1,392 research outputs found

    Semantic annotation services for 3D models of cultural heritage artefacts

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    Real value prediction of protein solvent accessibility using enhanced PSSM features

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    <p>Abstract</p> <p>Background</p> <p>Prediction of protein solvent accessibility, also called accessible surface area (ASA) prediction, is an important step for tertiary structure prediction directly from one-dimensional sequences. Traditionally, predicting solvent accessibility is regarded as either a two- (exposed or buried) or three-state (exposed, intermediate or buried) classification problem. However, the states of solvent accessibility are not well-defined in real protein structures. Thus, a number of methods have been developed to directly predict the real value ASA based on evolutionary information such as position specific scoring matrix (PSSM).</p> <p>Results</p> <p>This study enhances the PSSM-based features for real value ASA prediction by considering the physicochemical properties and solvent propensities of amino acid types. We propose a systematic method for identifying residue groups with respect to protein solvent accessibility. The amino acid columns in the PSSM profile that belong to a certain residue group are merged to generate novel features. Finally, support vector regression (SVR) is adopted to construct a real value ASA predictor. Experimental results demonstrate that the features produced by the proposed selection process are informative for ASA prediction.</p> <p>Conclusion</p> <p>Experimental results based on a widely used benchmark reveal that the proposed method performs best among several of existing packages for performing ASA prediction. Furthermore, the feature selection mechanism incorporated in this study can be applied to other regression problems using the PSSM. The program and data are available from the authors upon request.</p

    The design and investigation of nanocomposites containing dimeric nematogens and liquid crystal gold nanoparticles with plasmonic properties showing a nematic-nematic phase transition (Nᵤ-Nₓ/Ntb)

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    The construction of liquid crystal compositions consisting of the dimeric liquid crystal, CB_C9_CB (cyanobiphenyl dimer = 1",9"-bis(4-cyanobiphenyl-4'-yl)nonane), and the range of nematic systems is explored. The materials include a laterally functionalized monomer, which was used to construct a phase diagram with CB_C9_CB, as well as one laterally linked dimer liquid crystal material and two liquid crystal gold nanoparticle (LC-Au-NPs) systems. For the Au-NP-LCs, the NP diameters were varied between ~3.3 nm and 10 nm. Stable mixtures that exhibit a nematic-nematic phase transition are reported and were investigated by POM (polarizing optical microscopy), DSC (differential scanning calorimetry) and X-ray diffraction studies

    Beyond the Innovation: An Exploratory Study of Designing Web-based Self-services

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    AbstractCustomized web-based self-services play an important role in today's product/service innovation. Compared to traditional tangible services, helpful web-based self-services and off-line services may better facilitate creativity, accelerate value co-creation, and reduce the costs and risks of development and commercialization. Therefore, in order to offer a conceptual framework for a web-based self-service system that enhances the fuzzy-front end (FFE) of new product/service development, this study analyzed the needs and challenges found during the transition of the Dechnology (Design Thinking plus Technology Innovation) project at the Industrial Technology Research Institute (ITRI), the largest R&D organization in Taiwan. Through literature review, in-depth interviews, and participatory action research, we formalized five core system modules, including: 1) user behavior and lifestyle, 2) thematic trend analysis, 3) technology screening and translation, 4) idea visualization, and 5) O2O service connection, with corresponding design principles for supporting user creativity in a web-based self-services environment. Finally, this study proposes a conceptual framework integrated with service design to serve as an important reference for enterprises that undergo similar innovation projects in the future
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