Stability of Ge-related point defects and complexes in Ge-doped SiO_2

We analyze Ge-related defects in Ge-doped SiO_2 using first-principles density functional techniques. Ge is incorporated at the level of ~ 1 mol % and above. The growth conditions of Ge:SiO_2 naturally set up oxygen deficiency, with vacancy concentration increasing by a factor 10^5 over undoped SiO_2, and O vacancies binding strongly to Ge impurities. All the centers considered exhibit potentially EPR-active states, candidates for the identification of the Ge(n) centers. Substitutional Ge produces an apparent gap shrinking via its extrinsic levels.Comment: RevTeX 4 pages, 2 ps figure

Whitney coverings and the tent spaces T1,q(γ)T^{1,q}(\gamma) for the Gaussian measure

We introduce a technique for handling Whitney decompositions in Gaussian harmonic analysis and apply it to the study of Gaussian analogues of the classical tent spaces $T^{1,q}$ of Coifman, Meyer and Stein.Comment: 13 pages, 1 figure. Revised version incorporating referee's comments. To appear in Arkiv for Matemati

Towards the Dependence on Parameters for the Solution of the Thermostatted Kinetic Framework

A complex system is a system involving particles whose pairwise interactions cannot be composed in the same way as in classical Mechanics, i.e., the result of interaction of each particle with all the remaining ones cannot be expressed as a sum of its interactions with each of them (we cannot even know the functional dependence of the total interaction on the single interactions). Moreover, in view of the wide range of its applications to biologic, social, and economic problems, the variables describing the state of the system (i.e., the states of all of its particles) are not always (only) the usual mechanical variables (position and velocity), but (also) many additional variables describing e.g., health, wealth, social condition, social rôle . . . , and so on. Thus, in order to achieve a mathematical description of the problems of everyday’s life of any human society, either at a microscopic or at a macroscpoic scale, a new mathematical theory (or, more precisely, a scheme of mathematical models), called KTAP, has been devised, which provides an equation which is a generalized version of the Boltzmann equation, to describe in terms of probability distributions the evolution of a non-mechanical complex system. In connection with applications, the classical problems about existence, uniqueness, continuous dependence, and stability of its solutions turn out to be particularly relevant. As far as we are aware, however, the problem of continuous dependence and stability of solutions with respect to perturbations of the parameters expressing the interaction rates of particles and the transition probability densities (see Section The Basic Equations has not been tackled yet). Accordingly, the present paper aims to give some initial results concerning these two basic problems. In particular, Theorem 2 reveals to be stable with respect to small perturbations of parameters, and, as far as instability of solutions with respect to perturbations of parameters is concerned, Theorem 3 shows that solutions are unstable with respect to “large” perturbations of interaction rates; these hints are illustrated by numerical simulations that point out how much solutions corresponding to different values of parameters stay away from each other as t → +∞

Chicken ceruloplasmin. Evidence in support of a trinuclear cluster involving type 2 and 3 copper centers.

Ceruloplasmin was isolated to purity from chicken plasma by a single-step chromatography on amino-ethyl-derivatized Sepharose. Molecular mass, as estimated by nonreducing sodium dodecyl sulfate-electrophoresis, was approximately 140 kDa, slightly higher than that found for ceruloplasmins from other sources. Specific activity as p-phenylenediamine oxidase was five times higher than that reported for mammalian ceruloplasmins. The copper content was estimated to be 5.01 +/- 0.35 atoms per protein molecule, 50% of which was EPR-detectable. The EPR spectrum was completely devoid of any signal typical of the type 2 copper as seen in the other blue multicopper oxidases and in ceruloplasmin from mammalian species. Anaerobic reduction of chicken ceruloplasmin resulted in the disappearance of the 330 nm optical band typical of type 3 copper, which was followed by the appearance of an EPR signal typical of type 2 copper. Subsequently, the type 1 copper and finally the newly formed type 2 copper were reduced. The original optical and EPR spectra were recovered within few minutes upon exposure of reduced ceruloplasmin to air. It is concluded that in oxidized chicken ceruloplasmin type 2 copper interacts with the diamagnetic pair responsible for the 330 nm absorption in such a way as to become EPR-undetectable and that the interaction is relieved by reduction of the pair. Whether this interaction is intrinsically weaker in other blue oxidases and ceruloplasmins studied or is lost with standard preparation procedures remains to be established

Presence of coupled trinuclear copper cluster in mammalian ceruloplasmin is essential for efficient electron transfer to oxygen.

Abstract The reactivity with dioxygen of a mammalian (sheep) ceruloplasmin, anaerobically reduced with ascorbate, was found to depend on the state of the Type 2 and Type 3 copper centers, as monitored by EPR and optical spectroscopy. A complete reoxidation by air after anaerobic reduction with ascorbate was observed with samples (A) purified by the single-step procedure described for chicken ceruloplasmin (Calabrese, L., Carbonaro, M., and Musci, G. (1988) J. Biol. Chem. 263, 6480-6483), while samples prepared by traditional multistep procedure (B) or subjected to freeze-thawing (C) displayed partial and very slow reoxidation, reflecting the functional nonequivalence of blue coppers which is considered a typical property of mammalian ceruloplasmin. The rate of reduction of the 330 nm chromophore was found to increase as a function of the extent and rate of reoxidation of different samples, while the 610 nm band displayed an opposite trend. Samples B and C showed a Type 2 copper signal in the EPR spectrum, while sample A showed practically no Type 2 copper in the oxidized protein, and a transient Type 2-like signal during reduction. The presence of a trinuclear Type 2-Type 3 cluster can therefore be proposed for all ceruloplasmins, and the integrity of the copper-copper coupling is essential for efficient oxidase behavior

The digital girls response to pandemic: Impacts of in presence and online extracurricular activities on girls future academic choices

In the last few years, several initiatives based on extracurricular activities have been organized in many countries around the world, with the aim to reduce the digital gender gap in STEM (Science, Technology, Engineering, Math) fields. Among them, the Digital Girls summer camp, organized every year since 2014 by two Italian universities with the aim to attract female students to ICT (Information and Communication Technologies) disciplines, represents quite a unique initiative for its characteristics of long-duration (3–4 entire weeks) and complete gratuitousness for the participants. The COVID-19 emergency imposed severe changes to such activities, that had to be modified and carried out in the online mode as a consequence of social distancing. However, on one hand, the general lack of high-quality evaluations of these initiatives hinders the possibility to understand the actual impact of extracurricular activities on the future academic choices of the participants. On the other hand, the availability of data collected over different editions of Digital Girls has allowed us to analyze the summer camp impact and to evaluate the pros and cons of in-presence and online activities. The main contribution of this paper is twofold. First, we present an overview of existing experiences, at the national (Italian) and international levels, to increase female participation in integrated STEM and ICT fields. Second, we analyze how summer camp participation can influence girls’ future academic choices, with specific attention to ICT-related disciplines. In particular, the collection of a significant amount of data through anonymous surveys conducted before and after the camp activities over the two editions allowed us to evidence the different impacts of in-presence and online extracurricular activities

A new digital divide threatening resilience: exploring the need for educational, firm-based, and societal investments in ICT human capital

The knowledge, skills, and abilities that human capital offers create tangible and intangible assets that equip organizations to thrive. In particular, in today’s Industry 4.0 environment, training, recruiting, and retaining highly qualified ICT-ready professionals remains a problem for many organizations including educational, governmental, healthcare, and business organizations. The COVID-19 pandemic revealed the importance of digital assets to our economies, and it is also demonstrating that there is potentially a new digital divide with even worse implications for companies, economies, and society, which is threatening the resilience of business, governance, and society. In this paper, we respond to the question “how can we develop ICT human capital in our global economy in an equitable, inclusive, and purposeful manner such that not organizations thrive, but also to promote social justice and equity in our global economy?”

Detecting anatomical characteristics of single motor units by combining high density electromyography and ultrafast ultrasound: a simulation study

Muscle force production is the result of a sequence of electromechanical events that translate the neural drive issued to the motor units (MUs) into tensile forces on the tendon. Current technology allows this phenomenon to be investigated non-invasively. Single MU excitation and its mechanical response can be studied through high-density surface electromyography (HDsEMG) and ultrafast ultrasound (US) imaging respectively. In this study, we propose a method to integrate these two techniques to identify anatomical characteristics of single MUs. Specifically, we tested two algorithms, combining the tissue velocity sequence (TVS, obtained from ultrafast US images), and the MU firings (extracted from HDsEMG decomposition). The first is the Spike Triggered Averaging (STA) of the TVS based on the occurrences of individual MU firings, while the second relies on the correlation between the MU firing patterns and the TVS spatio-temporal independent components (STICA). A simulation model of the muscle contraction was adapted to test the algorithms at different degrees of neural excitation (number of active MUs) and MU synchronization. The performances of the two algorithms were quantified through the comparison between the simulated and the estimated characteristics of MU territories (size, location). Results show that both approaches are negatively affected by the number of active MU and synchronization levels. However, STICA provides a more robust MU territory estimation, outperforming STA in all the tested conditions. Our results suggest that spatio-temporal independent component decomposition of TVS is a suitable approach for anatomical and mechanical characterization of single MUs using a combined HDsEMG and ultrafast US approach

Photoluminescence characterization of aged and regenerated mesoporous silica

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