Properly coloured copies and rainbow copies of large graphs with small maximum degree

Let G be a graph on n vertices with maximum degree Δ. We use the Lovász local lemma to show the following two results about colourings χ of the edges of the complete graph K_n. If for each vertex v of K_n the colouring χ assigns each colour to at most (n ‐ 2)/(22.4Δ²) edges emanating from v, then there is a copy of G in K_n which is properly edge‐coloured by χ. This improves on a result of Alon, Jiang, Miller, and Pritikin [Random Struct. Algorithms 23(4), 409–433, 2003]. On the other hand, if χ assigns each colour to at most n/(51Δ²) edges of K_n, then there is a copy of G in K_n such that each edge of G receives a different colour from χ. This proves a conjecture of Frieze and Krivelevich [Electron. J. Comb. 15(1), R59, 2008]. Our proofs rely on a framework developed by Lu and Székely [Electron. J. Comb. 14(1), R63, 2007] for applying the local lemma to random injections. In order to improve the constants in our results we use a version of the local lemma due to Bissacot, Fernández, Procacci, and Scoppola [preprint, arXiv:0910.1824]. © 2011 Wiley Periodicals, Inc. Random Struct. Alg., 40, 425–436, 2012     

Resonant Raman spectroscopy and spectroelectrochemistry characterization of carbon nanotubes/polyaniline thin film obtained through interfacial polymerization

Thin, transparent, and self‐assembled films of neat polyaniline and polyaniline/carbon nanotube nanocomposites were deposited over glass substrates by interfacial polymerization. The effect of the carbon nanotubes on the structure and conformation of the polyaniline, and the type of interaction between the polymer and the nanotubes, have been studied by resonant Raman spectroscopy and UV–Vis and Raman spectroelectrochemistry. The results indicate clearly that the carbon nanotubes induce important changes in the electronic structure of the polymer, resulting in a more polaronic organization. Additionally, an effective interaction between the polymer and the nanotube, based on a polyaniline‐to‐nanotube charge transfer, is proposed in this work. Copyright © 2012 John Wiley & Sons, Ltd.     

Generalization of thermodynamic potentials including information

In this work we analyze the connection between information theory and thermodynamics. Three different potentials are presented, all related to the Kullback–Leibler divergence. These potentials represent three different conditions of energy and information exchange between a reservoir and a subsystem. The first potential describes a situation where the two systems are exchanging energy without any external control. The second potential considers the situation where the reservoir can get information through the state of another secondary system about the internal state of the subsystem. This information can then be used by a Maxwell demon to increase the free energy of the subsystem. In this second scenario it is assumed that the energy cost of the information probe and the Maxwell demon are at the expense of the reservoir. Finally, a third case is considered where the information obtained through the secondary system is used not only to manipulate an internal Maxwell demon, but to perform directly work over the subsystem. This last case involves a direct modification of the Hamiltonian of the subsystem.     

Identification and structural characterization by LC-ESI-IONTRAP and LC-ESI-TOF of some metabolic conjugation products of homovanillic acid in urine of neuroblastoma patients

The levels of urinary catecholamine metabolites, such as homovanillic acid (HVA) and vanillylmandelic acid, are routinely used as a clinical tool in the diagnosis and follow-up of neuroblastoma (NB) patients. Recently, in the Clinical Pathology Laboratory Unit of G. Gaslini Children Hospital, a commercial method that employs liquid chromatography coupled to electrochemical detection (LC-EC) has been introduced for the measurement of these metabolites in the routine laboratory practice. Using this LC-EC method, an unknown peak could be observed only in samples derived from NB patients. To investigate the nature of this peak, we used a combination of liquid chromatography-time-of-flight mass spectrometry (LC-TOF-MS) and liquid chromatography-ion trap tandem mass spectrometry (LC-IT-MS). The first approach was used to obtain the elemental composition of the ions present in this new signal. To get additional structural information useful for the elucidation of unknown compounds, the ion trap analyzer was exploited. We were able to identify not just one, but three unknown signals in urine samples from NB patients which corresponded to three conjugated products of HVA: HVA sulfate and two glucuronoconjugate isomers. The enzymatic hydrolysis with β-glucuronidase confirmed the proposed structures, while the selective alkaline hydrolysis allowed us to distinguish the difference between phenol- and acyl-glucuronide of HVA. The latter was the unknown peak observed in LC-EC separations of urine samples from NB patients.     

Analysis and classification of bacteria by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and a chemometric approach

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a useful technique for the identification of bacteria on the basis of their characteristic protein mass spectrum fingerprint. Highly standardized instrumental analytical performance and bacterial culture conditions are required to achieve useful information. A chemometric approach based on multivariate analysis techniques was developed for the analysis of MALDI data of different bacteria to allow their identification from their fingerprint. Principal component analysis, linear discriminant analysis (LDA) and soft independent modelling of class analogy (SIMCA) were applied to the analysis of the MALDI MS mass spectra of two pathogenic bacteria, Escherichia coli O157:H7 and Yersinia enterocolitica, and the non-pathogenic E. coli MC1061. Spectra variability was assessed by growing bacteria in different media and analysing them at different culture growth times. After selection of the relevant variables, which allows the evaluation of an m/z value pattern with high discriminant power, the identification of bacteria by LDA and SIMCA was performed independently of the experimental conditions used. In order to better evaluate the analytical performance of the approach used, the ability to correctly classify different bacteria, six wild-type strains of E. coli O157:H7, was also studied and a combination of different chemometric techniques with a severe validation was developed. The analysis of spiked bovine meat samples and the agreement with an independent chemiluminescent enzyme immunoassay demonstrated the applicability of the method developed for the detection of bacteria in real samples. The easy automation of the MALDI method and the ability of multivariate techniques to reduce interlaboratory variability associated with bacterial growth time and conditions suggest the usefulness of the proposed MALDI MS approach for rapid routine food safety checks. Figure Workflow of the developed MALDI-TOF MS and chemometric approach for the analysis and classification of bacteria Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Rapid-resolution liquid chromatography/mass spectrometry for determination and quantitation of polyphenols in grape berries

A rapid-resolution liquid chromatography/mass spectrometric (RRLC/MS) method for detection and quantitation of polyphenols in grape berry skins and seeds has been developed. Pulp-free berry skins were treated with liquid nitrogen and ground; seeds were also ground. Then, 3 g of samples were extracted with 30 mL of a mixture of methanol/water/formic acid 70:30:1 (v/v/v) under sonication and 1 microL of the final extract was injected into two 100 x 2.1 mm i.d., 1.8 microm Zorbax Eclipse plus C18 columns connected in series. Compounds were fractionated using a gradient elution of acidified acetonitrile/methanol 50:50 (v/v)/water. Columns were thermostatted at 70 degrees C. MS was carried out on an Agilent 6410 QqQ instrument equipped with an electrospray ionization source. Positive and negative MS/MS product ion scans were used for compound identification, whereas positive full scan MS in the m/z range 200-1400 was used for quantitation. By means of mass spectra comparison, various flavonols, flavan-3-ols, anthocyanins and stilbenes were identified. Quantitation was performed by external calibration, and concentration values were corrected for matrix effect that was evaluated in separate experiments. Semi-quantitative estimation was performed for compounds for which standards were not commercially available. Recoveries ranged from 90-102% with relative standard deviation (RSD) <5%, whereas the between samples RSD was in the range 4-12%. Two surrogate standards were used for quality control. The developed method was applied to analyze the polyphenol content of three Vitis vinifera table cultivars at physiological maturity and after proper preservation for 6 weeks. Results demonstrated that during preservation about half of the polyphenol content was lost.     

Evaluation of the atmospheric pressure photoionization source for the determination of benzidines and chloroanilines in water and industrial effluents by high performance liquid chromatography-tandem mass spectrometry

A solid phase extraction-high performance liquid chromatography-tandem mass spectrometry based analytical method suitable for simultaneous analysis of benzidine, 3,3′-dichlorobenzidine, mono-, di-, and tri-chloroanilines has been developed.Normal phase separation by liquid chromatography was performed using a cyano propyl methyl silica column, and atmospheric pressure photoionization was employed as interface with mass spectrometer.The developed method was evaluated in terms of limit of detection, accuracy, and precision. The quantification limit for all the compounds ranged between 7 and 112 ng L⁻¹, while recovery for all the compounds was higher than 94%. The method was tested by analyzing different industrial wastes, showing residual contamination by most of the analytes.     

Crisis in complex social systems: A social theory view illustrated with the chilean case

The article argues that crises are a distinctive feature of complex social systems. A quest for connectivity of communication leads to increase systems' own robustness by constantly producing further connections. When some of these connections have been successful in recent operations, the system tends to reproduce the emergent pattern, thereby engaging in a non‐reflexive, repetitive escalation of more of the same communication. This compulsive growth of systemic communication in crisis processes, or logic of excess, resembles the dynamic of self‐organized criticality. Accordingly, we first construct the conceptual foundations of our approach. Second, we present three core assumptions related to the generative mechanism of social crises, their temporal transitions (incubation, contagion, restructuring), and the suitable modeling techniques to represent them. Third, we illustrate the conceptual approach with a percolation model of the crisis in Chilean education system. © 2016 Wiley Periodicals, Inc. Complexity 21: 13–23, 2016