Wavelet packets approach to blind separation of statistically dependent sources

Sub-band decomposition independent component analysis (SDICA) assumes that wide-band source signals can be dependent but some of their sub-components are independent. Thus, it extends applicability of standard independent component analysis (ICA) through the relaxation of the independence assumption. In this paper, firstly, we introduce novel wavelet packets (WPs) based approach to SDICA obtaining adaptive sub-band decomposition of the wideband signals. Secondly, we introduce small cumulant based approximation of the mutual information (MI) as a criterion for the selection of the sub-band with the least-dependent components. Although MI is estimated for measured signals only, we have provided a proof that shows that index of the sub-band with least dependent components of the measured signals will correspond with the index of the sub-band with least dependent components of the sources. Unlike in the case of the competing methods, we demonstrate consistent performance in terms of accuracy and robustness as well as computational efficiency of WP SDICA algorithm.     

2DOF discrete dead-time compensators for stable and integrative processes with dead-time

This paper presents an analysis of 2DOF discrete dead-time compensators for stable and integrative processes. The proposed structure can be tuned taking into account the performance and robustness of the closed-loop. Also a novel procedure to choose the sampling period is presented considering the robustness and the disturbance rejection response of the closed-loop system. In order to illustrate the results, some simulation examples and experimental results are shown.     

Computational Analysis of Molnupiravir

In this work, we report in-depth computational studies of three plausible tautomeric forms, generated through the migration of two acidic protons of the N⁴-hydroxylcytosine fragment, of molnupiravir, which is emerging as an efficient drug to treat COVID-19. The DFT calculations were performed to verify the structure of these tautomers, as well as their electronic and optical properties. Molecular docking was applied to examine the influence of the structures of the keto-oxime, keto-hydroxylamine and hydroxyl-oxime tautomers on a series of the SARS-CoV-2 proteins. These tautomers exhibited the best affinity behavior (−9.90, −7.90, and −9.30 kcal/mol, respectively) towards RdRp-RTR and Nonstructural protein 3 (nsp3_range 207–379-MES).     

Combined optical tweezers/ion beam technique to tune colloidal masks for nanolithography

A method is presented to control the in-plane ordering, size, and interparticle distance of nanoparticles fabricated by evaporation through a mask of colloidal particles. The use of optical tweezers combined with critical point drying gives single-particle position control over the colloidal particles in the mask. This extends the geometry of the colloidal masks from (self-organized) hexagonal to any desired symmetry and spacing. Control over the mask's hole size is achieved by MeV ion irradiation, which causes the colloids to expand in the in-plane direction, thus shrinking the size of the holes. After modification of the mask, evaporation at different angles with respect to the mask gives additional control over structure and interparticle distance, allowing nanoparticles of different materials to be deposited next to each other. We demonstrate large arrays of metal nanoparticles with dimensions in the 15-30 nm range, with control over the interparticle distance and in-plane ordering.     

Comparison of nutrient removal efficiency between pre- and post-denitrification wastewater treatments.

A shortage of organic substances (COD) may cause problems for biological nutrient removal, that is, lower influent COD concentration leads to lower nutrient removal rates. Biological phosphorus removal and denitrification are reactions in which COD is indispensable. As for biological simultaneous nitrogen and phosphorus removal systems, a competition problem of COD utilisation between polyphosphate accumulating organisms (PAOs) and non-polyphosphate-accumulating denitrifiers is not avoided. From the viewpoint of effective utilisation of limited influent COD, denitrifying phosphorus-removing organisms (DN-PAOs) can be effective. In this study, DN-PAOs activities in modified UCT (pre-denitrification process) and DEPHANOX (post-denitrification process) wastewater treatments were compared. In conclusion, the post-denitrification systems can use influent COD more effectively and have higher nutrient removal efficiencies than the conventional pre-denitrification systems.     

Kinetics of struvite to newberyite transformation in the precipitation system MgCl2-NH4H2PO4NaOH-H2O

The influence of the initial reactant concentrations on the composition of the solid phases formed in the precipitation system MgCl(2)-NH(4)H(2)PO(4)-NaOH-H(2)O was investigated. The precipitation diagram constructed shows the approximate concentration regions within which struvite, newberyite, and their mixtures exist at 25 degrees C and an aging time of 60 min. It was found that immediately after mixing the reactant solutions, struvite (MgNH(4)PO(4).6H(2)O) precipitated in nearly the whole concentration area, while newberyite (MgHPO(4).3H(2)O) appeared mostly within the region of the excess of magnesium concentration. It was also found that after aging time of 60 min the precipitation domain of struvite alone is much broader than that of newberyite or the domain of their coexistence, and shows that struvite is more abundant in the systems in which the initial concentration of ammonium phosphate is higher than that of magnesium. The kinetics of struvite to newberyite transformation (conversion) was systematically studied under the conditions of different initial reactant concentrations and different initial pH in the systems in which a mixture of both phases precipitated spontaneously. The struvite to newberyite conversion period was found to be strongly related to the ratio of initial supersaturations, S(N)/S(S), rather than to the any particular physical quantity that can describe and predict the behavior of the precipitation system. Experimental data suggest a solution-mediated process as a most possible transformation mechanism. Along with a continuous monitoring of the changes in the liquid phase, the content of struvite in the solid phase was estimated by means of a Fourier transform infrared (FT-IR) method, developed for this particular precipitation system.     

Soy sauce odour induces and enhances saltiness perception

Developing products with reduced sodium content is one alternative for consumers interested in reducing their daily sodium intake. In this research, we determined whether soy sauce odour could induce and enhance salty taste perception in salt solution models. The sensory threshold technique (ASTM E679‐04, the ascending forced choice method of limits) was used to determine thresholds at 25 °C. Group best estimate threshold geometric means of soy sauce odour were expressed as parts‐per‐billion (ppb, v/v). At 28.45 ppb (recognition threshold), soy sauce odour could induce salty taste in 0.03 mm NaCl solution (in which salty taste was undetectable without soy sauce odour) and at 122.71 ppb (difference threshold), it enhanced salty taste (i.e. saltier) perception in 20 mm NaCl solution. Through the odour–taste interaction concept, this study demonstrated that the soy sauce odour could induce and enhance salty taste perception, which could be applied in the development of reduced‐sodium foods.     

Wire antenna versus modified transmission line approach to the transient analysis of grounding grid

The paper deals with transient analysis of grounding grids using two different approaches, wire antenna theory and modified transmission line model. The Pocklington integro-differential equations, in frequency domain, arising from the wire antenna theory are numerically handled via the Galerkin–Bubnov variant of indirect Boundary Element Method (GB-IBEM), while the transient response was obtained using inverse Fourier transform. The modified transmission line equations are treated using the finite difference time domain (FDTD) method. Some illustrative numerical results are presented and discussed in the paper.     

Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations

In this work, we report solvent-induced complexation properties of a new N₂S₂ tetradentate bis-thiosemicarbazone ligand (H₂L^I), prepared by the condensation of 4-phenylthiosemicarbazide with bis-aldehyde, namely 2,2’-(ethane-1,2-diylbis(oxy)dibenzaldehyde, towards nickel(II). Using ethanol as a reaction medium allowed the isolation of a discrete mononuclear homoleptic complex [NiL^I] (1), for which its crystal structure contains three independent molecules, namely 1-I, 1-II, and 1-III, in the asymmetric unit. The doubly deprotonated ligand L^I in the structure of 1 is coordinated in a cis-manner through the azomethine nitrogen atoms and the thiocarbonyl sulfur atoms. The coordination geometry around metal centers in all the three crystallographically independent molecules of 1 is best described as the seesaw structure. Interestingly, using methanol as a reaction medium in the same synthesis allowed for the isolation of a discrete mononuclear homoleptic complex [Ni(L^II)₂] (2), where L^II is a monodeprotonated ligand 2-(2-(2-(2-(dimethoxymethyl)phenoxy)ethoxy)benzylidene)-N-phenylhydrazine-1-carbothioamide (HL^II). The ligand L^II was formed in situ from the reaction of L^I with methanol upon coordination to the metal center under synthetic conditions. In the structure of 2, two ligands L^II are coordinated in a trans-manner through the azomethine nitrogen atom and the thiocarbonyl sulfur atom, also yielding a seesaw coordination geometry around the metal center. The charge and energy decomposition scheme ETS-NOCV allows for the conclusion that both structures are stabilized by a bunch of London dispersion-driven intermolecular interactions, including predominantly N–H∙∙∙S and N–H∙∙∙O hydrogen bonds in 1 and 2, respectively; they are further augmented by less typical C–H∙∙∙X (where X = S, N, O, π), CH∙∙∙HC, π∙∙∙π stacking and the most striking, attractive long-range intermolecular C–H∙∙∙Ni preagostic interactions. The latter are found to be determined by both stabilizing Coulomb forces and an exchange-correlation contribution as revealed by the IQA energy decomposition scheme. Interestingly, the analogous long-range C–H∙∙∙S interactions are characterized by a repulsive Coulomb contribution and the prevailing attractive exchange-correlation constituent. The electron density of the delocalized bonds (EDDB) method shows that the nickel(II) atom shares only ~0.8|e| due to the σ-conjugation with the adjacent in-plane atoms, demonstrating a very weak σ-metalloaromatic character.