Vibrational analysis of functionalized polyolefins/poly(vinylchloride) blends

Polyolefins functionalized with diethylmaleate were mixed with poly(vinylchloride) (PVC) in different compositions. Intermolecular interactions involving the carbonyl groups of the side chains of the functionalized polyolefins and methine hydrogens of PVC were investigated by means of infrared spectroscopy. The major flexibility of the ester groups attached to the backbone chains, with respect to polyesters, seems to increase the capability of such groups to interact with groups of more polar polymers, thus allowing prediction of easier miscibility, which however also depends on the starting polyolefin structure and function-alization degree.     

Exploiting probability density function of deep convolutional autoencoders’ latent space for reliable COVID-19 detection on CT scans

The Journal of Supercomputing - We present a probabilistic method for classifying chest computed tomography (CT) scans into COVID-19 and non-COVID-19. To this end, we design and train, in an...     

Numerical Analysis of Coaxial Double Gate Schottky Barrier Carbon Nanotube Field Effect Transistors

Carbon nanotube field-effect transistors (CNTFETs) have been studied in recent years as a potential alternative to CMOS devices, because of the capability of ballistic transport. The ambipolar behavior of Schottky barrier CNTFETs limits the performance of these devices. A double gate design is proposed to suppress this behavior. In this structure the first gate located near the source contact controls carrier injection and the second gate located near the drain contact suppresses parasitic carrier injection. To avoid the ambipolar behavior it is necessary that the voltage of the second gate is higher or at least equal to the drain voltage. The behavior of these devices has been studied by solving the coupled Schrödinger-Poisson equation system. We investigated the effect of the second gate voltage on the performance of the device and finally the advantages and disadvantages of these options are discussed.     

Detection of DNA in virgin olive oils extracted from destoned fruits

Characterization of genetic identity using DNA extracted from olive oil has the potential to facilitate assessment of origin and varietal conformity. Such a prospect is particularly interesting in light of the increased regional spread of olive cultivars and their various contributions to olive oil mixtures for certification of denomination of origin. Towards this goal, we have devised a reliable method for extracting DNA from virgin olive oil that was utilized on monovariety oils from the single, self-sterile cultivar ‘Ogliarola salentina’. We show that DNA purified from oil can be used for microsatellite analysis and that the profile of DNA purified from a monovariety oil corresponds to the profile of DNA purified from the leaves of the same cultivar. While DNA from the pollinators present in the genome of the seed embryo, could potentially contain alleles not present in the genome fruit pulp, invalidating the molecular traceability of olive oil, we show for the first time that there is no contamination of seed embryo DNA in a monovariety oil. Thus, this molecular assay is applicable for monovariety olive oils.     

Selecting CRM packages based on architectural,functional, and cost requirements: Empirical validation of a hierarchical ranking model

This study describes a hierarchical ranking model to help the selection of CRM (customer relationship management) packages based on their functional and technical quality. The model is tested empirically by applying the hierarchical analytical process (AHP) to a sample of 42 CRM packages. Results indicate how functionally similar packages can differ substantially in their technical quality and, thus, in their ability to be integrated within a companys information system. The hierarchical model is verified to be dependable, since the quality-based ranking of packages is found to have a low rank-reversal probability as a consequence of managers uncertainty in weighing the relevance of different quality variables. From a practical standpoint, these results confirm that CRM packages differentiate in measurable quality variables, which can be used by practitioners as a framework to gather and evaluate software-selection information during feasibility analyses.     

Long-term aging of copper added to soils

Aging refers to the processes by which the mobility and bioavailability/toxicity of metals added to soil decline with time. Although long-term aging is a key process that needs to be considered in the risk assessment of metals in field soils, the long-term aging of Cu added to soils has not been studied in detail. In this study, the effects of aging on Cu isotopic exchangeability, total Cu in soil pore water, pore water free Cu2+ activity, and "available" Cu measured by the technique of diffusive gradient in thin film (DGT-Cu) were investigated in 19 European soils at two total Cu concentrations shown to inhibit plant (tomato) growth by 10 and 90%. After addition of Cu, the soils were leached, incubated outdoors, and sampled regularly over a 2-year period. The results showed that when water soluble Cu was added to soils, concentrations of Cu determined by each of the techniques tended to decrease rapidly initially, followed by further decreases at slow rates. Soil pH was a vital factor affecting the aging rate of Cu added to soils. The relatively low solubility products and low isotopic exchangeabilities of Cu in calcareous soils immediately after addition of soluble Cu2+ suggested Cu2+ probably precipitated in these soils as Cu2(OH)2CO3 (malachite) and Cu(OH)2. Isotopic dilution was found to be a robust technique for measuring rates of long-term aging reactions. A semi-mechanistic model was developed to describe the rate and extent of Cu aging across soils as affected by soil pH and other physicochemical parameters. Although not measured directly, it is inferred from soil physicochemical controls on Cu aging that processes of precipitation/nucleation of Cu in soils and hydrolysis of Cu2+ followed by a diffusion process controlled the decrease in Cu availability with time. The model was validated by testing it against field soils with different contamination histories and was found to successfully predict the isotopic exchangeability of Cu added to soils based on two parameters: soil pH and time.     

Kuwanon‐L as a New Allosteric HIV‐1 Integrase Inhibitor: Molecular Modeling and Biological Evaluation

HIV‐1 integrase (IN) active site inhibitors are the latest class of drugs approved for HIV treatment. The selection of IN strand‐transfer drug‐resistant HIV strains in patients supports the development of new agents that are active as allosteric IN inhibitors. Here, a docking‐based virtual screening has been applied to a small library of natural ligands to identify new allosteric IN inhibitors that target the sucrose binding pocket. From theoretical studies, kuwanon‐L emerged as the most promising binder and was thus selected for biological studies. Biochemical studies showed that kuwanon‐L is able to inhibit the HIV‐1 IN catalytic activity in the absence and in the presence of LEDGF/p75 protein, the IN dimerization, and the IN/LEDGF binding. Kuwanon‐L also inhibited HIV‐1 replication in cell cultures. Overall, docking and biochemical results suggest that kuwanon‐L binds to an allosteric binding pocket and can be considered an attractive lead for the development of new allosteric IN antiviral agents.     

Assessing the aggregation behaviour of iron oxide nanoparticles under relevant environmental conditions using a multi-method approach

Iron nanoparticles are becoming increasingly popular for the treatment of contaminated soil and groundwater; however, their mobility and reactivity in subsurface environments are significantly affected by their tendency to aggregate. Assessing their stability under environmental conditions is crucial for determining their environmental fate. A multi-method approach (including different size-measurement techniques and the DLVO theory) was used to thoroughly characterise the behaviour of iron oxide nanoparticles (Fe₂O₃NPs) under environmentally relevant conditions. Although recent studies have demonstrated the importance of using a multi-method approach when characterising nanoparticles, the majority of current studies continue to use a single-method approach.Under some soil conditions (i.e. pH 7, 10 mM NaCl and 2 mM CaCl₂) and increasing particle concentration, Fe₂O₃NPs underwent extensive aggregation to form large aggregates (>1 μm). Coating the nanoparticles with dissolved organic matter (DOM) was investigated as an alternative “green” solution to overcoming the aggregation issue instead of using the more commonly proposed polyelectrolytes. At high concentrations, DOM effectively covered the surface of the Fe₂O₃NPs, thereby conferring negative surface charge on the particles across a wide range of pH values. This provided electrostatic stabilisation and considerably reduced the particle aggregation effect. DOM-coated Fe₂O₃NPs also proved to be more stable under high ionic strength conditions. The presence of CaCl₂, however, even at low concentrations, induced the aggregation of DOM-coated Fe₂O₃NPs, mainly via charge neutralisation and bridging. This has significant implications in regards to the reactivity and fate of these materials in the environment.     

Biosurfactants from Urban Wastes for Detergent Formulation: Surface Activity and Washing Performance

To promote biobased products for industry, six biosurfactants (BS) isolated from green and food urban residues aged under aerobic digestion for 0–60 days were investigated for their chemical composition, surface activity properties and detergent performance in fabric washing in comparison with commercial anionic and nonionic surfactants (CS). The BS exhibited a range of chemical composition and surface activity properties presumably related to their different biomass sources. Surface tension data for these substances correlated meaningfully with performance data in fabric washing. It was found that BS have similar performances as CS when used neat, but the 1:1 w/w BS–CS mixes are characterized by significant synergy. High sensitivity to water hardness and fabric yellowing were found to be the main deficiencies for the BS. However, both effects are minimized or are not critically evident when the BS are used together with CS and/or in common detergents formulations. The results indicate that when used above critical micellar concentration, no significant or critical performance differences are evident within the whole group of BS or between BS and CS. These facts encourage expectations for industrial production and real commercialization of BS as components of detergents formulations.     

BETaaS: A Platform for Development and Execution of Machine-to-Machine Applications in the Internet of Things

Wireless Personal Communications - The integration of everyday objects into the Internet represents the foundation of the forthcoming Internet of Things (IoT). Smart objects will be the building...