Techniques to Treat the Continuum Applied to Electromagnetic Transitions in 8Be

Bremsstrahlung emission in collisions between charged nuclei is equivalent to nuclear gamma decay between continuum states. The way the continuum spectrum can be treated is not unique, and efficiency and accuracy of cross section calculations depend on the chosen method. In this work we describe, relate, and compare three different methods in practical calculations of inelastic cross sections, that is, by (i) treating the initial and final states as pure continuum states on the real energy axis, (ii) discretizing the continuum states on the real energy axis with a box boundary condition, and (iii) complex rotation of the hamiltonian (complex scaling method). The electric quadrupole transitions, 2⁺ → 0⁺ and 4⁺ → 2⁺, in α + α scattering are taken as an illustration.     

NMR line‐fitting quantification of polysaccharide N‐acylurea‐based modification in glycoconjugates of Salmonella Typhi Vi polysaccharide

The polysaccharides modification via carbodiimide reaction is one of the most applied methods for obtaining conjugated vaccines against Salmonella enterica. However, N‐acylurea carbodiimide adduct generated in the process is a critical impurity in carbohydrate‐based vaccines. A quantitative NMR method was developed for assessing the N‐acylurea carbodiimide adduct impurity. The procedure was based on line‐fitting facilities for processing the NMR signals on complex spectra. The method showed good linearity, accuracy and precision under inter‐operator variation (relative standard deviation <5%). Copyright © 2017 John Wiley & Sons, Ltd.     

Multiresidue method for the fast determination of pesticides in nutraceutical products (Camellia sinensis) by GC coupled to triple quadrupole MS

A method based on QuEChERS (quick, easy, cheap, effective, rugged, and safe) has been developed and validated for the determination and quantification of more than 140 pesticides in nutraceutical products obtained from green tea (Camellia sinensis). Extraction was performed with acidified acetonitrile (acetic acid 1%, v/v) and a clean‐up step using primary secondary amine (50 mg), graphitized black carbon (100 mg) and magnesium sulfate (200 mg) was needed. Pesticide determination was achieved utilizing GC coupled to triple quadrupole MS/MS using the selective‐reaction monitoring mode. The total run time was 23 min. Pesticides were quantified using matrix‐matched calibration. Recoveries ranged from 70 to 120% and relative SD was lower than 25% at 10, 50, and 100 μg/kg. LOQs were lower than 10 μg/kg. 148 pesticides were validated. The validated method was applied to commercial nutraceutical products, detecting 4,4‐dichlorobenzophenone (28 μg/kg), o,p′‐dicofol (38 μg/kg) and p,p‐dicofol (44 μg/kg) in a few samples.     

In Vitro Evaluation of the Photoreactivity and Phototoxicity of Natural Polyphenol Antioxidants

Polyphenols are a large family of natural compounds widely used in cosmetic products due to their antioxidant and anti-inflammatory beneficial properties and their ability to prevent UV radiation-induced oxidative stress. Since these compounds present chromophores and are applied directly to the skin, they can react with sunlight and exert phototoxic effects. The available scientific information on the phototoxic potential of these natural compounds is scarce, and thus the aim of this study was to evaluate the photoreactivity and phototoxicity of five phenolic antioxidants with documented use in cosmetic products. A standard ROS assay was validated and applied to screen the photoreactivity of the natural phenolic antioxidants caffeic acid, ferulic acid, p-coumaric acid, 3,4-dihydroxyphenylacetic acid (DOPAC), and rutin. The phototoxicity potential was determined by using a human keratinocyte cell line (HaCaT), based on the 3T3 Neutral Red Uptake phototoxicity test. Although all studied phenolic antioxidants absorbed UV/Vis radiation in the range of 290 to 700 nm, only DOPAC was able to generate singlet oxygen. The generation of reactive oxygen species is an early-stage chemical reaction as part of the phototoxicity mechanism. Yet, none of the studied compounds decreased the viability of keratinocytes after irradiation, leading to the conclusion that they do not have phototoxic potential. The data obtained with this work suggests that these compounds are safe when incorporated in cosmetic products.     

Comparison of solid phase microextraction and hollow fiber liquid phase microextraction for the determination of pesticides in aqueous samples by gas chromatography triple quadrupole tandem mass spectrometry

This work compares two miniaturised sample preparation methods, solid phase microextraction (SPME) and hollow fiber liquid phase microextraction (HF-LPME), in combination with gas chromatography coupled to tandem mass spectrometry with a triple quadrupole analyzer for the determination of 77 pesticides in drinking water. In the case of SPME, extraction temperature and time were optimized by experimental design, although other parameters, as desorption time, pH, and ionic strength, were also evaluated. The extraction and desorption solvents [octanol/dihexyl ether (75:25, v/v) and cyclohexane, respectively], as well as the extraction and desorption time, ionic strength, and pH, were studied for the HF-LPME procedure. Under the optimal conditions, recoveries (70.2–113.5% for SPME and 70.0–119.5% for HF-LPME), intra-day precision (2.1–19.4% for SPME and 4.3–22.5% for HF-LPME), inter-day precision (5.2–21.5% for SPME and 8.4–27.3% for HF-LPME), and limits of detection, between 0.1 and 28.8 ng/L for SPME and 0.2 and 47.1 ng/L for HF-LPME and overall uncertainty (9.6–25.2% for SPME and 13.3–27.5% for HF-LPME) were established for both extraction procedures. Finally, the proposed methods were successfully applied to the analysis of 41 drinking water samples, and similar results were obtained with both extraction approaches.     

Fourier Inversion Formulas in Option Pricing and Insurance

Several authors have used Fourier inversion to compute prices of puts and calls, some using Parseval’s theorem. The expected value of max (S – K, 0) also arises in excess-of-loss or stop-loss insurance, and we show that Fourier methods may be used to compute them. In this paper, we take the idea of using Parseval’s theorem further: (1) formulas requiring weaker assumptions; (2) relationship with classical inversion theorems for probability distributions; (3) formulas for payoffs which occur in insurance. Numerical examples are provided.      

Analyses of intrinsic inhomogeneity and metal segregation in samples of Ag–Ge–Se glasses

Ge_ySe_(1−y) glasses are semiconductors but when Ag is added above certain threshold concentration, Ag_x[Ge_ySe_(1−y)]_(100−x) glasses behave as fast ionic conductors [Ureña et al., Solid State Ionics 176 (2005) 505]. This peculiar behavior may be attributed to the intrinsically inhomogeneous nature of these glasses where zones rich in metals coexist with zones of the host material. The conductivity transformation may be ascribed to the percolation of the Ag rich phase [Pradel et al., J. Phys.: Condens. Matter 15 (2003) S1561].Ag_x[Ge_0.25Se_0.75]_(100−x) glasses either massive or as films were obtained by melt quenching and pulsed laser deposition (PLD), respectively, in compositions belonging to the Se rich corner of the ternary phase diagram. Their amorphous nature and intermediate range order was checked employing X-ray diffractometry (XRD), the short range order was characterized by extended X-ray absorption fine structure (EXAFS) (Ge and Se K absorption edge) and their microstructure was characterized by scanning electron microscopy (SEM) and small angle X-ray scattering (SAXS).     

Neural Networks in Which Synaptic Patterns Fluctuate with Time

We study a stochastic neural-network model in which neurons and synapses change with a priori probability p and 1–p, respectively, in the limit p0. This implies neuron activity competing with fast fluctuations of the synaptic connections—in fact, random oscillations around values given by a learning (for example, Hebb's) rule. The consequences for the system performance of a dynamics constantly checking at random the set of memorized patterns is thus studied both analytically and numerically. We describe various nonequilibrium phase transitions whose nature depends on the properties of fluctuations. We find, in particular, that under rather general conditions locally stable mixture states do not occur, and pattern recognition and retrieval processes are substantially improved for some classes of synaptic fluctuations.