Disorder and Photogeneration Efficiency in Organic Semiconductors.

An analytical description of the separation probability of a geminate pair in organic semiconductors is given. The initial diffusion of "hot" twins is anomalously strong due to energy disorder. This circumstance significantly increases the photogeneration quantum yield at low temperatures and weakens its temperature dependence relative to predictions of the Onsager model, in agreement with Monte Carlo and experimental results.

Plasma ionization balance in chemical-picture and average-atom models.

We propose an approximate method to calculate ion partition functions in the context of the chemical-picture representation of plasmas as an interacting mixture of various ions and free electrons under the local-thermodynamic-equilibrium conditions. The method uses the superconfiguration approach and implies that the first-order corrections to the energies of excited electron configurations due to the electron-electron interaction may be replaced by a similar first-order correction to the energy of the basic configuration of an ion with the same number of bound electrons. The method enables one to significantly speed up the calculations and generally provides quite accurate results.

Laser-Ablative Synthesis of Silicon-Iron Composite Nanoparticles for Theranostic Applications.

The combination of photothermal and magnetic functionalities in one biocompatible nanoformulation forms an attractive basis for developing multifunctional agents for biomedical theranostics. Here, we report the fabrication of silicon-iron (Si-Fe) composite nanoparticles (NPs) for theranostic applications by using a method of femtosecond laser ablation in acetone from a mixed target combining silicon and iron. The NPs were then transferred to water for subsequent biological use.

Boron Nanoparticle-Enhanced Proton Therapy for Cancer Treatment.

Proton therapy is one of the promising radiotherapy modalities for the treatment of deep-seated and unresectable tumors, and its efficiency can further be enhanced by using boron-containing substances. Here, we explore the use of elemental boron (B) nanoparticles (NPs) as sensitizers for proton therapy enhancement. Prepared by methods of pulsed laser ablation in water, the used B NPs had a mean size of 50 nm, while a subsequent functionalization of the NPs by polyethylene glycol improved their colloidal stability in buffers.

Imidazole-4-N-acetamide Derivatives as a Novel Scaffold for Selective Targeting of Cyclin Dependent Kinases.

The rational design of cyclin-dependent protein kinase (CDK) inhibitors presumes the development of approaches for accurate prediction of selectivity and the activity of small molecular weight anticancer drug candidates. Aiming at attenuation of general toxicity of low selectivity compounds, we herein explored the new chemotype of imidazole-4-N-acetamide substituted derivatives of the pan-CDK inhibitor PHA-793887. Newly synthesized compounds - containing an aliphatic methyl group or aromatic radicals at the periphery of the scaffold were analyzed for the prediction of relative free energies of binding to CDK1, -2, -5, and -9 using a protocol based on non-equilibrium (NEQ) thermodynamics.

Assessment of Antimicrobial Consumption in Multi-Field Hospitals with Pediatric Inpatients: Conventional vs. Novel Pediatric-Adjusted Methodologies.

Background: the objective of this study was to propose a methodology for the assessment of antimicrobial consumption (AMC) in pediatric inpatients and to estimate variances in consumption levels in multi-field hospitals with pediatric inpatients, calculated by means of the pediatric-adjusted methodology vs. the conventional methodology.

Methods: the pediatric-adjusted methodology based on the conventional ATC/DDD method and children's DDDs (cDDD) for antimicrobials were proposed and validated in a series of probabilistic sensitivity analyses of real clinical data extracted from the receipt notes of three multi-field hospitals.

Ultrasound-Stimulated PVA Microbubbles as a Green and Handy Tool for the Cleaning of Cellulose-Based Materials.

One of the main issues in the cultural heritage field of restoration chemistry is the identification of greener and more effective methods for the wet cleaning of paper artefacts, which serve as witnesses to human history and custodians of cultural values. In this context, we propose a biocompatible method to perform wet cleaning on paper based on the use of 1 MHz ultrasound in combination with water-dispersed polyvinyl alcohol microbubbles (PVAMBs), followed by dabbing with PVA-based hydrogel. This method can be applied to both old and new papers.

Interplay between structural changes, surface states and quantum confinement effects in semiconducting MgSi and CaSi thin films.

techniques have been used to investigate structural changes in semiconducting MgSi and CaSi thin films (from 17 nm down to 0.2 nm corresponding to the 2D structure) along with band-gap variations due to quantum confinement. Cubic MgSi(111) thin films being dynamically stable at thicknesses () larger than 0.

Search for Dispersed Repeats in Bacterial Genomes Using an Iterative Procedure.

We have developed a de novo method for the identification of dispersed repeats based on the use of random position-weight matrices (PWMs) and an iterative procedure (IP). The created algorithm (IP method) allows detection of dispersed repeats for which the average number of substitutions between any two repeats per nucleotide () is less than or equal to 1.5.

Measurement of Direct-Photon Cross Section and Double-Helicity Asymmetry at sqrt[s]=510 GeV in p[over →]+p[over →] Collisions.

We present measurements of the cross section and double-helicity asymmetry A_{LL} of direct-photon production in p[over →]+p[over →] collisions at sqrt[s]=510  GeV. The measurements have been performed at midrapidity (|η|<0.25) with the PHENIX detector at the Relativistic Heavy Ion Collider.

Measurements of the Elliptic and Triangular Azimuthal Anisotropies in Central ^{3}He+Au, d+Au and p+Au Collisions at sqrt[s_{NN}]=200 GeV.

The elliptic (v_{2}) and triangular (v_{3}) azimuthal anisotropy coefficients in central ^{3}He+Au, d+Au, and p+Au collisions at sqrt[s_{NN}]=200  GeV are measured as a function of transverse momentum (p_{T}) at midrapidity (|η|<0.9), via the azimuthal angular correlation between two particles both at |η|<0.9.

Radiomics in Determining Tumor-to-Normal Brain SUV Ratio Based on C-Methionine PET/CT in Glioblastoma.

Unlabelled: Modern methodology of PET/CT quantitative analysis in patients with glioblastomas is not strictly standardized in clinic settings and does not exclude the influence of the human factor. Methods of radiomics may facilitate unification, and improve objectivity and efficiency of the medical image analysis. is to evaluate the potential of radiomics in the analysis of PET/CT glioblastoma images identifying the relationship between the radiomic features and the С-methionine tumor-to-normal brain uptake ratio (TNR) determined by an expert in routine.

Chiral electroluminescence from thin-film perovskite metacavities.

Chiral light sources realized in ultracompact device platforms are highly desirable for various applications. Among active media used for thin-film emission devices, lead-halide perovskites have been extensively studied for photoluminescence due to their exceptional properties. However, up to date, there have been no demonstrations of chiral electroluminescence with a substantial degree of circular polarization (DCP) based on perovskite materials, being critical for the development of practical devices.

EEG and peripheral markers of viewer ratings: a study of short films.

Introduction: Cinema is an important part of modern culture, influencing millions of viewers. Research suggested many models for the prediction of film success, one of them being the use of neuroscientific tools. The aim of our study was to find physiological markers of viewer perception and correlate them to short film ratings given by our subjects.

Laser Bioprinting with Cell Spheroids: Accurate and Gentle.

Laser printing with cell spheroids can become a promising approach in tissue engineering and regenerative medicine. However, the use of standard laser bioprinters for this purpose is not optimal as they are optimized for transferring smaller objects, such as cells and microorganisms. The use of standard laser systems and protocols for the transfer of cell spheroids leads either to their destruction or to a significant deterioration in the quality of bioprinting.

A Comparative XPS, UV PES, NEXAFS, and DFT Study of the Electronic Structure of the Salen Ligand in the H(Salen) Molecule and the [Ni(Salen)] Complex.

A comparative study of the electronic structure of the salen ligand in the H(Salen) molecule and the [Ni(Salen)] complex was performed using the experimental methods of XPS, UV PES, and NEXAFS spectroscopy along with DFT calculations. Significant chemical shifts of +1.0 eV (carbon), +1.

Distributions of energy imparted to a micro-volume by secondary charged fragments of nuclear interactions in space radiation field.

The field of cosmic radiation at low-Earth orbit (LEO) has a complex composition. It always contains a component of secondary charged particles, formed by the products of nuclear interactions of the primary high-energy radiation with the nuclei of spacecraft's shielding material, electronic components and biological matter on board. Generation of this secondary radiation can be observed in some track detectors in the form of "stars" formed by tracks-fragments with a common vertex.

Construction of a transition-metal sulfide heterojunction photocatalyst driven by a built-in electric field for efficient hydrogen evolution under visible light.

Photocatalytic H evolution is of prime importance in the energy crisis and in lessening environmental pollution. Adopting a single semiconductor as a photocatalyst remains a formidable challenge. However, the construction of an S-scheme heterojunction is a promising method for efficient water splitting.

Method and computer library for calculation of the Boltzmann collision integrals on discrete momentum lattice.

We present a general and numerically efficient method for calculation of collision integrals for interacting quantum gases on a discrete momentum lattice. Here we employ the original analytical approach based on Fourier transform covering a wide spectrum of solid-state problems with various particle statistics and arbitrary interaction models, including the case of momentum-dependent interaction. The comprehensive set of the transformation principles is given in detail and realized as a computer Fortran 90 library FLBE (Fast Library for Boltzmann Equation).

Collective excitations of a bound-in-the-continuum condensate.

Spectra of low-lying elementary excitations are critical to characterize properties of bosonic quantum fluids. Usually these spectra are difficult to observe, due to low occupation of non-condensate states compared to the ground state. Recently, low-threshold Bose-Einstein condensation was realised in a symmetry-protected bound state in the continuum, at a saddle point, thanks to coupling of this electromagnetic resonance to semiconductor excitons.

Observation of Directed Flow of Hypernuclei _{Λ}^{3}H and _{Λ}^{4}H in sqrt[s_{NN}]=3 GeV Au+Au Collisions at RHIC.

We report here the first observation of directed flow (v_{1}) of the hypernuclei _{Λ}^{3}H and _{Λ}^{4}H in mid-central Au+Au collisions at sqrt[s_{NN}]=3  GeV at RHIC. These data are taken as part of the beam energy scan program carried out by the STAR experiment. From 165×10^{6} events in 5%-40% centrality, about 8400 _{Λ}^{3}H and 5200 _{Λ}^{4}H candidates are reconstructed through two- and three-body decay channels.