Alexandra Berlioz‐Barbier

IFP Énergies nouvelles

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Luís P. de Oliveira

IFP Énergies nouvelles

Julie Guillemant

Total (Belgium)

Ludovic Duponchel

Laboratoire de Spectroscopie pour les Interactions, la Réactivité et l'Environnement

J.P. Joly

IFP Énergies nouvelles

Marion Lacoue-Nègre

IFP Énergies nouvelles

Florian Albrieux

IFP Énergies nouvelles

Emmanuelle Vulliet

Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement

Cécile Cren‐Olivé

Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement

Laure Wiest

Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement

Jeanne Garric

Communauté urbaine de Lyon

Cooperative Institutions

Centre National de la Recherche Scientifique

Université Claude Bernard Lyon 1

École Normale Supérieure de Lyon

Institut des Sciences Analytiques

IFP Énergies nouvelles

Institut de Génomique Fonctionnelle de Lyon

Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement

Institut National de Recherche pour l'Agriculture, l'Alimentation et l'Environnement

Communauté urbaine de Lyon

École Normale Supérieure - PSL

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Molecular analysis of nitrogen-containing compounds in vacuum gas oils hydrodenitrogenation by (ESI+/-)-FTICR-MS

Fuel (2022)

Polina Mikhaylova Luís P. de Oliveira Isabelle Merdrignac Alexandra Berlioz‐Barbier Marouan Nemri

Hydrodenitrogenation

10.1016/j.fuel.2022.124302

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Citations (10)

A national reconnaissance for selected organic micropollutants in sediments on French territory

Environmental Science and Pollution Research (2014)

Emmanuelle Vulliet Alexandra Berlioz‐Barbier Florent Lafay Robert Baudot Laure Wiest

QuEChERS

10.1007/s11356-014-3089-z

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Citations (25)

Exploration of the Reactivity of Heteroatomic Compounds Contained in Vacuum Gas Oils during Hydrotreatment Using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Energy & Fuels (2020)

Julie Guillemant Alexandra Berlioz‐Barbier Luís P. de Oliveira Florian Albrieux Marion Lacoue-Nègre

When studying the evolution of refractory species during hydrotreatment, the polyheteroatomic compounds containing both nitrogen and sulfur or nitrogen and oxygen atoms are sometimes neglected. However, even a low amount of these compounds could reduce the efficiency of the removal of N1 or S1 compounds, which is the main target of hydrotreatment. In this paper, three different vacuum gas oil feedstocks were analyzed along with their corresponding hydrotreated samples using electrospray ionization (ESI(+) and ESI(−)) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) analyses. The evolution of the aromaticity and the alkylation of the polyheteroatomic compounds during hydrotreatment were followed using double bond equivalent (DBE) versus the number of carbon atoms (DBE = f(#C) plots). Moreover, as the hydrotreated samples were produced using the same operating conditions, the reactivity of the different feeds has been assessed. Finally, an additional hydrotreated sample was produced using a higher temperature and analyzed, allowing us to monitor the impact of temperature on the removal of the heteroatomic species. From a general point of view, basic polyheteroatomic species are more refractory than neutral or acidic polyheteroatomic species. It has also been shown that depending on the heteroatomic class considered, the hydrotreated samples could exhibit different aromaticity and alkylation distributions, whereas the distributions of the feeds were similar, which is characteristic of different hydrotreatment mechanisms. Finally, the positive impact of higher operating temperature on the removal of most of the species but in different ratios has been clearly demonstrated. This study takes advantage of FT-ICR MS to monitor the evolution of refractory species during hydrotreatment as well as being a powerful tool to put forward the reactivity differences between several feedstocks or study the impact of hydrotreatment operating conditions.

Reactivity

Ion cyclotron resonance

10.1021/acs.energyfuels.0c01760

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Citations (5)

Cooption of the pteridine biosynthesis pathway underlies the diversification of embryonic colors in water striders

Proceedings of the National Academy of Sciences (2019)

Aïdamalia Vargas-Lowman David Armisén Carla Fernanda Burguez Floriano Isabelle da Rocha Silva Cordeiro Séverine Viala

Naturalists have been fascinated for centuries by animal colors and color patterns. While widely studied at the adult stage, we know little about color patterns in the embryo. Here, we study a trait consisting of coloration that is specific to the embryo and absent from postembryonic stages in water striders (Gerromorpha). By combining developmental genetics with chemical and phylogenetic analyses across a broad sample of species, we uncovered the mechanisms underlying the emergence and diversification of embryonic colors in this group of insects. We show that the pteridine biosynthesis pathway, which ancestrally produces red pigment in the eyes, has been recruited during embryogenesis in various extraocular tissues including antennae and legs. In addition, we discovered that this cooption is common to all water striders and initially resulted in the production of yellow extraocular color. Subsequently, 6 lineages evolved bright red color and 2 lineages lost the color independently. Despite the high diversity in colors and color patterns, we show that the underlying biosynthesis pathway remained stable throughout the 200 million years of Gerromorpha evolutionary time. Finally, we identified erythropterin and xanthopterin as the pigments responsible for these colors in the embryo of various species. These findings demonstrate how traits can emerge through the activation of a biosynthesis pathway in new developmental contexts.

Eye color

Convergent evolution

Pteridine

10.1073/pnas.1908316116

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Citations (34)

Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices

Scientific Reports (2021)

Julie Guillemant Marion Lacoue-Nègre Alexandra Berlioz‐Barbier Florian Albrieux Luís P. de Oliveira

Abstract Ultra high-resolution mass spectrometry (FT-ICR MS) coupled to electrospray ionization (ESI) provides unprecedented molecular characterization of complex matrices such as petroleum products. However, ESI faces major ionization competition phenomena that prevent the absolute quantification of the compounds of interest. On the other hand, comprehensive two-dimensional gas chromatography (GC × GC) coupled to specific detectors (HRMS or NCD) is able to quantify the main families identified in these complex matrices. In this paper, this innovative dual approach has been used to evaluate the ionization response of nitrogen compounds in gas oils as a case study. To this extent, a large gas oil dataset has been analyzed by GC × GC/HRMS, GC × GC-NCD and ESI(+/−)-FT-ICR MS. Then, the concentrations obtained from GC × GC-NCD have been compared to those obtained from FT-ICR MS hence proving that strong ionization competitions are taking place and also depending on the origin of the sample. Finally, multilinear regressions (MLR) have been used to quantitatively predict nitrogen families from FT-ICR MS measurements as well as start rationalizing the ionization competition phenomena taking place between them in different types of gas oils.

Flame ionization detector

10.1038/s41598-021-85854-7

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Citations (14)

Evaluating the Benefits of Data Fusion and PARAFAC for the Chemometric Analysis of FT-ICR MS Data Sets from Gas Oil Samples

Energy & Fuels (2020)

Julie Guillemant Marion Lacoue-Nègre Alexandra Berlioz‐Barbier Luís P. de Oliveira Florian Albrieux

Advanced characterization of the products of the hydrotreatment of gas oils is of high interest for refiners and can be achieved using ultrahigh resolution mass spectrometry (FT-ICR MS). However, the analysis of gas oil samples by FT-ICR MS generates complex data sets with numerous variables whose exhaustive analysis requires the use of multivariate methods. Relevant information about nitrogen and sulfur compounds contained in several industrial gas oils are obtained by using three different ionization modes that are electrospray ionization (ESI) used in positive and negative polarities and atmospheric pressure photoionization (APPI) used in positive polarity. For data sets generated for a single ionization mode, classical multivariate methods such as Principal Component Analysis (PCA) are commonly used. When the key information is spread into several ionization modes and thus into several data sets, a data fusion approach is highly interesting to simultaneously explore these data sets and can be followed by Parallel Factor analysis (PARAFAC). Nevertheless, many more variables are simultaneously considered when data fusion is performed and the sensitivity of PARAFAC and its ability to extract the most relevant variables compared to classical multivariate methods has not been assessed yet in the framework of FT-ICR MS. In this paper, a comparison of the classical data analysis (PCA) approach and the data fusion combined with the PARAFAC analysis approach is presented. The results have shown that applying PARAFAC on fused data sets is highly sensitive and able to put forward features and variables that are individually identified through classical data analysis with greater ease of implementation and interpretation of results. As an example, dibenzothiophenes and carbazole families (DBE 9) have explained most of the variance between samples and remain the most refractory compounds in hydrotreated samples. A significant difference in alkylation between the different types of gas oils has also been spotted. This paper validates the power and efficiency of this approach to explore complex data sets simultaneously without any loss of significant information.

Sensor Fusion

Chemometrics

10.1021/acs.energyfuels.0c01104

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Citations (5)

Caged mudsnail Potamopyrgus antipodarum (Gray) as an integrated field biomonitoring tool: Exposure assessment and reprotoxic effects of water column contamination

Water Research (2014)

M. Gust François Gagné Alexandra Berlioz‐Barbier J. Besse Thierry Buronfosse

Vitellogenin

Nonylphenol

10.1016/j.watres.2014.01.057

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