Novel nanostructured pHEMA-TiO2 hybrid materials with efficient light-induced charge separation

We report on a new approach to the fabrication of an electronic material: organic-inorganic pHEMA-oxo-TiO(2) hybrid with efficient light-induced separation of charges. Particular attention is paid to the material nanoscale morphology. The size-selected 5.0 nm titanium oxo-alkoxy nanoparticles are prepared in a sol-gel reactor with rapid (turbulent) fluid micromixing and the ligand exchange results in a stable nanoparticulate precursor in HEMA solution, in which polymerization can be induced thermally or by photons. The obtained hybrid materials demonstrate the highest quantum yield of photoinduced charge separation of 50% and can store photoinduced electrons at a number density above 10% Ti atoms.     

Structural Analysis of the Ancestral Haloalkane Dehalogenase AncLinB-DmbA

Haloalkane dehalogenases (EC 3.8.1.5) play an important role in hydrolytic degradation of halogenated compounds, resulting in a halide ion, a proton, and an alcohol. They are used in biocatalysis, bioremediation, and biosensing of environmental pollutants and also for molecular tagging in cell biology. The method of ancestral sequence reconstruction leads to prediction of sequences of ancestral enzymes allowing their experimental characterization. Based on the sequences of modern haloalkane dehalogenases from the subfamily II, the most common ancestor of thoroughly characterized enzymes LinB from Sphingobium japonicum UT26 and DmbA from Mycobacterium bovis 5033/66 was in silico predicted, recombinantly produced and structurally characterized. The ancestral enzyme AncLinB-DmbA was crystallized using the sitting-drop vapor-diffusion method, yielding rod-like crystals that diffracted X-rays to 1.5 Å resolution. Structural comparison of AncLinB-DmbA with their closely related descendants LinB and DmbA revealed some differences in overall structure and tunnel architecture. Newly prepared AncLinB-DmbA has the highest active site cavity volume and the biggest entrance radius on the main tunnel in comparison to descendant enzymes. Ancestral sequence reconstruction is a powerful technique to study molecular evolution and design robust proteins for enzyme technologies.     

One-photon scattering by an atomic chain in a two-mode resonator: cyclic conditions

In this work, a chain of N identical two-level atoms coupled with a quantized electromagnetic field, initially prepared via a single-photon Fock state, is investigated. The N-particle state amplitude of the system is calculated for several space configurations of the atoms in the Weisskopf-Wigner approximation. It was shown that the space configuration of an atomic chain, the total number of atoms, and even the available volume for the field modes define the behavior of the system state amplitude with time. Applying the condition of ‘cyclic bonds’, presented in this work, to the elaborated theory allows to describe the system time evolution, practically, for any space configuration.     

Personality profiles of children of alcoholics.

Compared 62 children of alcoholics (COAs) with the norm population on the Personality Inventory for Children. Ss had mean scores on the Family Relations, Delinquency, Depression, and Withdrawal scales that were more than 1 standard deviation above those of norm population. Analyses of individual profiles indicated a great deal of variation in the profiles of COAs. COAs were overrepresented in the clinical range of scores by approximately 4:1. Although clear signs of adjustment problems were indicated for some COAs, the majority did not show these signs. Contrary to what might be expected, there is no standard profile for COAs, and the general negative profile that is painted for COAs might not be true for most. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Simulation and fabrication of a fast fringe‐field switching liquid crystal with enhanced surface anchoring enabled by controlled polymer topology

We demonstrate a fringe‐field switching nematic liquid crystal with electro‐optical behavior modulated by both bulk and surface polymer stabilization. The polymer is formed by ultraviolet irradiation‐induced phase separation of various amounts of a reactive monomer in the planar‐aligned nematic liquid crystal. Simulation is carried out to verify the effect of anchoring energy. Experimental evidence validates the effect of monomer concentration on transmittance–voltage and response times curves of fringe‐field switching cells. The polymer‐stabilized alignment with a higher polymer concentration escalates the interaction between the liquid crystal and the polymer structure and increases the surface anchoring energy. The polymer stabilization also improves the dynamic response times of liquid crystal. The enabling polymer‐stabilized alignment technique has excellent electro‐optical properties such as a very good dark state, high optical contrast, and fast rise and decay times that may lead to development of a wide range of applications.     

Bauschinger Effect in Microalloyed Steels: Part II. Influence of Work Softening on Strength Development During UOE Line-Pipe Forming

The Bauschinger effect (a reduced yield stress at the start of reverse deformation following forward prestrain) is an important factor of strength development for cold metal forming technology. In steels, the magnitude of the Bauschinger effect depends on composition, through the presence of microalloy precipitates, and prior processing, through the size and distribution of the microalloy precipitates and the presence of retained work hardening. In this article, the parameters of the Bauschinger effect and work hardening (coefficient and exponent) in forward and reverse deformations were quantitatively related to the particle number density and dislocation density for two high-strength low-alloy (HSLA) steels. An example of the application of the obtained dependences is discussed with respect to the strength development during UOE forming of large diameter line pipes.     

Peptide-Driven Targeted Drug-Delivery System Comprising Turn-On Near-Infrared Fluorescent Xanthene–Cyanine Reporter for Real-Time Monitoring of Drug Release

Targeted drug delivery (TDD) is an efficient strategy for cancer treatment. However, the real-time monitoring of drug delivery is still challenging because of a pronounced lack of TDD systems capable of providing a near-infrared (NIR) fluorescence signal for the detection of drug-release events. Herein, a new TDD system, comprising a turn-on NIR fluorescent reporter attached to an anticancer drug and targeting peptide, is reported. This system provides both TDD and NIR fluorescence monitoring of drug-release events in target tissue. In this TDD system, a new carboxy-derivatized xanthene–cyanine (XCy) dye is attached to an anticancer drug, chlorambucil (CLB), through a hydrolytically cleavable ester linker and coupled to a targeting peptide, octreotide amide (OCTA), which is specific to somatostatin receptors SSTR-2 and STTR-5 overexpressed on many tumor cells. This OCTA-G-XCy-CLB (G: γ-aminobutyric acid) conjugate exhibits no detectable fluorescence, whereas, upon the hydrolytic cleavage of the ester linker, a bright NIR fluorescence appears at λ≈710 nm; this signals release of the drug. Real-time TDD monitoring is demonstrated for the example of the human pancreatic cancer cell line overexpressing SSTR-2 and STTR-5, in comparison with the noncancerous Chinese hamster ovary cell line, which contains a reduced number of these receptors.     

Simulation of thermal state of containers with spent nuclear fuel: multistage approach

The safe thermal conditions of spent nuclear fuel storage are the important component of complex safety of the dry spent nuclear fuel storage facility. The multistage approach for numerical definition of thermal fields in storage containers with spent fuel assemblies is proposed. The approach is based on solving of the series of the conjugate heat transfer problems with different geometrical detailing. The developed approach is used for estimation of thermal state of ventilated containers with spent nuclear fuel of WWER‐1000 reactors of Zaporizhska nuclear power plant. The results of the thermal calculations for single‐placed container on open‐site storage platform were presented. The safety of containers usage in normal and extreme ambient temperatures was proven. Copyright © 2015 John Wiley & Sons, Ltd.