Use of solid-phase micro-extraction as a sampling technique in the determination of volatiles emitted by flowers,isolated flower parts and pollen

The volatiles emitted by fresh whole flowers or isolated flower parts of mandarin, Citrus deliciosa Ten. (Rutaceae), were sampled using solid-phase micro-extraction (SPME). This technique offers several advantages over dynamic headspace sampling techniques used in previous investigations. In particular, SPME requires smaller sample sizes and very short sampling times, which can minimize the formation of artifacts due to damage to the plant, and contaminations or loss of compounds. This was especially applicable to the collection of volatiles from pollen.     

Some advances in the knowledge of grape, wine and distillates chemistry as achieved by mass spectrometry

Mass spectrometry plays a very important role in acquiring knowledge of the chemistry of grape and its derivative products. By liquid mass spectrometry, anthocyanins of grape were studied, and in hybrid grape extracts, delphinidin, cyanidin, petunidin and malvidin 3-O-(6-O-p-coumaroyl)-5-O-diglucosides were found. A semiquantitative procedure to estimate the amounts and percentages of monoglucoside and diglucoside anthocyanins without chromatography was developed. By gas chromatography mass spectrometry (GC/MS), aroma compounds of grape, wine and the distillate Italian grappa were studied, and molecular structures characterized. The representative aroma profile of Muscat grape was characterized by 23 terpenols, present in both free and bonded form, and direct correlation between aroma and genetic profile permitted to distinguish between different Muscat grape varieties. Aroma of Italian grappa resulted from and was characterized by several compounds linked to the grape variety, such as vitispiranes, terpenols, ethyl cinnamate, salicylic esters, benzaldehyde and farnesol. Synthesis of O-(2,3,4,5,6-pentafluorobenzyl)-hydroxylamine (PFBOA) derivatives and GC/MS analysis resulted in a sensitive and selective method to study carbonyl compounds at the low levels occurring in wine.     

Profiling of grape monoterpene glycosides (aroma precursors) by ultra‐high performance‐liquid chromatography‐high resolution mass spectrometry (UHPLC/QTOF)

A ‘suspect screening analysis’ method for grape metabolomics by ultra‐high performance‐liquid chromatography (UHPLC) and high‐resolution quadrupole‐time of flight (QTOF) mass spectrometry was recently developed. This method was applied to study grape monoterpene glycosides, the main grape aroma precursors. Since standard compounds were not available, they were tentatively identified by overlapping various analytical approaches, in agreement with the indications recommended in mass spectrometry (MS)‐based metabolomics. Accurate mass and isotopic pattern, MS/MS fragmentation, correlation between fragments observed and putative structures and between liquid chromatography coupled with mass spectrometry (LC/MS) and gas chromatography/mass spectrometry signals were studied. Seventeen monoterpene glycosides were identified without performing the hydrolytic artifacts commonly used to study these compounds which may affect sample profile. This is the first time that a detailed study of these aroma precursors has been carried out by direct LC/MS analysis. Copyright © 2014 John Wiley & Sons, Ltd.     

Logics for belief functions on MV-algebras

In this paper we present a generalization of belief functions over fuzzy events. In particular we focus on belief functions defined in the algebraic framework of finite MV-algebras of fuzzy sets. We introduce a fuzzy modal logic to formalize reasoning with belief functions on many-valued events. We prove, among other results, that several different notions of belief functions can be characterized in a quite uniform way, just by slightly modifying the complete axiomatization of one of the modal logics involved in the definition of our formalism.     

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.     

Differentiation of Vitis vinifera varieties by MALDI-MS analysis of the grape seed proteins

Until now the study of pathogenic related proteins in grape juice and wine, performed by ESI-MS, LC/ESI-MS, and MALDI/MS, has been proposed for differentiation of varieties. In fact, chitinases and thaumatin-like proteins persist through the vinification process and cause hazes and sediments in bottled wines. An additional instrument, potentially suitable for the grape varieties differentiation, has been developed by MALDI/MS for the grape seed protein analysis. The hydrosoluble protein profiles of seeds extract from three different Vitis vinifera grape (red and white) varieties were analyzed and compared. In order to evaluate the environmental conditions and harvest effects, the seed protein profiles of one grape variety from different locations and harvests were studied.     

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.

A (computational) social science perspective on societal transitions

This paper aims to illustrate how social sciences, sociology in particular, have theorized on societal transitions. The first section introduces some preliminary definitions. The assumption is that a societal transition is more than a social, economic or technological change. It is a large-scale and long-term macro process through which a given social system radically changes its structural basis, in terms of new socio-technical practices, governance rules, social and economic institutions, cultural frames, and patterns of social life. The second section provides an excursus on social science accounts on transitions. In particular, the attention has been given to Norbert Elias’ famous study on the rise and fall of the court society in France, between 17th and 18th century and to Manuel Castells’ recent analysis of the emergence of the network society. The third section discusses problems and challenges of standard approaches and suggests some building blocks of societal transition models, taken from complexity and social simulation literature. The concluding section suggests some way-forward measures towards a computational social science approach to societal transitions.