Structural Insights into New Bi(III) Coordination Polymers with Pyridine-2,3-Dicarboxylic Acid: Photoluminescence Properties and Anti-Helicobacter pylori Activity

Two novel coordination polymers, [Bi₂(2,3pydc)₂(2,3pydcH)₂(H₂O)]_n (1) and {(Et₃NH)₂[Bi(2,3pydc)(2,3pydcH)Cl₂]}_n (2) were prepared using as a prolinker pyridine-2,3-dicarboxylic acid (2,3pydcH₂). The obtained complexes were fully characterized by elemental analysis, TG/DTG, FT-IR, solid-state photoluminescence, DFT calculations and single-crystal X-ray diffraction. The obtained complexes crystallized in the triclinic P-1 space group (1) and comprise dimeric units with two crystallographically different Bi(III) centers (polyhedra: distorted pentagonal bipyramid and bicapped trigonal prism) and monoclinic P2₁/c space group (2) with a distorted monocapped pentagonal bipyramid of Bi(III) center. The various coordination modes of bridging carboxylate ligands are responsible for the formation of 1D chains with 4,5C10 (1) and 2C1 (2) topology. The photoluminescence quantum yield for polymer 2 is 8.36%, which makes it a good candidate for more specific studies towards Bi-based fluorescent materials. Moreover, it was detected that polymer 1 is more than twice as active against H. pylori as polymer 2. It can be concluded that there is an existing relationship between the structure and the antibacterial activity because the presence of chloride and triethylammonium ions in the structure of complex 2 reduces the antibacterial activity.     

Consistency of the Hill Estimator for Time Series Observed with Measurement Errors

We investigate the asymptotic and finite sample behavior of the Hill estimator applied to time series contaminated by measurement or other errors. We show that for all discrete time models used in practice, whose non-contaminated marginal distributions are regularly varying, the Hill estimator is consistent. Essentially, the only assumption on the errors is that they have lighter tails than the underlying unobservable process. The asymptotic justification however depends on the specific class of models assumed for the underlying unobservable process. We show by means of a simulation study that the asymptotic robustness of the Hill estimator is clearly manifested in finite samples. We further illustrate this robustness by a numerical study of the interarrival times of anomalies in a backbone internet network, the Internet2 in the United States; the anomalies arrival times are computed with a roundoff error.     

Modeling mixing dynamics in uncovered baffled and unbaffled stirred tanks

This paper presents results of measurements performed in uncovered baffled and unbaffled stirred tanks. The Laser Doppler Anemometry (LDA) set consists of a 300 mW argon-ion laser generating two pairs of blue and green beams. Additionally, three turbulence models are verified to simulate mixing dynamics in uncovered baffled and unbaffled stirred tanks. Simulations are performed using both the steady- and the transient-state approach. The unbaffled tank was modeled using both the single- and the multiphase approaches. The cited correlations of the central vortex depth are used to verify the multiphase calculations. In order to reduce the computational time, a simplified numerical model is proposed. It assumes a single-phase simulation without the central vortex. The flow fields below the central vortex level are compared between the single- and the multiphase approach. The simplified model can be used both to design and optimize the mixing process.     

Recent developments in non-thermal processing for seafood and seafood products: cold plasma,pulsed electric field and high hydrostatic pressure

Seafood and seafood products (SSPs) are highly perishable foods due to their chemical composition (high moisture content and nutrients). They are regarded as highly sensitive to different processing technologies. SSPs are subjected to various processing conditions with intent to extend their shelf life, quality and minimal nutritional degradation. Recently developed non-thermal technologies (NTTs) have proved their efficacy in inactivation of microorganisms and enzymatic activities, enhancing the shelf life while maintaining the nutritional quality. Considering the significant impacts of NTTs on shelf life extension and maintaining quality parameters, it has attracted considerable interest by scientific communities and commercial applications in some cases. Thus, this article focuses on recent developments in the application of NTTs namely, cold plasma, pulsed electric field and high hydrostatic pressure as well as advantages and limitations of NTTs. In addition, their impacts on microbiological, physicochemical, quality and safety of SSPs are elucidated.     

Transient Excursions to Membrane Core as Determinants of Influenza Virus Fusion Peptide Activity

Fusion of viral and host cell membranes is a critical step in the life cycle of enveloped viruses. In the case of influenza virus, it is mediated by subunit 2 of hemagglutinin (HA) glycoprotein whose N-terminal fragments insert into the target membrane and initiate lipid exchange. These isolated fragments, known as fusion peptides (HAfp), already possess own fusogenic activity towards liposomes. Although they have long been studied with the hope to uncover the details of HA-mediated fusion, their actual mechanism of action remains elusive. Here, we use extensive molecular dynamics simulations combined with experimental studies of three HAfp variants to fully characterize their free energy landscape and interaction with lipid bilayer. In addition to customary assumed peptides localization at lipid–water interface, we characterize membrane-spanning configurations, which turn out to be metastable for active HAfps and unstable for the fusion inactive W14A mutant. We show that, while the degree of membrane perturbation by surface peptide configurations is relatively low and does not show any mutation-related differences, the effect of deeply inserted configurations is significant and correlates with insertion depth of the N-terminal amino group which is the highest for the wild type HAfp. Finally, we demonstrate the feasibility of spontaneous peptide transition to intramembrane location and the critical role of strictly conserved tryptofan residue 14 in this process.     

Wasserstein autoregressive models for density time series

Data consisting of time-indexed distributions of cross-sectional or intraday returns have been extensively studied in finance, and provide one example in which the data atoms consist of serially dependent probability distributions. Motivated by such data, we propose an autoregressive model for density time series by exploiting the tangent space structure on the space of distributions that is induced by the Wasserstein metric. The densities themselves are not assumed to have any specific parametric form, leading to flexible forecasting of future unobserved densities. The main estimation targets in the order-p Wasserstein autoregressive model are Wasserstein autocorrelations and the vector-valued autoregressive parameter. We propose suitable estimators and establish their asymptotic normality, which is verified in a simulation study. The new order-p Wasserstein autoregressive model leads to a prediction algorithm, which includes a data driven order selection procedure. Its performance is compared to existing prediction procedures via application to four financial return data sets, where a variety of metrics are used to quantify forecasting accuracy. For most metrics, the proposed model outperforms existing methods in two of the data sets, while the best empirical performance in the other two data sets is attained by existing methods based on functional transformations of the densities.     

New high temperature amorphous protective coatings for Mg2Si thermoelectric material

Magnesium silicide is one of the most promising, inexpensive, environment friendly and low density (1.99?g?cm^?3) thermoelectric material. These attributes distinguish it from other well-known thermoelectric materials and therefore it is currently intensively studied. Since thermoelectric materials are used in elevated temperatures, they are prone to oxygen corrosion which results in deterioration of their properties and therefore require anticorrosion protection. The aim of the work was to develop anticorrosive coating for magnesium silicide using silane-based, amorphous coatings. High purity Mg₂Si samples were prepared by self-propagating high-temperature synthesis (SHS) and hot-pressing method supported by induction heater. The structural and phase compositions of the obtained samples were examined by means of X-ray diffraction (XRD) method and chemical composition analysis by scanning electron microscopy SEM, combined with EDS method. Fourier-transform infrared spectroscopy FT-IR, Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), temperature-programmed reduction (TPR) and temperature-programmed oxidation (TPOx) methods were used in order to determine chemical stability of prepared samples. In final step, magnesium silicide samples were covered with selected amorphous coatings by dip-coating method and then annealed in Ar gas atmospheres in various temperatures between 400–550?°C. The obtained coatings were characterized using SEM-EDS and reflectance spectroscopy method.     

Arabidopsis Phototropins Participate in the Regulation of Dark-Induced Leaf Senescence

Senescence is the final stage of plant development, affecting individual organs or the whole organism, and it can be induced by several environmental factors, including shading or darkness. Although inevitable, senescence is a complex and tightly regulated process, ensuring optimal remobilization of nutrients and cellular components from senescing organs. Photoreceptors such as phytochromes and cryptochromes are known to participate in the process of senescence, but the involvement of phototropins has not been studied to date. We investigated the role of these blue light photoreceptors in the senescence of individually darkened Arabidopsis thaliana leaves. We compared several physiological and molecular senescence markers in darkened leaves of wild-type plants and phototropin mutants (phot1, phot2, and phot1phot2). In general, all the symptoms of senescence (lower photochemical activity of photosystem II, photosynthetic pigment degradation, down-regulation of photosynthetic genes, and up-regulation of senescence-associated genes) were less pronounced in phot1phot2, as compared to the wild type, and some also in one of the single mutants, indicating delayed senescence. This points to different mechanisms of phototropin operation in the regulation of senescence-associated processes, either with both photoreceptors acting redundantly, or only one of them, phot1, playing a dominant role.