Infinite-dimensional Log-Determinant divergences between positive definite Hilbert–Schmidt operators

Positivity - The current work generalizes the author’s previous work on the infinite-dimensional Alpha Log-Determinant (Log-Det) divergences and Alpha-Beta Log-Det divergences, defined on the...     

Frequency modules and nonexistence of quasi-periodic solutions of nonlinear evolution equations

This paper gives lower estimates for the frequency modules of almost periodic solutions to equations of the form , where A generates a strongly continuous semigroup in a Banach space , F(t,x) is 2π-periodic in t and continuous in (t,x), and f is almost periodic. We show that the frequency module ℳ(u) of any almost periodic mild solution u of (*) and the frequency module ℳ(f) of f satisfy the estimate e ^{2π iℳ(f)}⊂e ^{2π iℳ(u)}. If F is independent of t, then the estimate can be improved: ℳ(f)⊂ℳ(u). Applications to the nonexistence of quasi-periodic solutions are also given.     

Simultaneous Determination of Paracetamol,Ibuprofen, and Caffeine in Tablets by Molecular Absorption Spectroscopy Combined with Classical Least Square Method

In this paper, the classical least-squares (CLS) method with molecular absorption spectrophotometric measurement was used to determine simultaneously paracetamol (PAR), ibuprofen (IBU), and caffeine (CAF) in tablets. The absorbance spectra of the standard solutions and samples were measured over a wavelength from 220 to 300 nm with a 0.5 nm step. The concentration of PAR, IBU, and CAF in the sample solutions was calculated by using Visual Basic for Applications (VBA) and a program called CLS-Excel written in Microsoft Excel 2016. The method and the CLS-Excel program were tested on mixed standard laboratory samples with different PAR, IBU, and CAF concentration ratios, and they showed only small errors and a satisfying repeatability. An analytical procedure for tablets containing PAR, IBU, and CAF was developed. The reliability of the procedure was proved via the recovery and repeatability of the analysis results with an actual tablet sample and by comparing the mean contents of active substances in the tablets obtained from the analytical procedure with the HPLC method. The procedure is simple with a reduced cost compared with the HPLC standard method.     

Theoretical study of the substituent effects on the S-H bond dissociation energy and ionization energy of 3-pyridinethiol: Prediction of novel antioxidant

The S-H bond dissociation enthalpies [BDE(S-H)] of a set of 5-X- and 6-X-3-pyridinethiols (X = F, Cl, CH3, OCH3, NH2, N(CH3)2, CF3, CN, and NO2) have been computed using the density functional theory based (RO)B3LYP procedure with 6-311++G(2df,2p) basis set. The effects of substituents on the BDE(S-H), proton affinity of the pyridinethiol anion [PA(S-)] and ionization energy (IE) are analyzed and their correlations with Hammett's substituent constants are examined. Subsequently, a series of 6-substituted 3-pyridinethiols have been explored to find out their antioxidant potentials. Finally, a number of 3-pyridinethiol based compounds are theoretically proposed as novel antioxidants.     

Comprehensive two-dimensional gas chromatography for enhanced analysis of naphthas: new column combination involving permethylated cyclodextrin in the second dimension

A new column association using comprehensive two-dimensional gas chromatography for the detailed molecular analysis of hydrocarbon mixtures is reported in this paper. In order to compare the impact of two different secondary columns, a novel column combination relying on a GC x 2GC system was used. This system is based on a non-polar first column (PONA) combined with both a permethylated beta-cyclodextrin (beta-Dex 120) stationary phase and a polysilphenylensiloxane (BPX 50) in the second dimension. Compared to BPX 50 stationary phase, the implementation of beta-cyclodextrin columns as the second dimension was found to improve the resolution between paraffins and naphthenes in the naphtha range but not in the middle distillate range. Attempts to improve the results and to understand the interaction mechanism remained unsuccessful. Therefore, the benefits of the beta-Dex 120-column are only demonstrated on heavy naphtha cut for the quantitation of hydrocarbons.     

Thermodynamics of the formation of Cu<Superscript>2+</Superscript>–glycyl-glycyl-glycine complex in water–ethanol solutions at 298 K

The stability constants of monoligand complexes of copper(II) ions with glycyl-glycyl-glycine zwitterions (triglycine, HL^±) and triglycinate ions (L^?) in a water–ethanol solvent with 0.0, 0.1, 0.3, and 0.5 mole fractions of ethanol at an ionic strength of 0.1 created by sodium perchlorate and temperature Т = 298.15 K are determined by means of potentiometric titration. It is found that an increase of ethanol content improves the stability of the investigated complexes, due mainly to the resolvation of ligands.     

Preparation of nanoscale cellulose materials with different morphologies by mechanical treatments and their characterization

Rod-like cellulose nanowhiskers and spherical cellulose nanoparticles were prepared from wood-pulp-derived cellulose powder by mechanical refining processes such as high-pressure homogenization (HPH) and ball-milling (BM). The nanowhiskers obtained by the HPH method were found to be 200–500 nm long and 11–16 nm wide. The diameters of the nanoparticles were in the range 40–200 nm, depending on the BM time, and were reduced to 25–50 nm after extra HPH. By adjusting the BM time, cellulose nanoparticles having different polymorphs with similar morphologies were prepared. The X-ray diffraction patterns revealed the recrystallization of cellulose I (1 h of BM time) or cellulose II (4–8 h of BM time) in ball-milled nanoparticles after water washing and solvent exchange treatments. The nanowhisker widths derived from the specific surface areas (SSA) by adsorption methods such as Congo red dye, nitrogen, and water vapor, sorptions were in agreement with those obtained from transmission electron microscopy and atomic force microscopy images. Similar SSA values were obtained for micro- and nano-scale cellulose materials using water vapor adsorption methods, and the SSAs of nanoparticles obtained by different adsorption methods are also discussed.     

Conversion of Amines into Phenylsulfides and Phenylselenides via Ditosylamides

Amines are converted in good to excellent yields to phenylsulfides or phenyl-selenides via nucleophilic displacement on the corresponding ditosylamides. The conversion of (?)-(S)-1-phenylethylamine to the chiral phenylsulfide 6 was found to proceed with inversion of configuration. A simple one-pot procedure for the preparation of ditosylamides is reported.     

Peak shape analysis of Ag 3d core‐level X‐ray photoelectron spectra of Au@Ag core‐shell nanoparticles using an asymmetric Gaussian–Lorentzian mixed function

This article reports on the peak shape analysis of X‐ray photoelectron spectra of gold‐silver core‐shell (Au@Ag) nanoparticles (NPs) using an asymmetric Gaussian–Lorentzian mixed function. Unlike Ag NPs, Au@Ag NPs have no oxide peak and show asymmetric line shape with a high energy tail in Ag 3d core‐level spectra. A monotonic increase in the Ag 3d binding energy and a decrease in the degree of asymmetry with increasing the Ag shell thickness were observed supporting the occurrence of charge transfer from Au core to Ag shell. Copyright © 2012 John Wiley & Sons, Ltd.     

Chemical Composition and Antifungal Activity of Essential Oil from the Roots of Tinomiscium petiolare

Chemistry of Natural Compounds -