On the system of anisotropic discrete BVPs

We investigate the existence of solutions of the system of anisotropic discrete boundary value problems using critical point theory. We apply direct variational approach, the Ky Fan min–max inequality and the mountain pass lemma.     

Determination of elastic constants of Na0.5Bi0.5TiO3 from ab initio calculations

Elastic constants and bulk modulus for the tetragonal, rhombohedral, and cubic phase of Na_0.5Bi_0.5TiO₃ crystal were calculated from the first principles. From the calculated elastic constants, other structural properties such as bulk modulus, shear modulus, Young's modulus, and Poisson's ratio can be derived using respective relationships from Voight–Reuss–Hill approximation; bulk modulus was calculated as an example in this article. It was shown that elastic constants show different behavior for compression and elongation. The different values of elastic constants have been calculated for the direction parallel to the bismuth layer (crystallographic a(b)-axis) and the perpendicular direction (crystallographic c-axis). It seems to be caused by bismuth layer structure oxides of Na_0.5Bi_0.5TiO₃ crystal.     

A Family of Fundamental Solutions of Elliptic Partial Differential Operators with Real Constant Coefficients

We present a construction of a family of fundamental solutions for elliptic partial differential operators with real constant coefficients. The elements of such a family are expressed by means of jointly real analytic functions of the coefficients of the operators and of the spatial variable. The aim is to write detailed expressions for such functions. Such expressions are then exploited to prove regularity properties in the frame of Schauder spaces and jump properties of the corresponding single layer potentials.     

Characterization of a Citrulline 4‐Hydroxylase from Nonribosomal Peptide GE81112 Biosynthesis and Engineering of Its Substrate Specificity for the Chemoenzymatic Synthesis of Enduracididine

The GE81112 tetrapeptides are a small family of unusual nonribosomal peptide congeners with potent inhibitory activity against prokaryotic translation initiation. With the exception of the 3‐hydroxy‐l ‐pipecolic acid unit, little is known about the biosynthetic origins of the non‐proteinogenic amino acid monomers of the natural product family. Here, we elucidate the biogenesis of the 4‐hydroxy‐l ‐citrulline unit and establish the role of an iron‐ and α‐ketoglutarate‐dependent enzyme (Fe/αKG) in the pathway. Homology modelling and sequence alignment analysis further facilitate the rational engineering of this enzyme to become a specific 4‐arginine hydroxylase. We subsequently demonstrate the utility of this engineered enzyme in the synthesis of a dipeptide fragment of the antibiotic enduracidin. This work highlights the value of applying a bioinformatics‐guided approach in the discovery of novel enzymes and engineering of new catalytic activity into existing ones.     

Energy potential and thermogravimetric study of pyrolysis kinetics of biomass wastes

The use of agricultural wastes for energy conversion has been widely studied as renewable and carbon neutral energy sources. This paper aims to evaluate the energetic potential of six agricultural wastes—sugarcane bagasse, bean pods, corn stover, pineapple crown leaves, white cotton and natural coloured cotton stalks, through their characterization and pyrolysis kinetic study. The energetic potential of biomasses was evaluated by ultimate and proximate analysis, higher heating value (HHV), apparent density, and kinetic parameters of conversion and apparent activation energy (E_a) determined by Model-Free kinetics though thermogravimetric analysis data. The results indicate energetic density for dry basis biomasses, such as moisture content less than 7%, volatiles higher than 77% and moderate ash content. The HHVs were higher for the biomass with low O:C ratio. The E_a values increased with increasing O:C ratio and were also influenced by the biomass ash content. Among the studied biomasses, PCL are less explored for energy application, although the results confirm its potential for application in thermochemical processes such as pyrolysis or combustion.

     

Corrosion analysis of graphite sinter as bipolar plates in the low-temperature PEM fuel cell simulated environments

Journal of Solid State Electrochemistry - The article presents the results of research and an analysis of the possibility of using sinters made of graphite powder as a material dedicated to the...     

Purity determination of a new antifungal drug candidate using quantitative 1H NMR spectroscopy: Method validation and comparison of calibration approaches

Quantitative nuclear magnetic resonance (qNMR) is an analytical technique that offers numerous advantages in pharmaceutical applications including minimum sample preparation and rapid data collection times with no need for response factor corrections, being a powerful tool for assaying drug content in both drug discovery and early drug development. In the present work, we have applied qNMR, using both the internal standard and the electronic reference to access in vivo concentrations 2 calibration methods, to assess the purity of RI76, a novel antifungal drug candidate. NMR acquisition and processing parameters were optimized in order to obtain spectra with intense, well-resolved signals of completely relaxed nuclei. The analytical method was validated following current guidelines, demonstrating selectivity, linearity, accuracy, precision, and robustness. The calibration approaches were statistically compared, and no significant difference was observed when comparing the obtained results and their dispersion in terms of relative standard deviation. The proposed qNMR method may, therefore, be used for both qualitative and quantitative assessments of RI76 in early drug development and for characterization of this compound.     

Low-background,digital gamma-ray spectrometer with BEGe detector and active shield: commissioning,optimisation and software development

Journal of Radioanalytical and Nuclear Chemistry - This paper presents results of the development process of low-background, digital gamma-rays spectrometer equipped with Broad Energy Germanium...