LC–MS methods combination for identification and quantification of trans-sinapoylquinic acid regioisomers in green coffee

The present study aims to both identify and quantify trans-sinapoylquinic acid (SiQA) regioisomers in green coffee by combined UHPLC-ESI-QqTOF-MS/MS and UHPLC-ESI-QqQ-MS/MS methods. Among the various mono-acyl chlorogenic acids found in green coffee, SiQA regioisomers are the least studied despite having been indicated as unique phytochemical markers of Coffea canephora (known as Robusta). The lack of commercially available authentic standards has been bypassed by resorting to the advantages offered by high-resolution LC–MS as far as the identification is concerned. SiQA regioisomers have been identified in several samples of Robusta and Coffea arabica (known as Arabica) commercial lots from different geographical origin and, for the first time, in different samples of coffee wild species (Coffea liberica and Coffea pseudozanguebariae). Quantification (total SiQA ranging from 3 to 5 mg/100 g) let to reconsider these chlorogenic acids as unique phytochemical markers of Robusta being present in the same quantity and distribution in C. liberica as well. Gardeniae Fructus samples (fruits of Gardenia jasminoides) have additionally been characterized as this matrix is recognized as one of the few naturally occurring SiQA sources. The SiQA regioisomer content (total SiQA about 80 mg/100 mg) fully supports the proposal to use this matrix as a surrogate standard for further studies.     

Individual behavior and macro social properties. An agent-based model

The paper aims at presenting an agent-based modeling exercise to illustrate how small differences in the cognitive properties of agents can generate very different macro social properties. We argue that it is not necessary to assume highly complicated cognitive architectures to introduce cognitive properties that matter for computational social science purposes. Our model is based on different simulation settings characterized by a gradual sophistication of behavior of agents, from simple heuristics to macro-micro feedback and other second-order properties. Agents are localized in a spatial interaction context. They have an individual task but are influenced by a collective coordination problem. The simulation results show that agents can generate efficiency at a macro level particularly when socio-cognitive sophistication of their behavior increases.

Multiplicity of positive and nodal solutions for scalar field equations

In this paper the question of finding infinitely many solutions to the problem −Δu+a(x)u=|u|^p−2u$-\mathrm{\Delta }u+a(x)u={|u|}^{p-2}u$, in R^N${\mathbb{R}}^N$, u∈H¹(R^N)$u\in H^1({\mathbb{R}}^N)$, is considered when N≥2$N\ge 2$, p∈(2,2N/(N−2))$p\in (2,2N/(N-2))$, and the potential a(x)$a(x)$ is a positive function which is not required to enjoy symmetry properties. Assuming that a(x)$a(x)$ satisfies a suitable “slow decay at infinity” condition and, moreover, that its graph has some “dips”, we prove that the problem admits either infinitely many nodal solutions or infinitely many constant sign solutions. The proof method is purely variational and allows to describe the shape of the solutions.     

An efficient simulation algorithm for the generalized von Mises distribution of order two

In this article we propose an exact efficient simulation algorithm for the generalized von Mises circular distribution of order two. It is an acceptance-rejection algorithm with a piecewise linear envelope based on the local extrema and the inflexion points of the generalized von Mises density of order two. We show that these points can be obtained from the roots of polynomials and degrees four and eight, which can be easily obtained by the methods of Ferrari and Weierstrass. A comparative study with the von Neumann acceptance-rejection, with the ratio-of-uniforms and with a Markov chain Monte Carlo algorithms shows that this new method is generally the most efficient.     

KAM for quasi-linear and fully nonlinear forced perturbations of Airy equation

We prove the existence of small amplitude quasi-periodic solutions for quasi-linear and fully nonlinear forced perturbations of the linear Airy equation. For Hamiltonian or reversible nonlinearities we also prove their linear stability. The key analysis concerns the reducibility of the linearized operator at an approximate solution, which provides a sharp asymptotic expansion of its eigenvalues. For quasi-linear perturbations this cannot be directly obtained by a KAM iteration. Hence we first perform a regularization procedure, which conjugates the linearized operator to an operator with constant coefficients plus a bounded remainder. These transformations are obtained by changes of variables induced by diffeomorphisms of the torus and pseudo-differential operators. At this point we implement a Nash–Moser iteration (with second order Melnikov non-resonance conditions) which completes the reduction to constant coefficients.     

Evolving timetabling heuristics using a grammar-based genetic programming hyper-heuristic framework

This paper introduces a Grammar-based Genetic Programming Hyper-Heuristic framework (GPHH) for evolving constructive heuristics for timetabling. In this application GP is used as an online learning method which evolves heuristics while solving the problem. In other words, the system keeps on evolving heuristics for a problem instance until a good solution is found. The framework is tested on some of the most widely used benchmarks in the field of exam timetabling and compared with the best state-of-the-art approaches. Results show that the framework is very competitive with other constructive techniques, and did outperform other hyper-heuristic frameworks on many occasions.     

Supersolvable LL-lattices of binary trees

Some posets of binary leaf-labeled trees are shown to be supersolvable lattices and explicit EL-labelings are given. Their characteristic polynomials are computed, recovering their known factorization in a different way.     

On the varieties defined by Riemann-Mumford's relations

In this paper we consider varieties defined by Riemann-Mumford's relations. An irreducible component of these varieties is related to Siegel modular varieties. We prove that in most cases Riemann-Mumford varieties are not irreducible.