Quasicontinuum representations of atomic-scale mechanics: From proteins to dislocations

Computation is one of the centerpieces of both the physical and biological sciences. A key thrust in computational science is the explicit mechanistic simulation of the spatiotemporal evolution of materials ranging from macromolecules to intermetallic alloys. However, our ability to simulate such systems is in the end always limited in both the spatial extent of the systems that are considered, as well as the duration of the time that can be simulated. As a result, a variety of efforts have been put forth that aim to finesse these challenges in both space and time through new techniques in which constraint is exploited to reduce the overall computational burden. The aim of this review is to describe in general terms some of the key ideas that have been set forth in both the materials and biological setting and to speculate on future developments along these lines. We begin by developing general ideas on the exploitation of constraint as a systematic tool for degree of freedom thinning. These ideas are then applied to case studies ranging from the plastic deformation of solids to the interactions of proteins and DNA

Entwicklung einer multimedialen Online-Lernplattform am Beispiel Leichtathletik

In dieser Diplomarbeit werden einerseits die theoretischen Grundlagen, Trainingsmodelle und –konzepte, notwendige Fähigkeiten für den Leichtathletiksport, Lehrwege u.v.a.m. der leichtathletischen Disziplinen Hürdenlauf, Hochsprung, Weitsprung, Kugelstoß und Speerwurf beleuchtet und die aktuelle Situation in Österreich begutachtet. Auch der Stellenwert der Leichtathletik im österreichischen Schulsport, wird in diesem Teil der wissenschaftlichen Arbeit erklärt. Bei den Recherchen zur Diplomarbeit hat sich die Frage nach den Möglichkeiten, die LehrerInnen haben, Leichtathletik in ihren Unterrichtsstunden didaktisch richtig und ansprechend zu vermitteln, herauskristallisiert. Andererseits wurde eine multimediale Online-Lernplattform erstellt, die es interessierten Personen ermöglichen soll, einen tiefen Einblick in die Materie Leichtathletik zu erhalten. Auf dieser Plattform werden sowohl die theoretischen Grundlagen zu jeder Disziplin beschrieben als auch praktische Übungskataloge angeboten. Die Übungen werden durch Foto- und Videomaterial ergänzt. Die Online-Lernplattform ist unter http://ospinf.casc.at zu finden

The use of embolic signal detection in multicenter trials to evaluate antiplatelet efficacy: signal analysis and quality control mechanisms in the CARESS (Clopidogrel and Aspirin for Reduction of Emboli in Symptomatic carotid Stenosis) trial

<p><b>Background and Purpose:</b> The CARESS (Clopidogrel and Aspirin for Reduction of Emboli in Symptomatic carotid Stenosis) trial proved the effectiveness of the combination of clopidogrel and aspirin compared with aspirin alone in reducing presence and number of microembolic signals (MES) in patients with recently symptomatic carotid stenosis. The present study aimed at installing primary and secondary quality control measures in CARESS because MES evaluation relies on subjective judgment by human experts.</p> <p><b>Methods:</b> As primary quality control, centers participating in CARESS evaluated a reference digital audio tape (DAT) before the study containing both MES and artifacts. Interobserver agreement of classifying signals as MES was expressed as proportions of specific agreement of positive ratings (ps±values). For all DATs included in CARESS (n=300), online number of MES and off-line number of MES read by the central reader were compared using correlation coefficients. As secondary control, a sample of 16 of 300 DATs was cross-validated by another independent reader (post-trial validator).</p> <p><b>Results:</b> For the reference tape, the cumulative ps±value was 0.894 based on 12 of 14 observers. Two observers with very different results improved after a training procedure. Agreement between post-trial validator and central reader was ps+=0.805, indicating very good agreement. Correlation between online evaluation and off-line evaluation of DATs was very good overall (cumulative ρ=0.84; P<0.001).</p> <p><b>Conclusion:</b> Multicenter studies using MES as outcome parameter are feasible. However, primary and secondary quality control procedures are important.</p&gt

Stakeholders, Roles, Workflows and Requirements

Decisions makers in cities and urban areas continuously have to make important decisions to react or proactively identify new challenges, problems and conflicts. But as cities and urban areas have become more complex, well‐founded decisions have also become more difficult to make. Decisions cannot be purely based on intuitions but require a basis for assessments, which put great constraints on decision makers and decision making procedures in terms of expertise and knowledge. New technology and sources of information can, however, support decision makers and facilitate the decision making procedures, but at the moment these possibilities are not being leveraged to a greater extent in urban governance

Fertility preservation in women—a practical guide to preservation techniques and therapeutic strategies in breast cancer, Hodgkin's lymphoma and borderline ovarian tumours by the fertility preservation network FertiPROTEKT

Purpose: Fertility preservation methods are playing an increasing role in women up to the age of 40years because of rising survival rates in those affected by cancer. However, balanced practical recommendations concerning all relevant fertility preservation, to support doctors in counselling and treating patients, are still rare. Methods: These recommendations were prepared by the network FertiPROTEKT ( http://www.fertiprotect.eu ), a collaboration of around 70 centres in Germany, Switzerland and Austria. The recommendations were developed by specialists in reproductive medicine, reproductive biology and oncology, which gave a comprehensive overview of all named techniques as well as their benefits and risks. Furthermore, practice-orientated recommendations for the individual use of fertility preservation methods for various indications such as breast cancer, Hodgkin's lymphoma and borderline ovarian tumours are given. Results: Various options such as ovarian stimulation and cryopreservation of unfertilised or fertilised oocytes, cryopreservation and transplantation of ovarian tissue, GnRH-agonist administration and transposition of the ovaries can be offered. All the techniques can be performed alone or in combination within a maximum of 2weeks with low risk and different success rates. Conclusions: Fertility preservation in women has become an option with realistic chances to become pregnant after cytotoxic therapies. The information provided allows a well balanced and realistic counselling and treatmen

Magnetron deposition of TCO films using ion beam

Thin films of tin oxide (TO) were deposited on the glass substrates at room temperature using reactive magnetron sputtering at various oxygen partial pressures. After the deposition the films were irradiated with argon ions beam. The change of the optical and electrical properties of the films depending on the irradiation time was studied. Films optical properties in the range of 300-1100 nm were investigated by photometry as well as their structural properties were studied using X-ray diffraction. Diffractometric research showed that the films, deposited on a substrate, have a crystal structure, and after argon ions irradiation they become quasi-crystalline (amorphous). It was found that the transmission increases proportionally with the irradiation time, but the surface resistance -disproportionally

Simultaneous Mass Spectrometry-Based Apolipoprotein Profiling and Apolipoprotein E Phenotyping in Patients with ASCVD and Mild Cognitive Impairment

Apolipoprotein E (apoE) occurs on the majority of plasma lipoproteins and plays a major role in the lipid metabolism in the periphery and in the central nervous system. ApoE is a polymorphic protein with three common isoforms, apoE2, apoE3 and apoE4, derived from respective alleles '2, '3 and '4. The aim of this study was to develop a sample pretreatment protocol combined with rapid mass spectrometry (MS)-based assay for simultaneous apolipoprotein profiling and apoE phenotype identification. This assay was validated in 481 samples from patients with stable atherosclerotic cardiovascular disease (ASCVD) and applied to study association with mild cognitive impairment (MCI) in the LIFE Adult study, including overall 690 study subjects. Simultaneous quantification of 8–12 major apolipoproteins including apoA-I, apoB-100 and apoE could be performed within 6.5 min. Phenotyping determined with the developed MS assay had good agreement with the genotyping by real-time fluorescence PCR (97.5%). ApoE2 isoform was associated with the highest total apoE concentration compared to apoE3 and apoE4 (p < 0.001). In the subgroup of diabetic atherosclerotic cardiovascular disease (ASCVD) patients, apoE2 isoform was related to higher apoC-I levels (apoE2 vs. apoE3, p < 0.05), while in the subgroup of ASCVD patients under statin therapy apoE2 was related to lower apoB-100 levels (apoE2 vs. apoE3/apoE4, p < 0.05). A significant difference in apoE concentration observed between mild cognitive impairment (MCI) subjects and controls was confirmed for each apoE phenotype. In conclusion, this study provides evidence for the successful implementation of an MS-based apoE phenotyping assay, which can be used to assess phenotype effects on plasma lipid and apolipoprotein levels

Создание функциональной керамики на основе оксинитридов алюминия и кремния

Объектом исследования является керамика на основе оксида алюминия, оксида кремния, диоксида циркония, нитрида бора, нитрида кремния. Целью работы является исследование структуры и физико-механических свойств керамики на основе оксида алюминия, диоксида кремния, диоксида циркония, нитрида бора, нитрида кремния, полученной прессованием и спеканием наноструктурных порошков. В процессе исследования изучали технологические свойства оксидных порошков, проводили их механическую активацию, пластификацию, формовали и спекали керамические прессовки, изготавливали микрошлифы спеченных образцов для наноиндентирования и изучения микроструктуры. Были определены плотность прессовок и спечённых образцов, измерены модуль упругости и нанотвердость с использованием методики наноиндентрования.The object of the study is ceramics based on aluminum oxide, silicon dioxide, zirconium dioxide, boron nitride, silicon nitride. The aim of this work is to study the structure and physical and mechanical properties of ceramics based on aluminum oxide, silicon dioxide, zirconium dioxide, boron nitride, silicon nitride obtained by pressing and sintering nanostructured powders. In the process of research, the technological properties of oxide powders were studied, their mechanical activation, plasticization, molding and sintering of ceramic compacts, microsections of sintered samples for nanoindentation and microstructure studying. The density of compacts and sintered samples was determined, the modulus of elasticity and nanohardness were measured using the nanoindentation technique

Increased breath naphthalene in children with asthma and wheeze of the All Age Asthma Cohort (ALLIANCE).

Background&#xD;Exhaled breath contains numerous volatile organic compounds (VOCs) known to be related to lung disease like asthma. Its collection is non-invasive, simple to perform and therefore an attractive method for the use even in young children. We analysed breath in children of the multicenter All Age Asthma Cohort (ALLIANCE) to evaluate if "breathomics" have the potential to phenotype patients with asthma and wheeze, and to identify extrinsic risk factors for underlying disease mechanisms.&#xD;Methods&#xD;A breath sample was collected from 142 children (asthma: 51, pre-school wheezers: 55, healthy controls: 36) and analysed using gas chromatography-mass spectrometry (GC/MS). Children were diagnosed according to GINA guidelines and comprehensively examined each year over up to seven years. Forty children repeated the breath collection after 24 or 48 months. &#xD;Results&#xD;Most breath VOCs differing between groups reflect the exposome of the children. We observed lower levels of lifestyle-related VOCs and higher levels of the environmental pollutants, especially naphthalene, in children with asthma or wheeze. Naphthalene was also higher in symptomatic patients and in wheezers with recent inhaled corticosteroid use. No relationships with lung function or TH2 inflammation were detected.&#xD;Conclusion&#xD;Increased levels of naphthalene in asthmatics and wheezers and the relationship to disease severity could indicate a role of environmental or indoor air pollution for the development or progress of asthma. Breath VOCs might help to elucidate the role of the exposome for the development of asthma.&#xD;The study was registered at ClinicalTrials.gov (NCT02496468).&#xD;&#xD