The effect of backbone fluorination on the carrier mobility in alkoxy and alkyl substituted conducting polymers of the poly(phenylenevinylene) type

Summary We report the synthesis of some new backbone fluorinated polymers of the poly(phenylenevinylene) type. The new polymers were characterised by NMR, SEC and X-ray powder diffraction. The charge carrier mobilities were determined using pulse radiolysis time resolved microwave conductivity (PR-TRMC) and the carrier mobilities were compared to the similar non-fluorinated analogues. The changes in charge carrier mobilities as a function of molecular substitution pattern is discussed in terms of other materials properties such as electronic structure and absorption properties. The major result is that it was found possible for this type of material to alter the electronic energy levels by molecular substitution without imparting significant changes in the magnitude of the charge carrier mobilities and the optical properties.     

The Danish Twin Apartment Study – Part II: Mathematical modeling of the relative strength of sources of indoor air pollution

Abstract This study deals with the modeling of air pollution in apartments from laboratory measurements of source strengths, using formaldehyde and Total Volatile Organic Compounds (TVOCs) as model pollutants. The sources in two test apartments were grouped into two: building-related sources and occupant-related sources. The measured source strengths and ventilation rates were used for the prediction of concentrations expected in the apartments. These predictions were compared to measurements in the apartment over 12 months. The conclusions were that the model predictions based on emission rates measured in the laboratory can be used to predict the long-term concentration of the two model pollutants in the apartments. Considering the measured differences in ventilation between the apartments, an occupant emission rate of between 0.2 and 0.3 mg/h/kg body weight could be estimated. Based on previous suggested limits of acceptable exposures of humans to VOCs, an acceptable average emission rate of VOCs from building materials in general was estimated to be about 30 (μ/m²/h. The modeling showed that during the first 200 days, building materials dominated the emissions. After this, sources relating to the occupants dominated. On average about half of the VOC pollution originated from the building materials.     

Biomimetic Polymer Nanostructures by Injection Molding

The nanometer scale topography of self‐assembling structural protein complexes in animals is believed to induce favorable cell responses. An important example of such nanostructured biological complexes is fibrillar collagen that possesses a cross‐striation structure with a periodicity of 69 nm and a peak‐to‐valley distance of 4–6 nm. Bovine collagen type I was assembled into fibrillar structures in vitro and sedimented onto solid supports. Their structural motif was transferred into a nickel replica by physical vapor deposition of a small‐grained metal layer followed by galvanic plating. The resulting inverted nickel structure was found to faithfully present most of the micrometer and nanometer scale topography of the biological original. This nickel replica was used as a die for the injection molding of a range of different thermoplastic polymers. Total injection molding cycle times were in the range of 30–45 seconds. One of the polymer materials investigated, polyethylene, displayed poor replication of the biological nanotopographical motif. However, the majority of the polymers showed very high replication fidelity as witnessed by their ability to replicate the cross‐striation features of less than 5 nm height difference. The latter group of materials includes poly(propylene), poly(methyl methacrylate), poly(L ‐lactic acid), polycaprolactone, and a copolymer of cyclic and linear olefins (COC). This work suggests that the current limiting factor for the injection molding of nanometer scale topography in thermoplastic polymers lies with the grain size of the initial metal coating of the mold rather than the polymers themselves.

     

Molecular thermodynamics of solutions in the normal and critical regions — II. Activity coefficients for the ArN2, C2H6C2H4 and C3H6CO2 systems

Activity coefficients for the ArN₂, C₂H₆C₂H₄, and C₃H₆CO₂ systems are calculated from published vapour-liquid equilibrium compositions at various pressures and temperatures. The activity coefficients are correlated using a two parameter model based on the principles of molecular thermodynamics. The method is used both in the normal liquid and critical regions. The parameters of the model are shown to be reasonably independent of the temperature for the three systems.     

Discovering episodes with compact minimal windows

Discovering the most interesting patterns is the key problem in the field of pattern mining. While ranking or selecting patterns is well-studied for itemsets it is surprisingly under-researched for other, more complex, pattern types. In this paper we propose a new quality measure for episodes. An episode is essentially a set of events with possible restrictions on the order of events. We say that an episode is significant if its occurrence is abnormally compact, that is, only few gap events occur between the actual episode events, when compared to the expected length according to the independence model. We can apply this measure as a post-pruning step by first discovering frequent episodes and then rank them according to this measure. In order to compute the score we will need to compute the mean and the variance according to the independence model. As a main technical contribution we introduce a technique that allows us to compute these values. Such a task is surprisingly complex and in order to solve it we develop intricate finite state machines that allow us to compute the needed statistics. We also show that asymptotically our score can be interpreted as a $P$ value. In our experiments we demonstrate that despite its intricacy our ranking is fast: we can rank tens of thousands episodes in seconds. Our experiments with text data demonstrate that our measure ranks interpretable episodes high.     

Constrained regression in chemical engineering practice

Absolute equality constraints in multiple regression are shown to introduce only minor modifications in the normal equations by a subset of the regression parameters. It is essential that these are ordered such that the subset is observable through the constraints. The constraints are shown to give greater residuals about the regression, but the precision in the parameter estimation is improved.In general power function curve fitting, a quadratically convergent iterative computation of the optimal exponents uses the normal equations as equality constraints. The correlations between the coefficients and the exponents in a sum of power functions become very high, when the number of terms increases such that their individual observability is being greatly reduced. The effect is shown to be a very poor precision in the parameter estimation and a heavy oscillation in the coefficients.The algorithms suggested are illustrated by curve fitting of some binary equilibrium data, where the relative volatility model gives a superior fit to the data.     

Chloroquine treatment for uncomplicated childhood malaria in an area with drug resistance: early treatment failure aggravates anaemia

Using the polymerase chain reaction (PCR) and two primers for conserved regions of the small subunit ribosomal RNA (SSU-rRNA) of Microsporidia, a DNA segment about 1,195 base pairs long was amplified from a DNA template prepared from purified spores of the microsporidian species Pleistophora anguillarum. These spores had been isolated from adult eels (Anguilla japonica) with "Beko Disease." A comparison of sequence data from other microsporidian species showed P. anguillarum SSU-rRNA to be most similar to Vavraia oncoperae. When juvenile eels were artificially infected with P. anguillarum, enzyme-linked immunosorbent assay could detect a positive infection only 12 days post-infection. However, when suitable PCR primers were used, a DNA fragment of about 0.8 kb was detected from these juvenile eels after only 3 days post infection. No PCR product was obtained with templates prepared from clinically healthy control animals.     

Transmission electron microscopy study of a dental gallium alloy

Analytical transmission electron microscopy (TEM) studies of a dental gallium alloy have been carried out. This commercial Ga alloy was made by triturating a Ag-Sn-Cu-rich alloy powder with a liquid Ga alloy containing Ga, In and Sn. Ga alloys are of increasing interest as an alternative to amalgam. The dental material studied in the present work was found to be a composite consisting of remaining, undissolved particles from the Ag-based alloy powder in a matrix of reaction products with the liquid Ga alloy. The phases in the matrix and the remaining Ag-based alloy particles have been identified by electron diffraction, high resolution electron microscopy and energy dispersive X-ray spectroscopy. the following phases were identified: orthorhombic Ag₃Sn, cubic -Cu₉Ga₄, cubic Ag₉In₄, tetragonal -Sn and hexagonal Ag₂Ga. In addition to these well-known phases Ga-rich regions of Cu-Ga were observed consisting of an intergrowth of the tetragonal CuGa₂ and one of the cubic -Cu₉Ga₄ phases.