Orientational relationship among main and side chains of a polyimide alignment layer, liquid crystals monolayer and bulk pretilt angle

We have determined the orientational distribution of cyano-substituted side chains of a rubbed polyimide film, and a liquid crystal monolayer adsorbed on the film, by means of optical second harmonic generation. With the orientational distribution of a main chain that was measured in a previous study by means of near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, we have obtained the correlation of all the orientational distributions contributing to the alignment of LC molecules, i.e. pretilt angle. We find that the side chain plays a role in increasing the pretilt angle, but in the case of rubbing strength dependence, the main chain has stronger correlation with the pretilt angle than has the side chain.     

Synthesis of various stimuli‐responsive gradient copolymers by living cationic polymerization and their thermally or solvent induced association behavior

Stimuli‐responsive gradient copolymers, composed of various monomers, were synthesized by living cationic polymerization in the presence of base. The monomers included thermosensitive 2‐ethoxyethyl vinyl ether (EOVE) and 2‐methoxyethyl vinyl ether (MOVE), hydrophobic isobutyl vinyl ether (IBVE) and 2‐phenoxyethyl vinyl ether (PhOVE), crystalline octadecyl vinyl ether (ODVE), and hydrophilic 2‐hydroxyethyl vinyl ether (HOVE). The synthesis of gradient copolymers was conducted using a semibatch reaction method. Living cationic polymerization of the first monomer was initiated using a conventional syringe technique, followed by an immediate and continuous addition of a second monomer using a syringe pump at regulated feed rates. This simple method permitted precise control of the sequence distribution of gradient copolymers, even for a pair of monomers with very different relative monomer reactivities. The stimuli‐responsive gradient, block and random copolymers exhibited different self‐association behavior. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 6444–6454, 2008     

Computation of transition to turbulence in the compression stage of a reciprocating engine

The transition to turbulent flow in the compression stage of a reciprocating engine is studied by obtaining the finite-difference numerical solutions to the governing Navier-Stokes equations without using explicit turbulence models. A computational method is developed under the assumption that the flow is in a low-subsonic regime with strong compression. The numerical method is a simple extension of the well known MAC method. Computations were performed for three different chamber geometries at the engine speed of 1400 rpm. The results of the computations clearly demonstrate the transient process in which large tumbling vortices break down into smaller ones near the end of the compression process. The transition process is also caught experimentally by using Mach-Zehnder interferometry.     

Synthesis and characterization of surrogate nuclear explosion debris: urban glass matrix

Journal of Radioanalytical and Nuclear Chemistry - We report a study of a fast radiochemical method to determine the activity of 131I via the radiochemical recovery obtained with a 129I tracer....     

Computational study on the comparative synthesis of energetic FOX‐7 derivatives

Ethene and two kinds of nitrating reagents (HNO₃ and N₂O₅) were included in respective molecular systems, which progressed through a two‐stage electrophilic and free radical nitrosubstitution, resulting in the corresponding nitroethene compounds. Subsequent halogenation (using Cl₂ and Br₂) and amination (using ammonia) were then performed, also by electrophilic and radical substitution, to produce the target 1,1‐diamino‐2,2‐dinitroethene (FOX‐7) derivatives. All transition state species were identified using a two‐ or three‐structure Synchronous Transit‐Guided Quasi‐Newton between the Cartesian coordinates of the related molecular systems at specific reaction stages. The modeling results suggest that N₂O₅ is the better agent for nitration and bromine is suitable for use in halogenation. The comparable activation energies throughout the reaction stages were considered to imply the most feasible pathways of FOX‐7 synthesis. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

Parameters affecting the separation of intact proteins in gradient-elution reversed-phase chromatography using poly(styrene-co-divinylbenzene) monolithic capillary columns

An experimental study was performed to investigate the effects of column parameters and gradient conditions on the separation of intact proteins using styrene-based monolithic columns. The effect of flow rate on peak width was investigated at constant gradient steepness by normalizing the gradient time for the column hold-up time. When operating the column at a temperature of 60 °C a small C-term effect was observed in a flow rate range of 1–4 μL/min. However, the C-term effect on peak width is not as strong as the decrease in peak width due to increasing flow rate. The peak capacity increased according to the square root of the column length. Decreasing the macropore size of the polymer monolith while maintaining the column length constant, resulted in an increase in peak capacity. A trade-off between peak capacity and total analysis time was made for 50, 100, and 250 mm long monolithic columns and a microparticulate column packed with 5 μm porous silica particles while operating at a flow rate of 2 μL/min. The peak capacity per unit time of the 50 mm long monolithic column with small pore size was superior when the total analysis time is below 120 min, yielding a maximum peak capacity of 380. For more demanding separations the 250 mm long monolith provided the highest peak capacity in the shortest possible time frame.     

Measurement of angular distribution of soft X‐ray radiation from thin targets in the tabletop storage ring MIRRORCLE‐20SX

The only available tabletop electron storage rings are the machines from the MIRRORCLE series. The electrons are accelerated in a microtron and injected into the storage ring. During its circulation, each electron passes through a tiny target many times, emitting a photon beam. Both the spectrum and the angular distribution of the radiation depend on the material, the thickness and the shape of the target. In this paper measured angular distributions of the radiation from several different targets in the magnetic field of the 20 MeV storage ring MIRRORCLE‐20SX are presented. The detector comprises a 3 mm × 3 mm × 8.5 µm plastic scintillator (PS) coupled to a photomultiplier by a bundle of optical fibers. The output of the photomultiplier is digitized by an IF converter. This detector is sensitive mostly to soft X‐ray radiation, and its PS is moved by a mechanical system in a plane perpendicular to the radiation axis. The measured angular distributions for Mo and Sn targets contain an annulus which is attributed to transition radiation. The angular distributions for Al, carbon nanotube and diamond‐like carbon (DLC) targets show some suppression of the radiation along the magnetic field. This is the first evidence of observation of the angular distribution of synchrotron Cherenkov radiation, which represents Cherenkov radiation in a magnetic field. The power radiated from the DLC target is estimated.     

Real-time holography in ruthenium-doped bismuth sillenite crystals at 1064 nm

Real-time holographic recording and an improvement of the response time in ruthenium (Ru)-doped Bi(12)SiO(20) (BSO) crystal at 1064 nm is obtained. Using green light pre-exposure, a significant operation speed of 60 ms is achieved. In addition, the ability for image reconstruction is demonstrated in Ru-doped BSO, supporting further applications as reversible media for real-time image processing at the near-IR spectral range.     

Using phase-type models to cost stroke patient care across health,social and community services

Stroke disease places a heavy burden on society, incurring long periods of time in hospital and community care, and associated costs. Also stroke is a highly complex disease with diverse outcomes and multiple strategies for therapy and care. Previously a modeling framework has been developed which clusters patients into classes with respect to their length of stay (LOS) in hospital. Phase-type models were then used to describe patient flows for each cluster. Also multiple outcomes, such as discharge to normal residence, nursing home, or death can be permitted. We here add costs to this model and obtain the Moment Generating Function for the total cost of a system consisting of multiple transient phase-type classes with multiple absorbing states. This system represents different classes of patients in different hospital and community services states. Based on stroke patients’ data from the Belfast City Hospital, various scenarios are explored with a focus on comparing the cost of thrombolysis treatment under different regimes. The overall modeling framework characterizes the behavior of stroke patient populations, with a focus on integrated system-wide costing and planning, encompassing hospital and community services. Within this general framework we have developed models which take account of patient heterogeneity and multiple care options. Such complex strategies depend crucially on developing a deep engagement with the health care professionals and underpinning the models with detailed patient-specific data.