An Indexation and Discovery Architecture for Semantic Web Services and its Application in Bioinformatics

Recently much research effort has been devoted to the discovery of relevant Web services. It is widely recognized that adding semantics to service description is the solution to this challenge. Web services with explicit semantic annotation are called Semantic Web Services (SWS). This research proposes an indexation and discovery architecture for SWS, together with a prototype application in the area of bioinformatics. In this approach, a SWS repository is created and maintained by crawling both ontology-oriented UDDI registries and Web sites that hosting SWS. For a given service request, the proposed system invokes the matching algorithm and a candidate set is returned with different degree of matching considered. This approach can add more flexibility to the current industry standards by offering more choices to both the service requesters and publishers. Also, the prototype developed in this research shows the value can be added by using SWS in application areas such as bioinformatics

BMI-for-age graphs with severe obesity percentile curves: Tools for plotting cross-sectional and longitudinal youth BMI data

Abstract Background Severe obesity is an important and distinct weight status classification that is associated with disease risk and is increasing in prevalence among youth. The ability to graphically present population weight status data, ranging from underweight through severe obesity class 3, is novel and applicable to epidemiologic research, intervention studies, case reports, and clinical care. Methods The aim was to create body mass index (BMI) graphing tools to generate sex-specific BMI-for-age graphs that include severe obesity percentile curves. We used the Centers for Disease Control and Prevention youth reference data sets and weight status criteria to generate the percentile curves. The statistical software environments SAS and R were used to create two different graphing options. Results This article provides graphing tools for creating sex-specific BMI-for-age graphs for males and females ages 2 to <20 years. The novel aspects of these graphing tools are an expanded BMI range to accommodate BMI values ˃35 kg/m2, inclusion of percentile curves for severe obesity classes 2 and 3, the ability to plot individual data for thousands of children and adolescents on a single graph, and the ability to generate cross-sectional and longitudinal graphs. Conclusions These new BMI graphing tools will enable investigators, public health professionals, and clinicians to view and present youth weight status data in novel and meaningful ways

Solution-processing of semiconducting organic small molecules:What we have learnt from 5,11-bis(triethylsilylethynyl)anthradithiophene

Organic semiconducting small molecules have attracted increasing interest over the last decades because of their versatile, tunable optoelectronic properties and, e.g., the ease they can be purified compared to polymeric systems. Hence, over the past few decades, a large number of small molecules, such as acenes and thiophenes, have been explored for use in semiconducting devices such as thin-film transistors. However, many of these materials can adopt various molecular arrangements, producing polymorphic structures. As a result, the same material can display vastly different optoelectronic properties. This can, in many cases, lead to a large spread of device performances. Hence, it is critical to establish knowledge- and characterization libraries towards relevant structure/processing/performance interrelations to further advance this interesting class of materials and to open new application platforms. Here, we discuss processing strategies and methodologies that allow the control and assessment of polymorph formation in semiconducting small molecules using 5,11-bis(triethylsilylethynyl)anthradithiophene (TES ADT) as a model material system. We revise how a window into the complex phase behavior of semiconducting small molecules can be obtained, how specific polymorphs can be induced, and how post-deposition treatments can be exploited. Moreover, we illustrate pathways towards patterned structures as needed to fully exploit the touted potential of this interesting class of semiconductors

Composite Stacked Organic Semiconductors: Materials and Processing Towards Large Area Organic Electronics

Over the last three decades, organic semiconductors, both polymeric and small-molecule compounds, have raised significant interest in academia and industry in view of the attractive combination of their versatile optoelectronic properties, lightness, flexibility and potential for low-cost and straight-forward manufacturing that makes them a valid alternative to conventional inorganic semiconductors. Thereby, 6,13-bis(triisopropylsilylethynyl) (TIPS) pentacene and other pentacene and anthradithiophene derivatives are interesting candidate materials for electronic applications such as organic field-effect transistors (OFETs) as they feature highly promising device performance and offer the possibility of processing them from solution, originating from their good solubility in common solvents. However, the small-molecule nature of these compounds often renders the control of the solid-state morphology of architectures deposited from solution challenging, thus, resulting in low reproducibility of their transistor characteristics. This thesis explores possible pathways to control the thin-film microstructure of such small molecules. By doing so, we aim to provide model systems that permit the elucidation of relevant electronic processes in these materials and to provide architectures for future technological exploitation. A thorough analysis is presented including the influence of the selection of solvent, casting temperature, coating techniques and the presence of small-molecular additives on the morphology of such semiconducting small-molecule thin films. Various strategies for chemical modification of TIPS pentacene are also discussed with focus of the effect of sidechain substitution on the electronic properties of the resulting architectures. Furthermore, investigations into the supramolecular arrangements that can be realised with some of those low-molecular-weight materials are presented and how this affects their optoelectronic features

A fast and reliable numerical method for analyzing loaded rolling element bearing displacements and stiffness

The load-displacement relation for rolling element bearing is a system of nonlinear algebraic equations describing the relationship of bearing forces and displacements needed to compute the bearing stiffness. The computed bearing stiffness is typically employed to represent the bearing effect when modeling the whole geared rotor system to optimize the system parameters to minimize the unwanted vibrations. In this study, a robust numerical scheme called the energy method is developed and applied to solve for the bearing displacements from the potential energy of the bearing system instead of solving these nonlinear algebraic equations using the classical numerical integration. The proposed energy method is based on seeking the minimal potential energy derived from the theory of elasticity that describes the potential energy as a function of the displacements of inner ring of rolling bearing relative to the housing support structure. Therefore, solving the system of nonlinear algebraic equations is converted into solving a global optimization problem in which the potential energy term is the objective function. The global optimization algorithm produces the bearing displacements that make the potential energy function of bearing system minimum. Parameter studies for bearing stiffness as the explicit expressions of bearing displacements are conducted with the varying unloaded contact angles and the varying orbital positions of rolling elements. The analysis applying the energy method is shown to yield the correct solution efficiently and reliably

Thermally Activated in Situ Doping Enables Solid-State Processing of Conducting Polymers

Free-standing bulk structures encompassing highly doped conjugated polymers are currently heavily explored for wearable electronics as thermoelectric elements, conducting fibers, and a plethora of sensory devices. One-step manufacturing of such bulk structures is challenging because the interaction of dopants with conjugated polymers results in poor solution and solid-state processability, whereas doping of thick conjugated polymer structures after processing suffers from diffusion-limited transport of the dopant. Here, we introduce the concept of thermally activated latent dopants for in situ bulk doping of conjugated polymers. Latent dopants allow for noninteractive coprocessing of dopants and polymers, while thermal activation eliminates any thickness-dependent diffusion and activation limitations. Two latent acid dopants were synthesized in the form of thermal acid generators based on aryl sulfonic acids and an o-nitrobenzyl capping moiety. First, we show that these acid dopant precursors can be coprocessed noninteractively with three different polythiophenes. Second, the polymer films were doped in situ through thermal activation of the dopants. Ultimately, we demonstrate that solid-state processing with a latent acid dopant can be readily carried out and that it is possible to dope more than 100 μm-thick polymer films through thermal activation of the latent dopant

Sequential doping of solid chunks of a conjugated polymer for body-heat-powered thermoelectric modules

Sequential doping of 1 mm3 sized cubes of regio-regular poly(3-hexylthiophene) (P3HT) with 2,3,5,6-tetrafluoro-tetracyanoquinodimethane is found to result in a doping gradient. The dopant ingresses into the solid material and after two weeks of sequential doping yields a 250 μm thick doped surface layer, while the interior of the cubes remains undoped. The doping gradient is mapped with energy dispersive x-ray spectroscopy (EDX), which is used to estimate a diffusion coefficient of 1 7 10-10 cm2 s-1 at room temperature. The cubes, prepared by pressing at 150 \ub0C, feature alignment of polymer chains along the flow direction, which yields an electrical conductivity of 2.2 S cm-1 in the same direction. A 4-leg thermoelectric module was fabricated with slabs of pressed and doped P3HT, which generated a power of 0.22 μW for a temperature gradient of 10.2 \ub0C generated by body heat

Semiconducting nonperovskite ferroelectric oxynitride designed ab initio

Recent discovery of HfO2-based and nitride-based ferroelectrics that are compatible to the semiconductor manufacturing process have revitalized the field of ferroelectric-based nanoelectronics. Guided by a simple design principle of charge compensation and density functional theory calculations, we discover HfO2-like mixed-anion materials, TaON and NbON, can crystallize in the polar Pca21 phase with a strong thermodynamic driving force to adopt anion ordering spontaneously. Both oxynitrides possess large remnant polarization, low switching barriers, and unconventional negative piezoelectric effect, making them promising piezoelectrics and ferroelectrics. Distinct from HfO2 that has a wide band gap, both TaON and NbON can absorb visible light and have high charge carrier mobilities, suitable for ferroelectric photovoltaic and photocatalytic applications. This new class of multifunctional nonperovskite oxynitride containing economical and environmentally benign elements offer a platform to design and optimize high-performing ferroelectric semiconductors for integrated systems

Energy harvesting textiles for a rainy day: woven piezoelectrics based on melt-spun PVDF microfibres with a conducting core

Recent advances in ubiquitous low-power electronics call for the development of light-weight and flexible energy sources. The textile format is highly attractive for unobtrusive harvesting of energy from e.g., biomechanical movements. Here, we report the manufacture and characterisation of fully textile piezoelectric generators that can operate under wet conditions. We use a weaving loom to realise textile bands with yarns of melt-spun piezoelectric microfibres, that consist of a conducting core surrounded by β-phase poly(vinylidene fluoride) (PVDF), in the warp direction. The core-sheath constitution of the piezoelectric microfibres results in a—for electronic textiles—unique architecture. The inner electrode is fully shielded from the outer electrode (made up of conducting yarns that are integrated in the weft direction) which prevents shorting under wet conditions. As a result, and in contrast to other energy harvesting textiles, we are able to demonstrate piezoelectric fabrics that do not only continue to function when in contact with water, but show enhanced performance. The piezoelectric bands generate an output of several volts at strains below one percent. We show that integration into the shoulder strap of a laptop case permits the continuous generation of four microwatts of power during a brisk walk. This promising performance, combined with the fact that our solution uses scalable materials and well-established industrial manufacturing methods, opens up the possibility to develop wearable electronics that are powered by piezoelectric textiles

Effects of Aromatic Ammoniums on Methyl Ammonium Lead Iodide Hybrid Perovskite Materials

The introduction of bulky ammoniums into methyl ammonium lead iodide hybrid perovskites (MAPbI3) has emerged as a promising strategy to improve the properties of these materials. In the present work, we studied the effects of several aromatic ammoniums onto the structural, electronic, and optical properties of MAPbI3. Although powder XRD data suggest that the bulky cations are not involved in the bulk phase of the MAPbI3, a surprisingly large effect of the bulky cations onto the photoluminescence properties was observed