Laser Desorption Ionization of As<Subscript>2</Subscript>Ch<Subscript>3</Subscript> (Ch = S,Se, and Te) Chalcogenides Using Quadrupole Ion Trap Time-of-Flight Mass Spectrometry: A Comparative Study

Laser desorption ionization using time-of-flight mass spectrometer afforded with quadrupole ion trap was used to study As₂Ch₃ (Ch = S, Se, and Te) bulk chalcogenide materials. The main goal of the study is the identification of species present in the plasma originating from the interaction of laser pulses with solid state material. The generated clusters in both positive and negative ion mode are identified as 10 unary (S _p ^+/– and As _m ^+/– ) and 34 binary (As _m S _p ^+/– ) species for As₂S₃ glass, 2 unary (Se _q ^+/– ) and 26 binary (As _m Se _q ^+/– ) species for As₂Se₃ glass, 7 unary (Te _r ^+/– ) and 23 binary (As _m Te _r ^+/– ) species for As₂Te₃ material. The fragmentation of chalcogenide materials was diminished using some polymers and in this way 45 new, higher mass clusters have been detected. This novel approach opens a new possibility for laser desorption ionization mass spectrometry analysis of chalcogenides as well as other materials.

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Swelling behaviors of poly(dodecyl methacrylate-co-methyl eugenol) and poly(dodecyl methacrylate-co-methyl chavicol) gels in essential oil components

Poly(dodecylmethacrylate-co-methyleugenol) P(DDMA-co-Meu) and poly(dodecylmethacrylate-co-methylchavicol) P(DDMA-co-Mch) gels were synthesized in ethanol using free radical cross-linking polymerization method at 60 °C for 24 h in the presence of azobisisobutyronitrile (AIBN) and triethylene glycol dimethacrylate (TEGDMA) as initiator and cross-linker, respectively. Scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) were used to characterize the gels. These gels were used to investigate swelling behaviors in linalool and methyl eugenol, in essential oil mixture of phenyl propanoid and terpenoid, and also in various solvents. While the equilibrium swelling values (ESV) of both gels were higher in linalool than in methyl eugenol, the result was vice versa in the case of essential oil mixture. ESVs of both gels were also obtained in various solvents with different functional groups and the highest ESV of both gels were obtained in toluene, and the lowest ESV of P(DDMA-co-Meu) and P(DDMA-co-Mch) was in methanol and in ethylene glycol, respectively. While P(DDMA-co-Meu) is sensitive to carbon number change in alcohol, P(DDMA-co-Mch) is less sensitive. In the case of esters, increase of carbon number in functional group causes a more significant change in ESV than an increase of carbon number in aliphatic chain. Experimental results were correlated by the first-order and second-order models. The second-order model was more suitable than the other. While P(DDMA-co-Meu) gel swelled in linalool exhibits a Fickian diffusion character, the diffusion mechanism of the gel in methyl eugenol is a non-Fickian one. In the case of P(DDMA-co-Mch), the result is vice versa.     

Synthesis,characterization, crystal structure,and antimicrobial studies of 2-morpholinoethyl-substituted benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes

Research on Chemical Intermediates - This article describes synthesis of N-morpholinoethylbenzimidazole (1), 2-morpholinoethyl-substituted benzimidazolium salts (NHC precursors, 2a–c), and...     

Thermal analysis of heat-treated silver fir wood and larval frass

Glasses having composition 5Li₂O–5ZnO– xBi₂O₃ –(90 ? x) P₂O₅ (x = 5, 10, 15, 20 and 25 mol%) were prepared by the normal melt quenching technique. Nanocomposite glass containing bismuth phosphate BiPO₄ nanocrystals was obtained, which can be attributed to homogeneous nucleation process. The formation of BiPO₄ nanocrystals was confirmed and characterized by X-ray diffraction patterns (XRD), transmission electron microscopy (TEM), differential scanning calorimetry, optical absorption (UV–Vis) and micro-hardness studies. The morphological analysis by XRD and TEM microscopy showed the formation of hexagonal BiPO₄ nanocrystals, and its estimated nanocrystalline sizes were found to be varying from 5.35 to 11.53 nm depending on the Bi₂O₃ concentrations. The density (ρ) and molar volume (V _m) were also determined and found to be in compositional dependence. Glass transition temperature (T _g) and glass crystallization temperature (T _c) were obtained and found to be increased (from 240.0 to 337.2 °C) with increasing Bi₂O₃ up to 20 mol% and then decreased (from 337.2 to 331.8 °C) due to the structural changes in the glass network. Effect of BiPO₄ content on the optical properties had been investigated. From the UV–Vis spectra, it was observed that the fundamental absorption edge shifts toward lower wavelengths, i.e., blueshifts with increasing Bi₂O₃ mol% up to 20 mol%, and then shifts toward higher wavelengths, i.e., redshifts beyond 20 mol%. It was also observed that the obtained E _opt (for indirect and direct transitions) increases with gradual increase in Bi₂O₃ content up to 20 mol% and then decreases beyond 20 mol%. This may be due to the introduction of Bi cations into the glass network as a network former up to 20 mol% causing a decrease in ΔE values, beyond 20 mol%, the introduction of Bi ions into the glass network interstitially leads to increase the values of ΔE. The optical properties of the present nanocrystallized glasses showed a quantum size dependence, in which the optical band gap energy (E _opt) was changed as a function of BiPO₄ nanocrystalline sizes.     

Mild Palladium Catalyzed ortho C‐H Bond Functionalizations of Aniline Derivatives

This account collects the developments and transformations which avoid the utilization of harsh reaction conditions in the field of palladium catalyzed, ortho‐directed C?H activation of aniline derivatives from the first attempts to up‐to‐date results, including the results of our research laboratory. The discussed functionalizations performed under mild conditions include acylation, olefination, arylation, alkylation, alkoxylation reactions. Beside the optimization studies and the synthetic applications mechanistic investigations are also presented.     

Two optimization problems in linear regression with interval data

We consider a linear regression model where neither regressors nor the dependent variable is observable; only intervals are available which are assumed to cover the unobservable data points. Our task is to compute tight bounds for the residual errors of minimum-norm estimators of regression parameters with various norms (corresponding to least absolute deviations (LAD), ordinary least squares (OLS), generalized least squares (GLS) and Chebyshev approximation). The computation of the error bounds can be formulated as a pair of max–min and min–min box-constrained optimization problems. We give a detailed complexity-theoretic analysis of them. First, we prove that they are NP-hard in general. Then, further analysis explains the sources of NP-hardness. We investigate three restrictions when the problem is solvable in polynomial time: the case when the parameter space is known apriori to be restricted into a particular orthant, the case when the regression model has a fixed number of regression parameters, and the case when only the dependent variable is observed with errors. We propose a method, called orthant decomposition of the parameter space, which is the main tool for obtaining polynomial-time computability results.     

Families of optimal packings in real and complex Grassmannian spaces

A construction based on a \(4l \times 4l\) Hadamard matrix leads to a new family of optimal orthoplex packings in Grassmannian spaces \(G_{\mathbb {R}}(8l, 4l)\) and \(G_{\mathbb {C}}(4l, 2l)\). A related construction gives an optimal simplex packings in \(G_{\mathbb {R}}(8 l-1, 4 l - 1)\) and \(G_{\mathbb {R}}(8l-1, 4l)\) with the additional assumption of an \(8l \times 8l\) skew Hadamard matrix and a related 1-factorization of a complete graph. A construction of a maximal optimal simplex packings in \(G_{\mathbb {C}}(2l-1, l- 1)\) and \(G_{\mathbb {C}}(2l-1,l)\) is given.