biochemical conditions.     

Configurations and local vibrations of differently charged oxygen vacancies in quartz crystal

We have studied local configurations and vibration states of oxygen vacancies in different charge states in α-quartz. The local atomic structure and the lattice dynamics have been simulated using first-principles potentials of the Buckingham type. The effect of defects on the vibration spectrum of α-quartz has been studied by calculating the local densities of vibrational states.     

Using localized surface plasmons to modify the optical properties and conformational rearrangements of organic dye molecules

Optical properties of the molecular layers of cyanine dyes and their modification in a nearby field of silver nanoparticles on a sapphire substrate are investigated experimentally. Enhancement of the fluorescence and absorption intensity of organic molecules in the presence of silver nanoparticles is observed. The results from photomodifications of the molecular layers’ absorption properties with and without the presence of silver nanoparticles are described.     

Measurement Error of Interferometers with Diffraction Reference Wave

Technical Physics - An experimental setup and results on aberration of sources of a reference spherical wave (SRSW) based on a single-mode optical fiber with a subwavelength output aperture...     

Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization

The Index of Ideality of Correlation (IIC) is a new criterion of the predictive potential for quantitative structure–property/activity relationships. The value of the IIC is a mathematical function sensitive to the value of the correlation coefficient and dispersion (expressed via mean absolute error). The IIC has been applied to develop QSAR models for skin sensitization achieving good predictive potential. The ‘ideal correlation’ is based on elementary fragments of simplified molecular input-line entry system (SMILES) and on the taking into account of the total numbers of nitrogen, oxygen, sulphur and phosphorus in the molecule.     

Giant magnetoresistance oscillations induced by microwave radiation and a zero-resistance state in a 2D electron system with a moderate mobility

The effect of a microwave field in the frequency range from 54 to 140 GHz on the magnetotransport in a GaAs quantum well with AlAs/GaAs superlattice barriers and with an electron mobility no higher than 10⁶ cm²/V s is investigated. In the given two-dimensional system under the effect of microwave radiation, giant resistance oscillations are observed with their positions in the magnetic field being determined by the ratio of the radiation frequency to the cyclotron frequency. Earlier, such oscillations had only been observed in GaAs/AlGaAs heterostructures with much higher mobilities. When the samples under study are irradiated with a 140-GHz microwave field, the resistance corresponding to the main oscillation minimum, which occurs near the cyclotron resonance, appears to be close to zero. The results of the study suggest that a mobility value lower than 10⁶ cm²/V s does not prevent the formation of zero-resistance states in a magnetic field in a two-dimensional system under the effect of microwave radiation.