Classification of chromatographic data using multidimensional polynomials

Summary A pattern recognition methodology has been developed for analysis of chromatographic data. The method uses a new class of multidimensional orthogonal polynomials developed by Cohen in conjunction with a supervised learning technique. The method is applicable to any chromatographic data for which classification into two or more categories is desired. The algorithm analyzes both elution times and peak areas. An application is shown for the analysis of organic acids in ascitic fluid obtained from patients with liver disorders. Classification of these patients for presence or absence of bacterial infection shows over ninety percent correct classification.     

Oxidopyrylium [5+2] cycloaddition chemistry: Historical perspective and recent advances (2008–2018)

The following review article provides an overview of oxidopyrylium [5+2] cycloaddition chemistry, with a particular emphasis placed on seminal historical developments and advancements made over the last decade. It is our hope this review serves as a valuable resource to those interested in the oxidopyrylium cycloaddition chemistry, and helps inspire future advancements.     

Analysis of industry equilibria in models with sustaining and disruptive technology

This paper analyzes a special type of technology evolution, referred to in the literature as disruptive technology vs. sustaining technology. In general, “old” products based on sustaining technology are perceived to be superior to the “new” ones based on disruptive technology. However, the latter have distinctive features that allow them to attract an exclusive set of customers. Examples include notebooks vs. netbooks, hard-disk drives vs. solid-state drives, laser printers vs. inkjet printers, etc. We consider a model with an established firm and an entrant firm that have heterogeneous product-offering capabilities: the established firm can offer either or both types of products, while the entrant firm can only offer new products. Firms make capacity, pricing, and quantity decisions that maximize their ex-ante profit. Within this framework, we analyze deterministic games with perfect information and stochastic games with uncertain valuation of the disruptive technology. Equilibrium decisions are discussed under various market conditions, as well as under dedicated vs. flexible capacity assumptions.     

Multiresidue determination of 11 new fungicides in grapes and wines by liquid–liquid extraction/clean-up and programmable temperature vaporization injection with analyte protectants/gas chromatography/ion trap mass spectrometry

A gas chromatographic ion trap mass spectrometry (GC-ITMS) method was developed for the determination of 11 new generation fungicides (benalaxyl, benalaxyl-M, boscalid, cyazofamid, famoxadone, fenamidone, fluquinconazole, iprovalicarb, pyraclostrobin, trifloxystrobin and zoxamide) in grapes and wines. Samples were extracted with ethyl acetate:hexane (1:1, v/v) and cleaned-up with graphitized carbon black/primary secondary amine (GCB/PSA) solid-phase extraction (SPE) cartridges using acetonitrile:toluene (3:1, v/v) as eluent. The addition of analyte protectants (3-ethoxy-1,2-propanediol, d-sorbitol and l-gulonic acid γ-lactone) in the final extracts allowed to avoid the matrix-induced response enhancement effect on quantitation process with absolute recoveries ca. 100%. Precision (expressed as relative standard deviation) was lower than 16% for all fungicides. Limits of detection and quantitation were lower than 0.01 mg/kg or mg/L, except for cyazofamid, much smaller in all cases than maximum residue levels (MRLs) established by European Union for grapes and by Switzerland and Italy for wines. The proposed method was applied to determine fungicide residues in three different white grapes for vinification produced in Ribeiro area in Galicia (NW Spain), as well as in their corresponding final wines.     

A note on the second problem of Stokes for Maxwell fluids

New exact solutions corresponding to the second problem of Stokes for Maxwell fluids have been established by means of Laplace transforms. For large times, these solutions reduce to the well-known steady-state solutions which are periodic in time and independent of the initial conditions. Furthermore, the transient solutions are in accordance with the previous solutions obtained using the Fourier sine transform. The required time to get the steady-state is determined by graphical illustrations. This time decreases if the frequency of the velocity increases. The effects of the material parameters on the decay of the transients in time are also investigated by graphs.     

新型氧化锌纳米材料在电化学检测对硝基苯酚中的应用

通过溶剂热法控制合成了花生形氧化锌纳米材料,并利用扫描电子显微镜(SEM)、X射线粉末衍射仪(XRD)和傅里叶变换红外光谱(FTIR)对材料进行了表征和分析.循环伏安和Nyquist测试结果表明,该材料具有良好的电化学导电性,且对对硝基苯酚(p-NP)具有良好的选择性.侧分脉冲伏安法(DPV)测试结果表明,在p-NP浓度为0.8~24μmol/L和32~80μmol/L这2个浓度范围内,电流强度与浓度呈线性关系,通过3倍信噪比计算得出检测限分别为0.25和0.61μmol/L.该材料修饰的电极具有良好的稳定性和重现性,用于实际样品中p-NP含量的测定显示出优良的效果.     

A new method for the synthesis of organic–polyoxometallate hybrid compounds

The reaction of the Na₂MoO₄ or Na₂WO₄ salt with organic amine and PCl₅, SiCl₄ or TiCl₄ in hydrochloric acid medium under hydrothermal conditions yields organic–polyoxometallate hybrid compounds, with the following reaction formula: Na₂MO₄ + Lewis-base + XCl_n + HCl → (Lewis-baseH)_m(XM₁₂O₄₀) + NaCl + H₂O (M = Mo or W; X = P, Si, Ti,; n = 3–5). By using this method, four new complexes, [(CH₃)₂NH]₃[H₃PW₁₂O₄₀] (1), (C₂H₅OH)₃(H₃PMo₁₂O₄₀) (2), [DMDA]₂[H₄SiW₁₂O₄₀]·H₂O (3) (DMDA = 1 N,3 N-dimethyl-1,3-diazolidine) and [(DAN)₆][H₄TiW₁₂O₄₀]·4H₂O (DAN = 4,4′-dianiline) (4), were obtained, and their crystal structures are reported. Thermal analysis of 1, 2 and 4 has been carried out. The thermal analysis indicates that the Keggin anion skeleton begins to decompose at about 300 °C. The possibility of constructing hydrogen-bond interactions by association between the polyoxometallate and the organic compound is explored. The roles of solvents and organic groups in the formation of specific crystalline architectures are discussed. The crystal structure of [H₄TiW₁₂O₄₀], a hetero-transition-metal Keggin polyoxometallate with a square-plane TiO₄, has been reported. Four architectures developed by hydrogen-bond associations of different Keggin polyoxometallates and organic bearing N–H or O–H donor functions are described. The selected organic modules (4,4′-dianiline, 1,3-dimethylimidazolidine, dimethylamine and ethanol) possess hydrogen-donor functions to allow them to act as bridges between polyoxometallate groups. Depending on the nature of the donor group, the number of hydrogens available for bonding, the geometric features and the sizes of the organic modules, diverse assembling patterns have been observed ranging from one-dimensional to three-dimensional networks. For all the networks, H₃O⁺ and H⁺ act as actual linkers between the molecular units.     

Aspirin attenuates the anti-inflammatory effects of theophylline via inhibition of cAMP production in mice with non-eosinophilic asthma

Theophylline is commonly used to treat severe asthma and chronic obstructive pulmonary disease (COPD) characterized by non-eosinophilic inflammation. Acetyl salicylic acid (ASA) is one of the most widely used medications worldwide, but up to 20% of patients with asthma experience aggravated respiratory symptoms after taking ASA. Here we evaluated the adverse effect of ASA on the therapeutic effect of theophylline in mice with non-eosinophilic asthma. A non-eosinophilic asthma mouse model was induced by airway sensitization with lipopolysaccharide-containing allergen and then challenged with allergen alone. Therapeutic intervention was performed during allergen challenge. Theophylline inhibited lung inflammation partly induced by T_h1 immune response. ASA attenuated the beneficial effects of theophylline. However, co-administration of the ASA metabolite salicylic acid (SA) showed no attenuating effect on theophylline treatment. The therapeutic effect of theophylline was associated with increase in cAMP levels, which was blocked by co-treatment of theophylline and ASA. ASA co-treatment also attenuated the anti-inflammatory effects of a specific phosphodiesterase 4 inhibitor. These results demonstrate that ASA reverses anti-inflammatory effects of theophylline, and that ASA exerts its adverse effects through the inhibition of cAMP production. Our data suggest that ASA reverses lung inflammation in patients taking theophylline, although clinical evidence will be needed.     

Density functional theory for reactions of astrophysical interest

For astrophysical processes nuclear reactions close to the particle emission threshold are of particular importance. As representative examples we investigate pairing resonances and new low-energy multipole modes in light and heavy exotic nuclei with a large charge asymmetry. As a common theoretical background, density functional theory and Fermi Liquid Theory are used. In particular, we consider the spectroscopy particle unstable systems, carrying the properties of open quantum systems. Results for the continuum spectroscopy of ¹⁰Li, the neutron-rich carbon isotopes, and the electromagnetic response of Sn-isotopes ¹³⁸Ba are presented.     

A fractional order epidemic model for the simulation of outbreaks of influenza A(H1N1)

In this paper, we propose a nonlinear fractional order model in order to explain and understand the outbreaks of influenza A(H1N1). In the fractional model, the next state depends not only upon its current state but also upon all of its historical states. Thus, the fractional model is more general than the classical epidemic models. In order to deal with the fractional derivatives of the model, we rely on the Caputo operator and on the Grünwald–Letnikov method to numerically approximate the fractional derivatives. We conclude that the nonlinear fractional order epidemic model is well suited to provide numerical results that agree very well with real data of influenza A(H1N1) at the level population. In addition, the proposed model can provide useful information for the understanding, prediction, and control of the transmission of different epidemics worldwide. Copyright © 2013 John Wiley & Sons, Ltd.