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3,402 results on '"Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL)"'

1. Click and Bioorthogonal Chemistry: The Future of Active Targeting of Nanoparticles for Nanomedicines?

Author

Carole Chaix, Emmanuel Moreau, Carole Farre, Ludivine Taiariol, Imagerie Moléculaire et Stratégies Théranostiques (IMoST), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Clermont Auvergne (UCA), Interfaces & biosensors - Interfaces & biocapteurs, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Chemistry, [SDV]Life Sciences [q-bio], Two step, Cancer therapy, Nanoparticle, Nanotechnology, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Nanomedicine, Click chemistry, Nanoparticles, [CHIM]Chemical Sciences, Click Chemistry, Bioorthogonal chemistry, 0210 nano-technology
Abstract

International audience; Over the years, click and bioorthogonal reactions have been the subject of considerable research efforts. These high-performance chemical reactions have been developed to meet requirements not often provided by the chemical reactions commonly used today in the biological environment, such as selectivity, rapid reaction rate and biocompatibility. Click and bioorthogonal reactions have been attracting increasing attention in the biomedical field for the engineering of nanomedicines. In this review, we study a compilation of articles from 2014 to the present, using the terms "click chemistry and nanoparticles (NPs)" to highlight the application of this type of chemistry for applications involving NPs intended for biomedical applications. This study identifies the main strategies offered by click and bioorthogonal chemistry, with respect to passive and active targeting, for NP functionalization with specific and multiple properties for imaging and cancer therapy. In the final part, a novel and promising approach for "two step" targeting of NPs, called pretargeting (PT), is also discussed; the principle of this strategy as well as all the studies listed from 2014 to the present are presented in more detail.

Published
2021

2. Quantitative Analysis of Hydrocarbons in Gas Oils by Two-Dimensional Comprehensive Gas Chromatography with Vacuum Ultraviolet Detection

Author

Chantal Lorentz, Christophe Geantet, Maxime Moreaud, Aleksandra Lelevic, Vincent Souchon, IRCELYON-Catalyse Hétérogène pour la Transition Energétique (CATREN), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), IFP Energies nouvelles (IFPEN), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Chromatography, Materials science, General Chemical Engineering, 010401 analytical chemistry, Energy Engineering and Power Technology, [CHIM.CATA]Chemical Sciences/Catalysis, 010501 environmental sciences, Lipids, [SDE.ES]Environmental Sciences/Environmental and Society, 01 natural sciences, 7. Clean energy, Hydrocarbons, Absorption, 0104 chemical sciences, Vacuum ultraviolet, Fuel Technology, 13. Climate action, [SDE]Environmental Sciences, Genetics, Gas chromatography, Quantitative analysis (chemistry), 0105 earth and related environmental sciences
Abstract

International audience; Gas oils (GOs) analysis is essential for production process control, in order to meet quality standards, to render these products safer for the environment, and to support research for alternative fuels. GOs quantitative analysis can be commonly achieved by employing two-dimensional comprehensive gas chromatography with flame ionization detection (GC × GC-FID) in combination with identification templates. However, in order to perform quantification for families which coelute in GC × GC analysis (e.g., naphthenes/olefins or polynaphthenes/monoaromatics), prefractionation of gas oil before GC × GC analysis is necessary. Recent introduction of the vacuum ultraviolet (VUV) detector has offered new possibilities in GOs analysis, as this detector can discern between the majority of hydrocarbon families thus possibly rendering the gas oil prefractionation unnecessary. Additionally, it can perform quantification according to Beer–Lambert’s law provided that VUV relative response factors (RRFs) are known. The purpose of this work is to report, for the first time, VUV RRFs for numerous hydrocarbons in GOs (∼160) according to their family and their carbon number, permitting to perform their direct quantification without the necessity of GO prefractionation. VUV RRFs were measured by using a GC × GC-VUV/FID dual detection setup in which FID was employed as a quantitative reference. In order to obtain VUV RRFs representative for any gas oil, a set of 14 GOs with different origins was employed. Both VUV RRFs averaged in the 125–240 nm range and spectral VUV RRFs (reference spectra) were obtained. It was demonstrated that VUV RRFs were similar between employed GOs allowing their universal use. Obtained RRFs were used to perform hydrocarbons quantification for a light cycle oil (LCO) by GC × GC-VUV, with olefins and naphthenes being quantified through spectral decomposition. Good comparability with results obtained by prefractionation was observed demonstrating the great interest of the GC × GC-VUV approach for the detailed and rapid analysis of hydrocarbons in gas oils.

Published
2021

3. The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal‐organic Mo‐Oxo catalyst

Author

Christophe Morell, Jorge Ignacio Martínez-Araya, Universidad Andrés Bello [Santiago] (UNAB), Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Fondo Nacional de Desarrollo Cientifico y Tecnologico, Grant/Award Number: 1181504

Subjects
metal, Conceptual Density, Substituent, 010402 general chemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, 0103 physical sciences, Pyridine, [CHIM]Chemical Sciences, Reactivity (chemistry), density polarization, Polarization (electrochemistry), organic Mo-oxo complexes, ComputingMilieux_MISCELLANEOUS, mesomeric effect, 010304 chemical physics, Geminal, Ligand, linear response function, General Chemistry, Mesomeric effect, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Computational Mathematics, Crystallography, chemistry, Functional Theory, substituent effect
Abstract

Some Mo-oxo complexes bearing pyridine rings have the capability for dihydrogen production from water. However, energy barrier and overall energy vary depending on the effect exerted by several substituent groups located at different positions around one or more pyridine rings which are ligands of these compounds. Based on the Karunadasa and coworkers investigation where the para-position was experimentally tested in compounds derivatised from the 2,6-bis[1,1-bis(2-pyridil)ethyl]-pyridine oxo-molybdenum complex synthesized (Karunadasa et al., Nature, 2010, 464, 1329), we tested the combined effect of electron-withdrawing and electron-donating groups simulated as perturbations represented by point-charges. Then, we used the density polarization concept, δρ(r), a local reactivity descriptor corresponding to the partially integrated linear response function, χ(r, r') (a non-local reactivity descriptor), which is able to reveal different displacements of π-electrons on molecular structures. We perturbed the para-positions in the pentadentate ligand 2,6-bis[1,1-bis(2-pyridil)ethyl]-pyridine in the Mo-based complex by means of point-charges. They were located in three different configurations of the organic ligand (trans, geminal, and cis) which could help to explain energy barriers and overall energy of reactions catalyzed by this type of Mo-complexes. Our results indicate that the trans configuration of point-charges induces the most amount of fraction of electron shifted on the complex. A Mo-based complex bearing the same trans configuration for electron-withdrawing and electron-donating substituent groups (cyano and amino, respectively), leads to a kinetically more favorable H2 release than the cis or geminal configuration of the substituent groups aforementioned.

Published
2021

4. Orbitool: a software tool for analyzing online Orbitrap mass spectrometry data

Author

R. Cai, Y. Li, Y. Clément, D. Li, C. Dubois, M. Fabre, L. Besson, S. Perrier, C. George, M. Ehn, C. Huang, P. Yi, Y. Ma, M. Riva, Institute for Atmospheric and Earth System Research (INAR), IRCELYON-Ingéniérie, du matériau au réacteur (ING), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), IRCELYON-Catalytic and Atmospheric Reactivity for the Environment (CARE), and IRCELYON-Spectroscopie raman (RAMAN)

Subjects
Atmospheric Science, Measure (data warehouse), Chemical ionization, 010504 meteorology & atmospheric sciences, lcsh:TA715-787, Noise (signal processing), Noise reduction, lcsh:Earthwork. Foundations, 010401 analytical chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, Mass spectrometry, Orbitrap, [SDE.ES]Environmental Sciences/Environmental and Society, 114 Physical sciences, 01 natural sciences, Signal, lcsh:Environmental engineering, 0104 chemical sciences, law.invention, law, Mass spectrum, Environmental science, lcsh:TA170-171, 0105 earth and related environmental sciences, Remote sensing
Abstract

The Orbitrap mass spectrometer has recently been proved to be a powerful instrument to accurately measure gas-phase and particle-phase organic compounds with a greater mass resolving power than other widely used online mass spectrometers in atmospheric sciences. We develop an open-source software tool (Orbitool, https://orbitrap.catalyse.cnrs.fr, last access: 4 February 2021) to facilitate the analysis of long-term online Orbitrap data. Orbitool can average long-term data while improving the mass accuracy by re-calibrating each mass spectrum, assign molecular formulae of compounds and their isotopes to measured signals, and export time series and mass defect plots. The noise reduction procedure in Orbitool can separate signal peaks from noise and reduce the computational and storage expenses. Chemical ionization Orbitrap data from laboratory experiments on ozonolysis of monoterpenes and ambient measurements in urban Shanghai were used to test Orbitool. For the test dataset, the average mass accuracy was improved from to ppm by mass calibrating each spectrum. The denoising procedure removed 97 % of the noise peaks from a spectrum averaged for 30 min while maintaining the signal peaks, substantially helping the automatic assignment of unknown species. To illustrate the capabilities of Orbitool, we used the most challenging and complex dataset we have collected so far, which consists of ambient gas-phase measurements in urban Shanghai. These tests showed that Orbitool was able to automatically assign hundreds of molecular formulae as well as their isotopes with high accuracy.

Published
2021

5. Unbiased Detection of Cysteine Sulfenic Acid by 473 nm Photodissociation Mass Spectrometry: Toward Facile In Vivo Oxidative Status of Plasma Proteins

Author

Marion Girod, Jérôme Lemoine, Yann Bretonnière, Jean-Valery Guillaubez, Delphine Pitrat, ANABIO-MS - Analyse biomoléculaire par spectrométrie de masse - Biological Analysis by Mass Spectrometry, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), ANR-18-CE29-0002,HyLOxi,Approche couplée laser-MS pour la caractérisation du stress oxydant(2018), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon)-Institut de Chimie du CNRS (INC)

Subjects
laser induced dissociation, Chemistry, 010401 analytical chemistry, Chromophore, 010402 general chemistry, Mass spectrometry, Human serum albumin, 01 natural sciences, Blood proteins, 0104 chemical sciences, Analytical Chemistry, chemistry.chemical_compound, Fragmentation (mass spectrometry), Biochemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, chromophore derivatization, medicine, [CHIM]Chemical Sciences, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Sulfenic acid, cysteine oxidation, Derivatization, mass spectrometry, Cysteine, medicine.drug
Abstract

International audience; Cysteine (Cys) is prone to diverse post-translational modifications in proteins, including oxidation into sulfenic acid (Cys-SOH) by reactive oxygen species generated under oxidative stress. Detection of low concentrated and metastable Cys-SOH within complex biological matrices is challenging due to the dynamic concentration range of proteins in the samples. Herein, visible laser-induced dissociation (LID) implemented in a mass spectrometer was used for streamlining the detection of Cys oxidized proteins thanks to proper derivatization of Cys-SOH with a chromophore tag functionalized with a cyclohexanedione group. Once grafted, peptides undergo a high fragmentation yield under LID, leading concomitantly to informative backbone ions and to a chromophore reporter ion. 79 % of the Cys-containing tryptic peptides deriving from human serum albumin and serotransferrin tracked by Parallel Reaction Monitoring (PRM) were detected as targets subjected to oxidation. These candidates, as well as Cys-containing peptides predicted by in silico trypsin digestion of 5 other human plasma proteins, were then tracked in real plasma samples to pinpoint the endogenous Cys-SOH subpopulation. Most of the targeted peptides were detected in all plasma samples by LID-PRM, with significant differences in their relative amounts. By eliminating the signal of interfering co-eluted compounds, LID-PRM surpasses conventional HCD-PRM in detecting grafted Cys-SOH containing peptides and allows now to foresee clinical applications in large human cohorts.

Published
2021

6. Effect of Copper on the Oxidation Mechanisms of Tertiary and Secondary Amines of Methyl-naphthyl- cyclen-Modified Gold Electrodes

Author

Hafedh Ben Ouada, Nicole Jaffrezic-Renault, Hassen Touzi, Yves Chevalier, Ayoub Haj Said, Laboratoire des Interfaces et Matériaux Avancés [Monastir] (LIMA), Faculté des Sciences de Monastir (FSM), Université de Monastir - University of Monastir (UM)-Université de Monastir - University of Monastir (UM), Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
Aqueous solution, Polymers and Plastics, Inorganic chemistry, Ionic bonding, chemistry.chemical_element, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrochemistry, 01 natural sciences, Copper, Redox, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Metal, chemistry.chemical_compound, Cyclen, chemistry, visual_art, Electrode, Materials Chemistry, visual_art.visual_art_medium, 0210 nano-technology
Abstract

International audience; Tetraazamacrocycle such as 1,4,7,10-tetraazacyclododecane “cyclen” are known for efficient complexation of metallic ions and were used as an ionic recognition agents in chemical sensors in aqueous medium.The aim of this paper is to examine in more detail the oxidation mechanism of amines in cyclen before copper complexation and after copper complexation. Gold electrodes modified with mono-N-MNCyclen(mono methyl-naphtyl-cyclen) and tetra-N-MNCyclen thin films were obtained by deposition of mono-N-MNCyclen and the tetra-N-MNCyclensynthesized respectively by bisaminal route in three steps (protection, N-mono-alkylation and deprotection) and direct route. The comparative study of the electrochemical oxidation of amines in both cyclens allowed the identification of the tertiary and of the secondary amines. From the potential-pH relation and the variation of the intensities of the oxidation peaks, the redox mechanisms of both types of amines was proposed. The electrochemical redox behaviour of the amines in the copper-mono-N-MNCyclen complex was studied. From the potential-pH relation and the variation of the intensities of the oxidation peaks, the redox mechanisms of amines and the structure of the copper-mono-N-MNCyclen complex were proposed. The intensities of the oxidation peaks of the amines vary linearly with the copper concentration, in the range 10−12 M to 10–6 M, leading to a detection limit of of 1 pM of Cu2+.

Published
2021

7. A model of modified meta-iodobenzylguanidine conjugated gold nanoparticles for neuroblastoma treatment

Author

Abdelhamid Elaissari, Rujira Wanotayan, Eknarin Thanayupong, Kulachart Jangpatarapongsa, Narongpol Kaewchangwat, Duangporn Polpanich, Putthiporn Charoenphun, Khomson Suttisintong, Yodsathorn Wongngam, Suradej Hongeng, Kween Saimuang, Center for Research and Innovation, Mahidol University [Bangkok], National Nanotechnology Center (NANOTEC), Department of Diagnostic and Therapeutic Radiology, Department of Radiological Technology, Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Department of Pediatrics

Subjects
[SDV.NEU.NB]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC]/Neurobiology, General Chemical Engineering, medicine.medical_treatment, media_common.quotation_subject, Meta iodobenzylguanidine, [SDV.CAN]Life Sciences [q-bio]/Cancer, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, 02 engineering and technology, Conjugated system, 010402 general chemistry, 01 natural sciences, Neuroblastoma, medicine, Internalization, media_common, biology, Chemistry, General Chemistry, 021001 nanoscience & nanotechnology, medicine.disease, In vitro, 0104 chemical sciences, 3. Good health, Radiation therapy, Norepinephrine transporter, Colloidal gold, [SDV.SP.PHARMA]Life Sciences [q-bio]/Pharmaceutical sciences/Pharmacology, biology.protein, Cancer research, 0210 nano-technology
Abstract

International audience; Iodine-131 meta-iodobenzylguanidine (131I-mIBG) has been utilized as a standard treatment to minimize adverse side effects by targeting therapies to bind to the norepinephrine transporter (NET) expressed on 90% of neuroblastoma cells. However, only a minority of patients who receive 131I-mIBG radiotherapy have clinical responses, and these are usually not curative. In this study, novel ligand-conjugated gold nanoparticles (GNPs) based on mIBG were synthesized and evaluated biologically with neuroblastoma cells in vitro. To induce specific internalization to the tumor cells and utilize it as a model for radioenhancement, 127I-modified mIBG was successfully synthesized and grafted covalently to the surface of carboxylated PEG-GNPs. 49.28% of the novel mIBG derivative was grafted on carboxylated PEG-GNPs. The particles were stable and not toxic to the normal fibroblast cell line, L929, even at the highest concentration tested (1013 NPs per mL) at 24, 48, and 72 h. Moreover, the cellular uptake of the model was decreased significantly in the presence of a NET inhibitor, suggesting that there was specific internalization into neuroblastoma cells line (SH-SY5Y) via the NET. Therefore, this model provides useful guidance toward the design of gold nanomaterials to enhance the efficiency of 131I-mIBG treatment in neuroblastoma patients. However, the investigation of radio-therapeutic efficiency after radioisotope 131I substitution will be further conducted in a radiation safety laboratory using an animal model.

Published
2021

8. Exploring the antioxidant activity of thiaflavan compounds: a quantum chemical study

Author

Lynda Merzoud, Henry Chermette, Nour El Houda Amrane, Douniazed Hannachi, Laboratoire d’Electrochimie, d’Ingénierie Moléculaire et de Catalyse Redox (LEIMCR), Université Ferhat-Abbas Sétif 1 [Sétif] (UFAS1), Département de Chimie, Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
010405 organic chemistry, Chemistry, [SDV]Life Sciences [q-bio], Enthalpy, Aromaticity, General Chemistry, 010402 general chemistry, 01 natural sciences, Bond-dissociation energy, Catalysis, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Electron transfer, Computational chemistry, Materials Chemistry, Moiety, Proton affinity, Density functional theory, Reactivity (chemistry)
Abstract

Density functional theory calculations at the B3LYP level are performed to theoretically investigate the antioxidant properties of 30 thiaflavan compounds. The main theoretical parameters, such as the bond dissociation enthalpy, ionization potential, proton dissociation enthalpy, proton affinity, electron transfer enthalpy, aromaticity index and spin density of O-atoms in the gas, water and benzene phases, have been determined. On the basis of our calculations, the OH groups in the A-ring are the main contributors of the antioxidative activities of thiaflavan comparatively to the B-ring. The reactivity of the thiaflavan compounds with the DNA bases is determined and the thymine moiety in DNA is found to be the primary target for reduction. Among the 30 compounds theoretically studied, the ones containing a ferrocene moiety at ring C′ of thiaflavan are the most promising for future applications in the pharmacology field and the food industry.

Published
2021

9. Orthogonal Chemical Functionalization of Au/SiO2/TiW Patterned Substrates

Author

Christelle Yeromonahos, Stephane Monfray, Yann Chevolot, Jean-Pierre Cloarec, Jian Zhang, Thomas Gehin, Radoslaw Mazurczyk, Didier Léonard, Institut des Nanotechnologies de Lyon (INL), Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-École Centrale de Lyon (ECL), Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE), Surfaces, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and STMicroelectronics SA

Subjects
Materials science, Silicon dioxide, Nanowire, 02 engineering and technology, Surfaces and Interfaces, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Silane, 0104 chemical sciences, Contact angle, Secondary ion mass spectrometry, chemistry.chemical_compound, chemistry, Chemical engineering, X-ray photoelectron spectroscopy, Electrochemistry, [CHIM]Chemical Sciences, Surface modification, General Materials Science, Fourier transform infrared spectroscopy, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS, Spectroscopy
Abstract

Macropatterned and micropatterned gold/silicon dioxide/titanium tungsten (Au/SiO2/TiW) substrates were orthogonally functionalized: three different molecules (monovalent silane, thiol, and phosphonic acid) were used to specifically form organolayers on Au, SiO2, or TiW areas of patterned substrates. The orthogonality of the functionalization (i.e., selective grafting of thiol on Au, phosphonic acid on TiW, and silane on SiO2) was assessed by X-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (ToF-SIMS), Fourier transform infrared spectroscopy (FTIR), and contact angle measurements. These results are especially promising for the selective anchoring of targets (e.g., biomolecules, nanoparticles, nanowires, nanotubes, or other nano-objects) onto patterned zones of multimaterial substrates, such as nanosensors or other nanodevices.

Published
2020

10. Characterization of Nano-Gravimetric-Detector Response and Application to Petroleum Fluids up to C34

Author

Serge Junca, Laura Alonso Sobrado, Jérôme Randon, Pierre Puget, Eric Colinet, Matthieu Loriau, Christophe Tremaudant, APIX Analytics, Total S.A., Centre Scientifique et Technique Jean Féger (CSTJF), nCx Instrumentation, Separative Methods - Techniques séparatives, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
Response factor, Detection limit, Analyte, Temperature control, Chemistry, Detector, Analytical chemistry, Analytical Chemistry, law.invention, Linear range, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, law, [CHIM]Chemical Sciences, Flame ionization detector, Gas chromatography, ComputingMilieux_MISCELLANEOUS
Abstract

A nano-gravimetric detector (NGD) for gas chromatography is based on a nanoelectromechanical array of adsorbent-coated resonating double clamped beams. NGD is a concentration-sensitive detector and its sensitivity is analyte-dependent based on the affinity of the analyte with the porous layer coated on the NEMS surface. This affinity is also strongly related to the NGD temperature (NGD working temperature can be dynamically set up from 40 to 220 °C), so the sensitivity can be tuned through temperature detector control. An adsorption-desorption model was set up to characterize the NGD response on a large set of n-alkanes from C10 to C22 at different NGD temperatures. For fast identification of petroleum mixture based on chromatogram fingerprint, a general strategy for NGD temperature program design was developed leading to a constant relative response factor between 0.96 and 1.03 for all the alkanes, and then chromatograms are very similar to those obtained with a flame ionization detector (FID). The analysis of a real petroleum fluid was also performed and compared to FID results: quantitative results obtained for all the analytes were satisfactory according to precision (

Published
2020

11. Roles of N-methyl-d-aspartate receptors and d-amino acids in cancer cell viability

Author

Frederick M. MacDonnell, Yu-Sheng Sung, Nagham Alatrash, Michael Wey, Yadi Wang, Siqi Du, Alain Berthod, Daniel W. Armstrong, Department of Chemistry and Biochemistry, University of Texas at Arlington [Arlington], Chromatography & Hyphenated Techniques - Chromatographie et techniques couplées, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and This work was supported by the Robert A. Welch Foundation (Y0026) for DWA and (Y-1933–20170325) for FMM.

Subjects
0301 basic medicine, Skin Neoplasms, Cell Survival, Human skin, Receptors, N-Methyl-D-Aspartate, 03 medical and health sciences, 0302 clinical medicine, Memantine, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Cell Line, Tumor, Serine, Genetics, medicine, Humans, [CHIM]Chemical Sciences, Amino Acids, Receptor, Molecular Biology, Cell Proliferation, Alanine, Chemistry, General Medicine, Middle Aged, medicine.disease, 3. Good health, Neuroprotective Agents, 030104 developmental biology, Cell culture, 030220 oncology & carcinogenesis, Cancer cell, Cancer research, NMDA receptor, Female, Asparagine, Dizocilpine Maleate, Skin cancer, Excitatory Amino Acid Antagonists, Cancer Cell Growth Regulation, medicine.drug
Abstract

N-methyl-D-aspartate (NMDA) receptors, which are widely present in the central nervous system, have also been found to be up-regulated in a variety of cancer cells and tumors and they can play active roles in cancer cell growth regulation. NMDA receptor antagonists have been found to affect cancer cell viability and interfere with tumor growth. Moreover, cancer cells also have been shown to have elevated levels of some D-amino acids. Two human skin cell lines: Hs 895.T skin cancer and Hs 895.Sk skin normal cells were investigated. They were derived from the same patient to provide tumor and normal counterparts for comparative studies. The expression of specific NMDA receptors was confirmed for the first time in both skin cell lines. Dizocilpine (MK-801) and memantine, NMDA receptor channel blockers, were found to inhibit the growth of human skin cells by reducing or stopping NMDA receptor activity. Addition of D-Ser, D-Ala, or D-Asp, however, significantly reversed the antiproliferative effect on the human skin cells triggered by MK-801 or memantine. Even more interesting was the finding that the specific intracellular composition of a few relatively uncommon amino acids was selectively elevated in skin cancer cells when exposed to MK-801. It appears that a few specific and upregulated D-amino acids can reverse the drug-induced antiproliferative effect in skin cancer cells via the reactivation of NMDA receptors. This study provides a possible innovative anticancer therapy by acting on the D-amino acid pathway in cancer cells either blocking or activating their regulatory enzymes.

Published
2020

12. Surface enhanced Raman spectroscopy for bacteria analysis: a review

Author

François Bessueille, Elie Akanny, Anne Bonhomme, Claire Bordes, Sandrine Bourgeois, Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Surfaces, Institut des Sciences Pharmaceutiques et Biologiques (ISPB), and Université de Lyon-Université de Lyon

Subjects
Materials science, 010401 analytical chemistry, 02 engineering and technology, engineering.material, Surface-enhanced Raman spectroscopy, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, 0104 chemical sciences, symbols.namesake, Adsorption, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, engineering, symbols, [CHIM]Chemical Sciences, Molecule, Noble metal, 0210 nano-technology, Raman spectroscopy, Instrumentation, Spectroscopy, Raman scattering
Abstract

Surface Enhanced Raman spectroscopy (SERS) technique was developed to provide a high enhancement of Raman scattering from molecules adsorbed on nanostructured noble metal surfaces. This technique h...

Published
2020

13. Magnetic nanoparticles in microfluidic and sensing: From transport to detection

Author

Abdelhamid Errachid, Nadia Zine, Hamdi Ben Halima, Abdelhamid Elaissari, Sumera Khizar, Nasir M. Ahmad, National University of Sciences and Technology [Islamabad] (NUST), Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), Sumera Khizar acknowledges the financial support of Higher Education Commission, Pakistan for the scholarship and IRSIP program grant No. 9046 for visit to Univ Lyon, University Claude Bernard Lyon-1, CNRS, LAGEP-UMR, Lyon, France. Hamdi Ben Halima acknowledges the funding through the European Union's Horizon 2020 research and innovation program entitled (An integrated POC solution for non-invasive diagnosis and therapy monitoring of Heart Failure patients, KardiaTool) under grant agreement No 768686. Dr. Nasir M. Ahmad acknowledges the support of Higher Education Commission (HEC), NRPU Project No. 3526 and 6020 and TDF-02-164., European Project: 768686,KardiaTool, Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université de Lyon-Université de Lyon-École Supérieure de Chimie Physique Électronique de Lyon (CPE)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[SDV.BIO]Life Sciences [q-bio]/Biotechnology, Materials science, Point-of-Care Systems, Clinical Biochemistry, Microfluidics, Context (language use), Nanotechnology, Biosensing Techniques, 02 engineering and technology, 01 natural sciences, Biochemistry, Analytical Chemistry, law.invention, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, law, Lab-On-A-Chip Devices, Microsystem, Miniaturization, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Magnetite Nanoparticles, ComputingMilieux_MISCELLANEOUS, Microscale chemistry, 010401 analytical chemistry, Microfluidic Analytical Techniques, Lab-on-a-chip, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Magnetic nanoparticles, 0210 nano-technology, Biosensor
Abstract

Superparamagnetic nanoparticles are attracting significant attention. Therefore, being explored in microsystems for a wide range of applications. Typical examples include lab-on-a-chip and microfluidics for synthesis, detection, separation, and transportation of different bioanalytes, such as biomolecules, cells, and viruses to develop portable, sensitive, and cost-effective biosensing systems. Particularly, microfluidic systems incorporated with magnetic nanoparticles and, in combination with magnetoresistive sensors, shift diagnostic and analytical methods to a microscale level. In this context, nanotechnology enables the miniaturization and integration of a variety of analytical functions in a single chip for manipulation, detection, and recognition of bioanalytes reliably and flexibly. In consideration of the above, recent development and benefits are elaborated herein to discuss the role of magnetic nanoparticles inside the microchannels to design highly efficient disposable point-of-care applications from transportation to the detection of bioanalytes.

Published
2020

14. Detailed Investigation of Compatibility of Hydrothermal Liquefaction Derived Biocrude Oil with Fossil Fuel for Corefining to Drop-in Biofuels through Structural and Compositional Analysis

Author

Kamaldeep Sharma, Saqib Toor, Lasse Rosendahl, Thomas Helmer Pedersen, Yves Schuurman, Aalborg University [Denmark] (AAU), IRCELYON-Ingéniérie, du matériau au réacteur (ING), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
General Chemical Engineering, 02 engineering and technology, Compatibility, 010402 general chemistry, 01 natural sciences, 7. Clean energy, Commercialization, Drop-in biofuels, [CHIM.GENI]Chemical Sciences/Chemical engineering, Environmental Chemistry, Waste management, Renewable Energy, Sustainability and the Environment, business.industry, Drop (liquid), Fossil fuel, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Hydrothermal liquefaction, Biofuel, Compatibility (mechanics), Biocrude, Environmental science, Corefining, 0210 nano-technology, business
Abstract

SSCI-VIDE+ING+YSC; International audience; Large-scale commercialization of drop-in biofuel technologies requires a deeper understanding of the molecular structure of biocrude oils and their compatibility with fossil crudes in terms of molecular interactions that govern miscibility. For the first time, the compatibility of hydrothermal liquefaction (HTL) derived biocrude obtained from pinewood with straight-run gas oil (SRGO) was comprehensively investigated by theoretical prediction using Hansen double sphere plots and experimental confirmation from miscibility studies to achieve a biofeed compatible for coprocessing at refineries. The Hansen solubility parameters (HSPs) for biocrude, biocrude components (residue and light and heavy distillate fractions), and SRGO were determined by plotting a three-dimensional Hansen solubility sphere plot based on the experimental solubility data obtained on their solubility studies in 38 different solvents. The compatibility of HTL biocrude oil with SRGO was verified from the solubility distance (Ra) and relative energy difference (RED) values obtained from the center of their Hansen spheres and difference in HSPs, respectively, in a Hansen double sphere solubility plot. The experimental data obtained on miscibility studies confirmed that pyridine, cyclohexanone, and a pyridine–cyclohexanone solvent mixture (1:1) occupy a well-defined Hansen space and show fitting to HSPs of the biocrude–SRGO blend, improve the overall compatibility of the blending mixture, and display a maximum miscibility of 72%. To correlate the compatibility with the molecular structure, the compatibility of light, heavy, and residual fractions obtained by fractional distillation of HTL biocrude (pinewood) was also evaluated with SRGO using the Hansen double sphere plot, and a close agreement with differential scanning calorimetry (DSC) results as well as the experimental data on miscibility studies was verified. Furthermore, the comprehensive estimation of the detailed composition and chemical nature of biocrude and light, heavy, and residual fractions by the means of elemental (CHN/O), GC-MS, and GC × GC analysis was also presented. Additionally, the correlation between compatibility and interactions within chemical functionalities of blend components was established by analyzing the contribution of aromatic, aliphatic, and oxygen containing functional groups to the miscibility using quantitative 13C NMR spectroscopy. The present study reports a mixing strategy to assess the compatibility of biocrudes, heavy distillate fractions, asphaltenes, residues, and polymers with existing petroleum infrastructure for the cost-effective biorefinery process to balance economic and environmental considerations.

Published
2020

15. Affinity Chromatography: A Powerful Tool in Drug Discovery for Investigating Ligand/membrane Protein Interactions

Author

Claire Demesmay, Vincent Dugas, Lucile Lecas, Separative Methods - Techniques séparatives, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
0303 health sciences, Drug discovery, Chemistry, 010401 analytical chemistry, ligand-receptor binding, Membrane protein interactions, membrane proteins, Filtration and Separation, Affinity chromatography, Ligand (biochemistry), 01 natural sciences, 3. Good health, 0104 chemical sciences, Analytical Chemistry, 03 medical and health sciences, Membrane protein, Biochemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], Receptor, cell membrane affinity chromatography, ComputingMilieux_MISCELLANEOUS, 030304 developmental biology
Abstract

Affinity chromatography is an often overlooked chromatographic technique regarding receptor/ligand studies. Indeed, biologists have a tendency to focus on more recent biophysical techniques such as...

Published
2020

16. Highly Sensitive Voltammetric Catechol Biosensor Based on Electroaddressing of Laccase Encapsulated in Modified Chitosan

Author

Salma Besbes Hentati, Nicole Jaffrezic-Renault, François Bessueille, Hajer Chakroun Galai, Anne Bonhomme, Nihed Rahmouni, Philippe Namour, Laboratory of Materials Chemistry ( LR13ES08 ), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Surfaces, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Riverly (Riverly), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and Micro & Nanobiotechnologies

Subjects
0106 biological sciences, Laccase, voltammetry, Catechol, 010401 analytical chemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, laccase, 0104 chemical sciences, Highly sensitive, Chitosan, chemistry.chemical_compound, chemistry, 010608 biotechnology, modified chitosan, [SDE]Environmental Sciences, electrodeposition, phenolic content, [CHIM]Chemical Sciences, Electrical and Electronic Engineering, Biosensor, Nuclear chemistry
Abstract

In this work, a new voltammetric biosensor, based on the encapsulation of laccase from Trametes versicolor in an electrodeposited nanocomposite film, was developed for the detection of catechol. The nanocomposite was composed of chitosan (CS) modified with trymiristine (Tr), both of natural origin, to enhance its conductivity. FTIR and SEM studies were performed to characterize the modified chitosan film and the encapsulation of the enzyme. The analytical performance of the elaborated biosensor was determined through voltammetry detection of the produced quinone. Catechol was detected in a linear range between 10–20 and 10–15 M and a sensitivity of 0.4667 mA/p [catechol] was found. The repeatability of this biosensor is good as its RSD is equal to 1.35% and it shows stability for four weeks. To test the functionality of the developed biosensor, the total phenolic content of three samples of natural oils was determined and compared to a colorimetric test.

Published
2020

17. Copper-induced changes in growth, photosynthesis, antioxidative system activities and lipid metabolism of cilantro (Coriandrum sativum L.)

Author

Faiza Mejri, Wafa Zaouali, Zeineb Ouerghi, Imène Ben Salah, Hervé Casabianca, Hela Mahmoudi, Karim Hosni, Laboratoire Product Vegetale Contraintes Abiot, Université de Tunis - El Manar II, Université de Tunis El Manar (UTM)-Université de Tunis El Manar (UTM), Institut National de Recherche et d'Analyse Physico-Chimique (INRAP), PNBS - Produits naturels et biosourcés - Natural & Bio-based Products, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
0106 biological sciences, Stomatal conductance, Coriandrum, Plant Science, Photosynthesis, 01 natural sciences, Biochemistry, Lipid peroxidation, 03 medical and health sciences, chemistry.chemical_compound, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Genetics, Food science, Molecular Biology, Carotenoid, ComputingMilieux_MISCELLANEOUS, Ecology, Evolution, Behavior and Systematics, 030304 developmental biology, chemistry.chemical_classification, 0303 health sciences, biology, Fatty acid, Cell Biology, APX, biology.organism_classification, 6. Clean water, chemistry, Chlorophyll, Animal Science and Zoology, 010606 plant biology & botany
Abstract

The present study aims to investigate the effect of copper (as CuSO4, 5H2O) supply (0, 25 and 50 μM) on performance of cilantro (Coriandrum sativum L.) plants grown under hydroponic conditions. All applied Cu concentrations drastically reduced the biomass production, length of the shoots and the roots and disturbed the ions (Cu, Ca, Fe, Zn and Mg) homeostasis. Either Cu-starvation (0 μM) or Cu-toxicity (25 and 50 μM) significantly reduced the net photosynthetic rate, stomatal conductance and transpiration rate resulting in reduced water use efficiency. Under Cu-toxicity, the variations in gas exchange parameters were associated with a remarkable decline in the photosynthetic pigments including Chlorophyll a, Chlorophyllb, Chlorophyll (a + b) and carotenoids. Additionally, an enhanced lipid peroxidation (evaluated as Malondialdehyde (MDA) contents) with a concomitant increase in proline, total soluble sugars and melanoidins contents were observed under these conditions. The increased MDA levels resulted in decrease in total lipid content and alteration of the fatty acid profiles in both shoots and roots with a general tendency toward the accumulation of saturated fatty acids that mirrors a decline in the desaturases activity. Although the increased activity of enzymatic antioxidants including catalase (CAT), gaiacol peroxidase (GPX) and ascorbate peroxidase (APX), the oxidative-induced injuries caused by 25 and 50 μM Cu were found to be irreversible and the optimal growth parameters were not achieved.

Published
2020

18. Surface‐enhanced Raman spectroscopy using uncoated gold nanoparticles for bacteria discrimination

Author

Carine Commun, Claire Bordes, Sandrine Bourgeois, François Bessueille, Carole Farre, Elie Akanny, Anne Bonhomme, Anne Doléans-Jordheim, Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), Surfaces, Laboratoire d'Ecologie Microbienne - UMR 5557 (LEM), Université de Lyon-Université de Lyon-Ecole Nationale Vétérinaire de Lyon (ENVL)-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire de Bactériologie de l'Hôpital de la Croix-Rousse, Hospices Civils de Lyon (HCL), Interfaces & biosensors - Interfaces & biocapteurs, Institut des Sciences Pharmaceutiques et Biologiques (ISPB), and Université de Lyon-Université de Lyon

Subjects
02 engineering and technology, medicine.disease_cause, 01 natural sciences, Silver nanoparticle, symbols.namesake, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, medicine, Molecule, General Materials Science, Escherichia coli, Spectroscopy, biology, Chemistry, 010401 analytical chemistry, Substrate (chemistry), Surface-enhanced Raman spectroscopy, 021001 nanoscience & nanotechnology, biology.organism_classification, [SDV.MP.BAC]Life Sciences [q-bio]/Microbiology and Parasitology/Bacteriology, 0104 chemical sciences, Colloidal gold, symbols, 0210 nano-technology, Raman spectroscopy, [CHIM.CHEM]Chemical Sciences/Cheminformatics, Bacteria, Nuclear chemistry
Abstract

International audience; In this work, surface-enhanced Raman spectroscopy (SERS) method based on uncoated spherical gold nanoparticles as SERS substrate was applied for the detection and discrimination of three different bacterial strains: Gram-positive Bacillus subtilis and Lactobacillus rhamnosus GG and Gram-negative Escherichia coli. The exploitation of bacteria SERS spectra by multivariate data analysis (principal component analysis and partial least squares-discriminant analysis) proved the robustness of the developed method and its suitability to discriminate between the three different strains despite their relatively similar Raman signals. The SERS performance of the developed method was compared with that of the classical silver nanoparticles indicating a better bacteria signal enhancement, up to 15 times higher in case of E. coli, likely due to stronger interactions of gold nanoparticles with components such as purine molecules that show dominant bands in the bacterial SERS spectra. K E Y W O R D S bacteria detection, bacteria discrimination, gold nanoparticles, SERS

Published
2020

19. Simultaneous CO2 capture and metal purification from waste streams using triple-level dynamic combinatorial chemistry

Author

Roberto Gobetto, Patrick Jame, Clara Tosi, Jean Septavaux, Carlo Nervi, Julien Leclaire, Institut de Chimie et Biochimie Moléculaires et Supramoléculaires (ICBMS), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut de Chimie du CNRS (INC)-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), Isotopique & Organique - Isotopic & Organic, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Dipartimento di Chimica I.F.M. and Molecular Imaging Centre, Università degli studi di Torino (UNITO), Financial support from Pulsalys to J.S. is gratefully acknowledged. This work was supported by the LABEX iMUST (ANR-10-LABX-0064) of Université de Lyon, within the programme ‘Investissements d’Avenir’ (ANR-11-IDEX-0007) operated by the French National Research Agency (ANR)., and ANR-11-IDEX-0007,Avenir L.S.E.,PROJET AVENIR LYON SAINT-ETIENNE(2011)

Subjects
010405 organic chemistry, Precipitation (chemistry), business.industry, General Chemical Engineering, chemistry.chemical_element, Exhaust gas, General Chemistry, 010402 general chemistry, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, Metal, Reduction (complexity), Nickel, chemistry, Internal combustion engine, 13. Climate action, visual_art, [SDE]Environmental Sciences, Dynamic combinatorial chemistry, visual_art.visual_art_medium, [CHIM]Chemical Sciences, Process engineering, business, ComputingMilieux_MISCELLANEOUS
Abstract

A reduction in CO2 emissions is required to mitigate global warming. Post-combustion carbon capture is one of the most developed technologies that has the potential to meet this goal, but its cost prevents its widespread use. A different approach would be to use CO2 directly as it is captured, before it is stored. Here we explore spontaneous CO2 fixation by industrial polyamines as a strategy to generate dynamic libraries of ligands for metal separation and recovery. We identify the CO2 loadings and solvents promoting the optimal precipitation of each metal from the dynamic libraries of complexes. We demonstrate the separation of lanthanum and nickel using the exhaust gas of an internal combustion engine vehicle, and show that the three metal constituents of the La2Ni9Co alloys used to manufacture the batteries of electric vehicles can be separated and recovered by successive CO2-induced selective precipitations. Beyond the concept of CO2-sourced multi-level dynamic coordination chemistry, this study provides a potential framework for integrated CO2 capture and use through sustainable processes.

Published
2020

20. A statistical thermodynamics view of electron density polarisation: application to chemical selectivity

Author

Alejandro Toro-Labbé, Lynda Merzoud, Jorge Ignacio Martínez-Araya, Frédéric Guégan, Henry Chermette, Vincent Tognetti, Christophe Morell, Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers-Institut de Chimie du CNRS (INC), Chimie Organique et Bioorganique : Réactivité et Analyse (COBRA), Institut Normand de Chimie Moléculaire Médicinale et Macromoléculaire (INC3M), Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Université Le Havre Normandie (ULH), Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Organique Fine (IRCOF), Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello (UNAB), Av. República 498, Santiago, Chile, Universidad Andrés Bello [Santiago] (UNAB), Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratorio de Química Teórica Computacional (QTC), Pontificia Universidad Católica de Chile (UC), The authors gratefully acknowledge the GENCI/CINES (Project cpt2130) for HPC resources/computer time and the LABEX SynOrg (ANR-11-2ABX-0029) for funding., ANR-10-LABX-0029,IAST,Institut for Advanced Study in Toulouse(2010), Université de Poitiers-Institut national des sciences de l'Univers (INSU - CNRS)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
Physics, Electron density, 010304 chemical physics, Intermolecular force, General Physics and Astronomy, Thermodynamics, 010402 general chemistry, Electrostatics, 01 natural sciences, 0104 chemical sciences, Rule of thumb, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Entropy (classical thermodynamics), Excited state, 0103 physical sciences, Heat exchanger, [CHIM]Chemical Sciences, Density functional theory, Physical and Theoretical Chemistry, Computer Science::Databases
Abstract

This article is part of the themed collection: 2020 PCCP HOT Articles; International audience; A fundamental link between conceptual density functional theory and statistical thermodynamics is herein drawn, showing that intermolecular electrostatic interactions can be understood in terms of effective work and heat exchange. From a more detailed analysis of the heat exchange in a perturbation theory framework, an associated entropy can be subsequently derived, which appears to be a suitable descriptor for the local polarisability of the electron density. A general rule of thumb is evidenced: the more the perturbation can be spread, both through space and among the excited states, the larger the heat exchange and entropy.

Published
2020

21. On-line 2D-RPLC x RPLC – HRMS to assess wastewater treatment in a pharmaceutical plant

Author

Jean-Michel Lerestif, Karine Faure, Fleur Marie Saint Germain, Estelle Saunier, Sabine Heinisch, Oril Industrie, Chromatography & Hyphenated Techniques - Chromatographie et techniques couplées, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and This work was financially supported by ORIL Industrie, affiliated to Les Laboratoires Servier, the University of Lyon and the Centre National de la Recherche Scientifique (CNRS).

Subjects
Clinical Biochemistry, Relative standard deviation, Pharmaceutical Science, 010501 environmental sciences, 01 natural sciences, Mass Spectrometry, Water Purification, Analytical Chemistry, Industrial wastewater treatment, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Drug Discovery, Neutral ph, Effluent, Spectroscopy, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Active ingredient, Chromatography, Reverse-Phase, Plants, Medicinal, Chromatography, Chemistry, 010401 analytical chemistry, Water, Reversed-phase chromatography, 6. Clean water, 0104 chemical sciences, Pharmaceutical Preparations, Sewage treatment, Quantitative analysis (chemistry)
Abstract

Pharmaceutical effluents are complex media containing hundreds of compounds including active ingredients, intermediate products and unknown impurities. Bringing an industrial wastewater treatment plant (WWTP) into compliance with European directives requires a thorough analysis of the effluent. In this study, we demonstrate how online comprehensive two-dimensional liquid chromatography (on-line LC × LC) hyphenated to high resolution mass spectrometry (HRMS) can be a powerful analytical methodology to monitoring the outlet water, by analysing the content of known molecules while characterising unknown compounds. Reversed phase liquid chromatography (RPLC) was used in both dimensions, with a penta-fluoro-phenyl silica-based column at neutral pH in the first dimension (1D) and a C18 column at acidic pH in the second one (2D). The conditions were optimized for a total analysis time of 60 min. The variability of both retention times and peak areas was evaluated. The average standard deviation on retention times was found to be less than 0.1 s in 2D. The relative standard deviation on peak area was about 7% for run-to-run analysis. This analytical approach, applied to the pharmaceutical effluents before (inlet) and after (outlet) wastewater treatment permitted to detect 240 compounds. These included 27 priority pharmaceutical products, 8 of which were of very high priority and their concentrations could be compared to target values. The comparison of 2D-LC and 1D-LC approaches clearly highlights the power of on-line RPLC x RPLC technique, which allows both targeted quantitative analysis and non-targeted qualitative analysis of pharmaceutical effluents.

Published
2022

22. Understanding the role of electronic effects in CO on the Pt−Sn alloy surface via band structure measurements

Author

Jongkeun Jung, Sungwoo Kang, Laurent Nicolaï, Jisook Hong, Ján Minár, Inkyung Song, Wonshik Kyung, Soohyun Cho, Beomseo Kim, Jonathan D. Denlinger, Francisco José Cadete Santos Aires, Eric Ehret, Philip Ross, Jihoon Shim, Slavomir Nemšák, Doyoung Noh, Seungwu Han, Changyoung Kim, Bongjin Simon Mun, IRCELYON-Méthodologies En Microscopie Environnementale (MEME), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
orbital character, angle-resolved photoelectron spectroscopy, зонная структура, 02 engineering and technology, General Chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, 021001 nanoscience & nanotechnology, 01 natural sciences, [SDE.ES]Environmental Sciences/Environmental and Society, Catalysis, 0103 physical sciences, pi back-donation, CO adsorption, фотоэлектронная спектроскопия с угловым разрешением, 010306 general physics, 0210 nano-technology, электронные эффекты, Pt alloy
Abstract

Using angle-resolved photoemission spectroscopy, we show direct evidence for charge transfer between adsorbed molecules and metal substrates, i.e., chemisorption of CO on Pt(111) and Pt-Sn/Pt(111) 2 x 2 surfaces. The observed band structures show a unique signature of charge transfer as CO atoms are adsorbed, revealing the roles of specific orbital characters participating in the chemisorption process. As the coverage of CO increases, the degree of charge transfer between CO and Pt shows a clear difference to that of Pt-Sn. With comparison to density functional theory calculation results, the observed distinct features in the band structure are interpreted as back-donation bonding states formed between the Pt molecular orbital and the 2 pi orbital of CO. Furthermore, the change in the surface charge concentration, measured from the Fermi surface area, shows that the Pt surface has a larger charge concentration change than the Pt-Sn surface upon CO adsorption. The differences between Pt and Pt-Sn surfaces are due to the effect of Pt-Sn intermetallic bonding on the interaction of CO with the surface.

Published
2022

23. Dimethyl Carbonate Synthesis from CO2 and Dimethoxytin(IV) Complexes: The Anatomy of the Alkylation Step Viewed from DFT Modeling

Author

Danielle Ballivet-Tkatchenko, Mahboubeh Poor Kalhor, Henry Chermette, Department of Chemistry - Farhangian University, Farhangian University, Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), and Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)

Subjects
Chemical process, Chemistry, General Chemical Engineering, 02 engineering and technology, General Chemistry, Alkylation, 021001 nanoscience & nanotechnology, Combinatorial chemistry, Industrial and Manufacturing Engineering, Catalysis, chemistry.chemical_compound, 020401 chemical engineering, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Methanol, 0204 chemical engineering, Current (fluid), Dimethyl carbonate, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract

In line with promoting environmentally acceptable chemical processes, the direct catalytic conversion of CO2 and methanol into dimethyl carbonate (DMC) is a target of current industrial interest. D...

Published
2019

24. GC-MS, GC-QTOF and NMR analyses to elucidate composition of 41 powders from an NPS collector

Author

Yvan Gaillard, Fabien Bévalot, Charline Bottinelli, Maggy Hologne, Kevin Revelut, Laboratoire Lat Lumtox, Biophysics of complex systems, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Laboratoire LAT LUMTOX

Subjects
Chromatography, Chemistry, Health, Toxicology and Mutagenesis, Alkaloid, 010401 analytical chemistry, Toxicology, Mass spectrometry, 01 natural sciences, 3. Good health, 0104 chemical sciences, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Composition (visual arts), 030216 legal & forensic medicine, Gas chromatography, Gas chromatography–mass spectrometry, ComputingMilieux_MISCELLANEOUS, Mesembrine
Abstract

Summary Twenty years ago, new psychoactive substances (NPS) emerged in France and their number has substantially increased during the 2010s. Identification of these compounds and their isomers, however, is complex. We report a case of seizure of 41 powders at the home of a man who consumed various drugs for recreational purposes and to regulate his sleep cycle. Thirty-three different compounds were identified using nuclear magnetic resonance (NMR) spectroscopy and gas chromatography coupled to a quadruple mass spectrometer or a time-of-flight mass spectrometer. Two of these were classic drugs (cocaine and MDMA), 1 was an alkaloid present in plants (mesembrine), 1 was a diverted drug (methylphenidate) and 29 were NPSs. Two NPS were reported for the first time in France: 3C-P and dichloropane. The dichloropane was identified by analyzing its structure using Molecular Structure Correlator software, confirmed by NMR analysis.

Published
2019

25. NLRP3 phosphorylation in its LRR domain critically regulates inflammasome assembly

Author

Niu, Tingting, De Rosny, Charlotte, Chautard, Séverine, Rey, Amaury, Patoli, Danish, Groslambert, Marine, Cosson, Camille, Lagrange, Brice, Zhang, Zhirong, Visvikis, Orane, Hacot, Sabine, Hologne, Maggy, Walker, Olivier, Wong, Jeimin, Wang, Ping, Ricci, Roméo, Henry, Thomas, Boyer, Laurent, Petrilli, Virginie, Py, Bénédicte F., Centre International de Recherche en Infectiologie - UMR (CIRI), École normale supérieure - Lyon (ENS Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Shanghai Key Laboratory of Regulatory Biology (Institute of Biomedical Sciences and School of Life Sciences, Shanghai), East China Normal University [Shangaï] (ECNU), Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Université de Strasbourg (UNISTRA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Centre méditerranéen de médecine moléculaire (C3M), Université Nice Sophia Antipolis (1965 - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Côte d'Azur (UCA), Centre de Recherche en Cancérologie de Lyon (UNICANCER/CRCL), Centre Léon Bérard [Lyon]-Université Claude Bernard Lyon 1 (UCBL), Biophysics of complex systems, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Shanghai Tenth People's Hospital of Tongji University - Tongji Cancer Center, Bussy, Agnès, Centre International de Recherche en Infectiologie (CIRI), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Université Jean Monnet - Saint-Étienne (UJM)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), ANR-13-JSV3-0002,UbInfla,Régulation de l'activité de l'inflammasome par l'ubiquitination de NLRP3(2013), ANR-16-IDEX-0005,IDEXLYON,IDEXLYON(2016), ANR-10-LABX-0030,INRT,Integrative Biology : Nuclear dynamics- Regenerative medicine - Translational medicine(2010), ANR-10-IDEX-0002,UNISTRA,Par-delà les frontières, l'Université de Strasbourg(2010), European Project: 616986,EC:FP7:ERC,ERC-2013-CoG,UBINFLAM(2015), Université Nice Sophia Antipolis (... - 2019) (UNS), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Institut National de la Santé et de la Recherche Médicale (INSERM)-École normale supérieure - Lyon (ENS Lyon)-Université Claude Bernard Lyon 1 (UCBL)

Subjects
Inflammasomes, Science, [SDV]Life Sciences [q-bio], Signal transduction, Article, Inflammasome, Mice, NOD-like receptors, NLR Family, Pyrin Domain-Containing 3 Protein, [CHIM] Chemical Sciences, Pyroptosis, Animals, Humans, NIMA-Related Kinases, [CHIM]Chemical Sciences, Phosphorylation, Casein Kinase II, Mice, Knockout, Deubiquitinating Enzymes, integumentary system, Macrophages, Caspase 1, Ubiquitination, Casein Kinase Ialpha, Antimicrobial responses, [SDV] Life Sciences [q-bio], HEK293 Cells, Cytokines
Abstract

NLRP3 controls the secretion of inflammatory cytokines IL-1β/18 and pyroptosis by assembling the inflammasome. Upon coordinated priming and activation stimuli, NLRP3 recruits NEK7 within hetero-oligomers that nucleate ASC and caspase-1 filaments, but the apical molecular mechanisms underlying inflammasome assembly remain elusive. Here we show that NEK7 recruitment to NLRP3 is controlled by the phosphorylation status of NLRP3 S803 located within the interaction surface, in which NLRP3 S803 is phosphorylated upon priming and later dephosphorylated upon activation. Phosphomimetic substitutions of S803 abolish NEK7 recruitment and inflammasome activity in macrophages in vitro and in vivo. In addition, NLRP3-NEK7 binding is also essential for NLRP3 deubiquitination by BRCC3 and subsequently inflammasome assembly, with NLRP3 phosphomimetic mutants showing enhanced ubiquitination and degradation than wildtype NLRP3. Finally, we identify CSNK1A1 as the kinase targeting NLRP3 S803. Our findings thus reveal NLRP3 S803 phosphorylation status as a druggable apical molecular mechanism controlling inflammasome assembly., Nlrp3 inflammasome activation requires Nek7 recruitment to drive ASC speck formation. Here the authors show how Nlrp3 phosphorylation events control this Nek7 recruitment.

Published
2021

26. Potential of high-resolution MS as an efficient tool in clinical research laboratories. Application to bacterial infections and antibiotic susceptibility testing

Author

Deforet, Francis, Lemoine, Jérôme, ANABIO-MS - Analyse biomoléculaire par spectrométrie de masse - Biological Analysis by Mass Spectrometry, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Human Proteome Organization (HUPO), ANR-19-CE19-0016,IDAREV,Identification, charactérisation de la résistance aux antibiotiques et évaluation de la virulence de bactéries de manière concomitante par spectrométrie de masse ciblée adaptative(2019), Bussy, Agnès, and Identification, charactérisation de la résistance aux antibiotiques et évaluation de la virulence de bactéries de manière concomitante par spectrométrie de masse ciblée adaptative - - IDAREV2019 - ANR-19-CE19-0016 - AAPG2019 - VALID

Subjects
antibiotic susceptibility testing, laboratories, [CHIM.ANAL] Chemical Sciences/Analytical chemistry, clinical research, bacterial infections, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, [CHIM] Chemical Sciences, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, HRMS, high-resolution MS, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021

27. Composition isotopique de l’H et de l’O de l’eau des inclusions fluides de quartz: Nouvelle méthode pour la paléoaltimétrie

Author

Melis, Raphaël, Gardien, Véronique, Mahéo, Gweltaz, Lécuyer, Christophe, Leloup, Philippe Hervé, Jame, Patrick, Bonjour, Erik, Laboratoire de Géologie de Lyon - Terre, Planètes, Environnement (LGL-TPE), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut national des sciences de l'Univers (INSU - CNRS)-Université Jean Monnet - Saint-Étienne (UJM)-Centre National de la Recherche Scientifique (CNRS), Isotopique & Organique - Isotopic & Organic, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), SGF, CNRS, Laboratoire de Géologie de Lyon ou l’étude de la Terre, des planètes et de l’environnement, Laboratoire de Géologie de Lyon - Terre, Planètes, Environnement [Lyon] (LGL-TPE), Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Bussy, Agnès

Subjects
Paléoaltimétrie, isotopes stables, [CHIM] Chemical Sciences, [SDU.STU] Sciences of the Universe [physics]/Earth Sciences, [CHIM]Chemical Sciences, [SDU.STU]Sciences of the Universe [physics]/Earth Sciences, inclusions fluides, quartz
Abstract

National audience; La paléoaltimétrie est un outil puissant utilisé dans le domaine des sciences de la Terre permettant d’étudier les interactions entre l’évolution de la topographie, les phénomènes tectoniques et climatiques. Cette approche consiste à estimer la paléoaltitude ou les paléoreliefs d’une chaîne de montagne ou d’un plateau orogénique à une période donnée. Plusieurs méthodes sont utilisées pour y parvenir, parmis celles-ci, la paléoaltimétrie basée sur les isotopes stables consiste à utiliser la composition des paléo-précipitations qui se déversaient à haute et à basse altitude à une certaine période et au niveau de la zone étudiée. En effet il a été démontré que les rapports isotopiques de l’oxygène (δ18O) et de l’hydrogène (δD) des précipitations orographiques diminuent au fur et à mesure que l’altitude des reliefs augmente suivant un gradient isotopique variable (Poage et al.,2001). L’analyse du δ18O(mineral) ou du δD(mineral) de minéraux comme certains carbonates et les phylosilicates formés à partir d’eaumétéorique permet de calculer le δ18O(water) et le δD(water) des paléo-précipitations en estimant la température à laquelle le fractionnement isotopique entre l’eau et le minéral a eu lieu. Cependant, l’estimation imprécise de cette température génèrent d’importantes marges d’erreur pouvant dépasser les +/- 1000m.Nous avons développé une méthode permettant de mesurer directement et conjointement le δ18O(water) et le δD(water) de l’eau des paléo-précipitation avec une grande précision (+/- 0,39 ‰ et 1,53 ‰) pour le δ18O(water) et le δD(water) respectivement et permet notamment de réduire les marges d’erreur de l’estimation paléoaltimétrique à moins de +/- 150m. Cette méthode consiste à extraire et analyser de petites quantitésde fluides (~10L) piégées dans les minéraux de quartz au moment de leur croissance.L’extraction des inclusions fluides est réalisée à l’aide d’une ligne sous vide et l’analyse isotopique est réalisée dans un second temps avec un spectroscope (OA-ICOS) situé à l’Institut des Sciences Analytiques de Lyon (ISA). Nous avons testé ce protocole sur des veines de quartz alpines provenant des massifs du Mont Blanc et du Chenaillet. Les résultats obtenus montrent que l’eau extraite correspond à de l’eau météorique et quesa signature isotopique a été conservée au cours des temps géologiques. Ces données montrent que le massif du Mont-Blanc était à basse élévation (moins de 1000m a.s.l) au Miocène moyen. En revanche, les données provenant du massif du Chenaillet indiquent qu’il avait déjà atteint son altitude moyenne actuelle (~ 2500m a.s.l) à la même période.

Published
2021

28. Encapsulation of α-Pinene in Delivery Systems Based on Liposomes and Cyclodextrins

Author

Abdelhamid Elaissari, Zahraa Hammoud, Maya Kayouka, Adriana Trifan, Hélène Greige-Gerges, Jouda Mediouni Ben Jemâa, Elwira Sieniawska, Bioactive Molecules Research Laboratory, Lebanese University, Jdeidet El-Metn 90656, Lebanon, Department of Pharmacognosy, University of Medicine and Pharmacy 'Grigore T.Popa' Iasi (UMF lasi), Department of Natural Products Chemistry, Medical University of Lublin, Laboratory of Biotechnology Applied to Agriculture, National Institute of Agricultural Research of Tunisia (INRAT), Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
DPPH, Pharmaceutical Science, 02 engineering and technology, 01 natural sciences, Analytical Chemistry, law.invention, M, chemistry.chemical_compound, QD241-441, A, law, Drug Discovery, Trifan, E, Z, Phospholipids, Bicyclic Monoterpenes, Drug Carriers, Pinene, Liposome, Aqueous solution, Chemistry, 021001 nanoscience & nanotechnology, Sieniawska, 2-Hydroxypropyl-beta-cyclodextrin, Cholesterol, Chemistry (miscellaneous), α-pinene, Molecular Medicine, 0210 nano-technology, Kayouka, liposomes, Drug Compounding, hydroxypropyl-β-cyclodextrin, Phospholipid, Article, drug-in-cyclodextrin-in-liposomes, J.M.B, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Oils, Volatile, Elaissari, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, Essential oil, H α-pinene, Cyclodextrins, Chromatography, 010405 organic chemistry, Organic Chemistry, 0104 chemical sciences, Hammoud, Solubility, Solubilization, Greige-Gerges, Jemâa, encapsulation
Abstract

International audience; The essential oil component α-pinene has multiple biological activities. However, its application is limited owing to its volatility, low aqueous solubility, and chemical instability. For the aim of improving its physicochemical properties, α-pinene was encapsulated in conventional liposomes (CLs) and drug-in-cyclodextrin-in-liposomes (DCLs). Hydroxypropyl-β-cyclodextrin/α-pinene (HP-β-CD/α-pinene) inclusion complexes were prepared in aqueous solution, and the optimal solubilization of α-pinene occurred at HP-β-CD:α-pinene molar ratio of 7.5:1. The ethanol-injection method was applied to produce different formulations using saturated (Phospholipon 90H) or unsaturated (Lipoid S100) phospholipids in combination with cholesterol. The size, the phospholipid and cholesterol incorporation rates, the encapsulation efficiency (EE), and the loading rate (LR) of α-pinene were determined, and the storage stability of liposomes was assessed. The results showed that α-pinene was efficiently entrapped in CLs and DCLs with high EE values. Moreover, Lipoid S100 CLs displayed the highest LR (22.9 ± 2.2%) of α-pinene compared to the other formulations. Both carrier systems HP-β-CD/α-pinene inclusion complex and Lipoid S100 CLs presented a gradual release of α-pinene. Furthermore, the DPPH radical scavenging activity of α-pinene was maintained upon encapsulation in Lipoid S100 CLs. Finally, it was found that all formulations were stable after three months of storage at 4 °C.

Published
2021

29. Multi-functionalized silica nanoparticles to improve the sensitivity of diagnostic assays

Author

Chaix, Carole, Farre, Carole, Manzano, Marisa, Vidic, Jasmina, Interfaces & biosensors - Interfaces & biocapteurs, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Université d'Udine, MICrobiologie de l'ALImentation au Service de la Santé (MICALIS), AgroParisTech-Université Paris-Saclay-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and Bussy, Agnès

Subjects
[SDV] Life Sciences [q-bio], InformationSystems_GENERAL, GeneralLiterature_INTRODUCTORYANDSURVEY, ComputerApplications_MISCELLANEOUS, [SDV]Life Sciences [q-bio], [CHIM] Chemical Sciences, diagnostic assays, [CHIM]Chemical Sciences, nanoparticles, ComputingMilieux_MISCELLANEOUS, GeneralLiterature_MISCELLANEOUS
Abstract

Keynote invitée; International audience

Published
2021

30. Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon–Halogen Bonds

Author

Christophe Morell, Frédéric Guégan, Laurent Joubert, Sébastien Menant, Vincent Tognetti, Henry Chermette, Lynda Merzoud, Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Université de Poitiers-Institut national des sciences de l'Univers (INSU - CNRS)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Chimie Organique et Bioorganique : Réactivité et Analyse (COBRA), Institut Normand de Chimie Moléculaire Médicinale et Macromoléculaire (INC3M), Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Université Le Havre Normandie (ULH), Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Organique Fine (IRCOF), Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Electron density, Materials science, Pharmaceutical Science, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Article, Analytical Chemistry, QD241-441, electron polarisation, conceptual DFT, 0103 physical sciences, Drug Discovery, Electronic effect, Molecule, Reactivity (chemistry), Physical and Theoretical Chemistry, 010304 chemical physics, [CHIM.ORGA]Chemical Sciences/Organic chemistry, reactivity/selectivity descriptors, Organic Chemistry, chemical bonding, 3. Good health, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Chemical bond, chemistry, Chemistry (miscellaneous), Chemical physics, Halogen, Molecular Medicine, Selectivity, Carbon
Abstract

International audience; Electronic effects (inductive and mesomeric) are of fundamental importance to understand the reactivity and selectivity of a molecule. In this article, polarisation temperature is used as a principal index to describe how electronic effects propagate in halogeno-alkanes and halogeno-alkenes. It is found that as chain length increases, polarisation temperature decreases. As expected, polarisation is much larger for alkenes than for alkanes. Finally, the polarisation mode of the carbon–fluorine bond is found to be quite different and might explain the unusual reactivity of fluoride compounds.

Published
2021
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31. Caractérisation après traitement d’un effluent pharmaceutique par RPLC x RPLC - qTOF

Author

Marie-Saint-Germain, Fleur, Djeffal, Lélia, Le Nue, Juliette, Saunier, Estelle, Heinisch, Sabine, Chromatography & Hyphenated Techniques - Chromatographie et techniques couplées, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Oril Industrie, AFSEP, and Bussy, Agnès

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, RPLC x RPLC - qTOF, effluent pharmaceutique, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021

32. Approches multidimensionnelles LC x SFC: opportunités et challenges

Author

Karine Faure, Chromatography & Hyphenated Techniques - Chromatographie et techniques couplées, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), AFSEP, and Bussy, Agnès

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021

33. CE-ICP-MS : un couplage de choix pour étudier l’implication du cuivre dans la maladie d’Alzheimer

Author

Duroux, Coraline, Hagège, Agnès, Separative Methods - Techniques séparatives, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), AFSEP, and Bussy, Agnès

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021

34. Etude du devenir de nanoparticules en milieu biologique par TDA-ICP-MS

Author

Lucie, Labied, Hagège, Agnès, Separative Methods - Techniques séparatives, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), AFSEP, and Bussy, Agnès

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021

35. Interlaboratory study of a supercritical fluid chromatography method for the determination of pharmaceutical impurities: Evaluation of multi-systems reproducibility

Author

Jimmy Oliveira Da Silva, Mariana Kamenova-Nacheva, Jean-Luc Veuthey, Erik L. Regalado, Jérémy Molineau, Luigi Mondello, Lee Ingvaldson, Angéline Noireau, Kevin A. Schug, Mariosimone Zoccali, Jan Felix Joseph, David Touboul, Adrian Clarke, Quentin Gros, Thi Phuong Thuy Hoang, Davy Guillarme, Fabio Salafia, Maria Kristina Parr, Solène Kerviel-Guillon, Kosuke Nakajima, Florent Rouvière, Antoni Severino, Fabien Mauge, Shinnosuke Horie, Rick Wikfors, Takeshi Bamba, Gesa Schad, Vladimir Dimitrov, Regina Black, Caroline West, Luca Gioacchino Losacco, Sonja Schneider, Philipp Jochems, Daniel Kutscher, Edgar Naegele, Yana Nikolova, Amandine Dispas, Philippe Hubert, Yoshihiro Izumi, Masatomo Takahashi, Alexandre Grand-Guillaume Perrenoud, Sabine Heinisch, Raffeal Bennett, Pierre Billemont, Blair K. Berger, Kelly Zhang, Jenny Wang, Amber Guillen, Institut de Chimie des Substances Naturelles (ICSN), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Chromatography & Hyphenated Techniques - Chromatographie et techniques couplées, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Quality Control, Salbutamol sulfate, Instrumentation, Clinical Biochemistry, Transferability, Pharmaceutical Science, 01 natural sciences, Analytical Chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Drug Discovery, Multi-instruments collaborative study, Pharmaceutical impurities, Process engineering, Spectroscopy, ComputingMilieux_MISCELLANEOUS, Protocol (science), ddc:615, Reproducibility, 010405 organic chemistry, business.industry, Chemistry, 010401 analytical chemistry, Single type, Reproducibility of Results, Chromatography, Supercritical Fluid, Repeatability, Variance (accounting), Supercritical fluid chromatography(SFC, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Inter-laboratory study, Supercritical fluid chromatography (SFC), Pharmaceutical Preparations, Supercritical fluid chromatography, [SDV.TOX.ECO]Life Sciences [q-bio]/Toxicology/Ecotoxicology, [SDE.BE]Environmental Sciences/Biodiversity and Ecology, business, [CHIM.OTHE]Chemical Sciences/Other, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract

Modern supercritical fluid chromatography (SFC) is now a well-established technique, especially in the field of pharmaceutical analysis. We recently demonstrated the transferability and the reproducibility of a SFC-UV method for pharmaceutical impurities by means of an inter-laboratory study. However, as this study involved only one brand of SFC instrumentation (Waters®), the present study extends the purpose to multi-instrumentation evaluation. Specifically, three instrument types, namely Agilent®, Shimadzu®, and Waters®, were included through 21 laboratories (n = 7 for each instrument). First, method transfer was performed to assess the separation quality and to set up the specific instrument parameters of Agilent® and Shimadzu® instruments. Second, the inter-laboratory study was performed following a protocol defined by the sending lab. Analytical results were examined regarding consistencies within- and between-laboratories criteria. Afterwards, the method reproducibility was estimated taking into account variances in replicates, between-days and between-laboratories. Reproducibility variance was larger than that observed during the first study involving only one single type of instrumentation. Indeed, we clearly observed an 'instrument type' effect. Moreover, the reproducibility variance was larger when considering all instruments than each type separately which can be attributed to the variability induced by the instrument configuration. Nevertheless, repeatability and reproducibility variances were found to be similar than those described for LC methods; i.e. reproducibility as %RSD was around 15 %. These results highlighted the robustness and the power of modern analytical SFC technologies to deliver accurate results for pharmaceutical quality control analysis.

Published
2021

36. Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis

Author

Claudio Roscioli, C. Soulier, Marja H. Lamoree, Bernard Bajema, Griet Jacobs, R. Moilleron, Aurélie Fildier, Gianluca Coppola, Pavla Fialová, Julien Le Roux, Cecile Miege, Bastian Schulze, Lubertus Bijlsma, Martijn Pijnappels, Tim Jonkers, Saer Samanipour, Sapia Murgolo, Roman Grabic, Frank Menger, Robert B. Young, Emmanuelle Mebold, Emmanuelle Vulliet, Massimo Peruzzo, Juliane Hollender, Teresa Mairinger, Christelle Margoum, Sylvain Merel, Sarit Kaserzon, Giuseppe Mascolo, Nikolaos S. Thomaidis, Branislav Vrana, Pablo Gago-Ferrero, Ian Allan, Reza Aalizadeh, Denice van Herwerden, Jeroen Meijer, Sara Valsecchi, Nestor Etxebarria, Malcolm J. Reid, Thorsten Klaus Otto Gravert, Florian Dubocq, Martin Ejnar Hansen, Nina Huynh, Emil Frøkjær, HIMS Other Research (FNWI), University of Queensland [Brisbane], University of Amsterdam [Amsterdam] (UvA), Norwegian Institute for Water Research (NIVA), Universitat Jaume I, University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Aarhus University [Aarhus], Riverly (Riverly), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Research Centre for Toxic Compounds in the Environment [Brno] (RECETOX / MUNI), Faculty of Science [Brno] (SCI / MUNI), Masaryk University [Brno] (MUNI)-Masaryk University [Brno] (MUNI), National and Kapodistrian University of Athens (NKUA), Vitens NV, Örebro University, Eurolab Srl, TRACES - Technologie et Recherche en Analyse Chimique pour l'Environnement et la Santé, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), UNIVERSITY OF SOUTH BOHEMIA CESKE BUDEJOVICE CZE, Partenaires IRSTEA, Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA), Instituto Catalán de Investigación del Agua - ICRA (SPAIN) (ICRA), Swiss Federal Insitute of Aquatic Science and Technology [Dübendorf] (EAWAG), École des Ponts ParisTech (ENPC), Flemish Institute for Technological Research (VITO), Vrije Universiteit Amsterdam [Amsterdam] (VU), Laboratoire Eau Environnement et Systèmes Urbains (LEESU), École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12), Universität für Bodenkultur Wien = University of Natural Resources and Life [Vienne, Autriche] (BOKU), Istituto di Ricerca Sulle Acque, Università degli studi di Bari Aldo Moro = University of Bari Aldo Moro (UNIBA), Enveloppes fluides : de la ville à l'exobiologie (EFLUVE (UMS_3563)), Institut national des sciences de l'Univers (INSU - CNRS)-École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Swedish University of Agricultural Sciences (SLU), Rijkswaterstaat [Delft], INSTITUTO DI RICERCA SULLE ACQUE ITA, Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), Colorado State University [Fort Collins] (CSU), NORMAN network, Danish Environmental Protection Agency : MST-667-00207, Aarhus University Research Foundation : AUFF-T-2017-FLS-7-4, University of the Basque Country [Bizkaia] (UPV/EHU), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), University of Natural Resources and Life Sciences (BOKU), Università degli studi di Bari Aldo Moro (UNIBA), Institut national des sciences de l'Univers (INSU - CNRS)-École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), E&H: Environmental Chemistry and Toxicology, and AIMMS

Subjects
Statistics and Probability, Data Descriptor, Computer science, Science, 010501 environmental sciences, Library and Information Sciences, computer.software_genre, 01 natural sciences, Education, Workflow, Set (abstract data type), spectrometry, Non target, Resource (project management), [CHIM.ANAL]Chemical Sciences/Analytical chemistry, 0105 earth and related environmental sciences, Mass spectrometry, [SDE.IE]Environmental Sciences/Environmental Engineering, Drinking Water, 010401 analytical chemistry, Quality control, Environmental monitoring, 6. Clean water, 0104 chemical sciences, Computer Science Applications, Benchmarking, Benchmark (computing), Computer-aided, mass, Data mining, COLLABORATIVE TRIAL, POLLUTANTS, IDENTIFICATION, CONTAMINANTS, ENVIRONMENT, MIXTURES, PLATFORM, SUSPECT, Statistics, Probability and Uncertainty, SDG 6 - Clean Water and Sanitation, Laboratories, computer, Algorithms, Passive sampling, Information Systems
Abstract

Non-target analysis (NTA) employing high-resolution mass spectrometry is a commonly applied approach for the detection of novel chemicals of emerging concern in complex environmental samples. NTA typically results in large and information-rich datasets that require computer aided (ideally automated) strategies for their processing and interpretation. Such strategies do however raise the challenge of reproducibility between and within different processing workflows. An effective strategy to mitigate such problems is the implementation of inter-laboratory studies (ILS) with the aim to evaluate different workflows and agree on harmonized/standardized quality control procedures. Here we present the data generated during such an ILS. This study was organized through the Norman Network and included 21 participants from 11 countries. A set of samples based on the passive sampling of drinking water pre and post treatment was shipped to all the participating laboratories for analysis, using one pre-defined method and one locally (i.e. in-house) developed method. The data generated represents a valuable resource (i.e. benchmark) for future developments of algorithms and workflows for NTA experiments., Measurement(s)chemical • drinking waterTechnology Type(s)high resolution mass spectrometry • non-target analysis • InterlaboratoryFactor Type(s)methodSample Characteristic - Environmentlaboratory environment Machine-accessible metadata file describing the reported data: 10.6084/m9.figshare.15028665

Published
2021

37. Multi-element (13C, 2H and 34S) bulk and compound-specific stable isotope analysis for authentication of Allium species essential oils

Author

Elise Carénini, Yohann Clément, Hervé Casabianca, François Fourel, Aurélien Cuchet, Anthony Anchisi, Frédéric Schiets, Philippe Telouk, Yijiao Yao, Pierre Lanteri, Patrick Jame, PNBS - Produits naturels et biosourcés - Natural & Bio-based Products, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Albert Vieille SAS, Isotopique & Organique - Isotopic & Organic, Laboratoire de Géologie de Lyon - Terre, Planètes, Environnement [Lyon] (LGL-TPE), École normale supérieure - Lyon (ENS Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Équipe 3 - Écologie, Évolution, Écosystemes Souterrains (E3S), Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.)-Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.)-Laboratoire d'Ecologie des Hydrosystèmes Naturels et Anthropisés (LEHNA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Nationale des Travaux Publics de l'État (ENTPE)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Nationale des Travaux Publics de l'État (ENTPE)-Centre National de la Recherche Scientifique (CNRS), Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Géologie de Lyon - Terre, Planètes, Environnement (LGL-TPE), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut national des sciences de l'Univers (INSU - CNRS)-Université Jean Monnet - Saint-Étienne (UJM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Ecologie des Hydrosystèmes Naturels et Anthropisés (LEHNA), and Chemometrics and theoretical chemistry. - Chimiométrie et chimie théorique

Subjects
Food industry, Multicollector-inductively coupled plasma mass spectrometry Isotope ratio mass spectrometry, 01 natural sciences, Allium, 0404 agricultural biotechnology, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Dipropyl trisulfide, Organic chemistry, [CHIM]Chemical Sciences, essential oil Authentication, ComputingMilieux_MISCELLANEOUS, Isotope analysis, Dipropyl disulfide, biology, Chemistry, business.industry, Compound specific, 010401 analytical chemistry, 04 agricultural and veterinary sciences, biology.organism_classification, 040401 food science, Multi element, 0104 chemical sciences, Yield (chemistry), [SDE]Environmental Sciences, business, Food Science, Biotechnology
Abstract

Pure and natural essential oils of Allium species are primarily used in the food industry, but due to their low yield, production quantities can be difficult to achieve and thus can be highly expensive. Due to these problems, adulterations are a reality in this field. The purpose of this research is to develop a multi element stable isotope analysis methodology for authentication of the essential oils of leek, onion, shallot, and chive. Naturalness of these essential oils was achieved by assessment of compound specific δ13C and δ34S: an addition of 5% of synthetic compound can be detected. Chemometric models were undertaken to assess purity by distinction of the Allium samples according to their species origin using bulk stable and compound specific δ13C, δ2H, δ34S, and compositions of their major metabolites dipropyl disulfide, dipropyl trisulfide, methyl propyl disulfide, and methyl propyl trisulfide.

Published
2021

38. Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints

Author

Frédéric Guégan, Lynda Merzoud, Henry Chermette, Christophe Morell, Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Université de Poitiers-Institut national des sciences de l'Univers (INSU - CNRS)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Grand Equipement National De Calcul Intensif/CINES for HPC resources/computer time, Grant/Award Number: project cpt2130

Subjects
Steric effects, Work (thermodynamics), Materials science, 010304 chemical physics, Intermolecular force, General Chemistry, 010402 general chemistry, 01 natural sciences, Transition state, Cycloaddition, state specific dual descriptor (SSDD), 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Computational Mathematics, density functional theory (DFT), conceptual DFT, Chemical physics, 0103 physical sciences, ASM, Density functional theory, Reactivity (chemistry), EDA model, Diels-Alder reaction, ComputingMilieux_MISCELLANEOUS, Diels–Alder reaction
Abstract

The present work reports the computational study of the major Diels-Alder reaction between 2-bromocycloalkenone and a variety of mono- and di-substituted dienes. Through density functional theory (DFT) calculations and subsequent activation strain model/energy decomposition analysis/conceptual DFT (C-DFT) analyses, the key factors governing the activation barriers heights, and thus reactivity, are characterized. In contrast with a previous study, steric effects do not appear to control reactivity. Conversely, in all presented cases, a subtle interplay between deformation and interaction energies is evidenced at transition states. In the end, neither term alone is enough to explain or predict reactivity. Yet a simple C-DFT descriptor allows to predict with a reasonable efficiency the activation barriers: the excitation energy needed to observe a charge transfer from the diene to the dienophile. Theoretical elements are provided to support the use of this descriptor.

Published
2021

39. Thionine-functionalized three-dimensional carbon nanomaterial-based aptasensor for analysis of Aβ oligomers in serum

Author

Shizhen Song, Nicole Jaffrezic-Renault, Shuang Rong, Huarong Ye, Dan Tao, Sinan Fu, Chang Xie, Zhenzhong Guo, Hubei Prov Key Lab Occupat Hazard Identificat & C, Wuhan University of Science & Technology, Resources & Environm Engn Coll, Wuhan University of Science and Technology, School of Pubic Health, Dept Nutr & Food Hyg, China Resources & Wisco Gen Hosp, Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and This work was supported by National Natural Science Founda-tion of China (No. 81973097) , Key Research and Development Project of Hubei Province (No. 2020BCB022) , Outstanding Young and Middle-Aged Technology Innovation Team Project of Hubei Provincial Department of Education (No. T2020003) , Opening Project of Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education of Jianghan University (No. JDGD-202018) . CNRS is acknowledged for support through IRN MAREES #0876.

Subjects
02 engineering and technology, Carbon nanotube, Biosensing Techniques, Conjugated system, 010402 general chemistry, Electrochemistry, 01 natural sciences, Biochemistry, Thionine, Analytical Chemistry, law.invention, chemistry.chemical_compound, law, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Phenothiazines, Environmental Chemistry, [CHIM]Chemical Sciences, Humans, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Spectroscopy, ComputingMilieux_MISCELLANEOUS, Detection limit, Nanocomposite, Chemistry, Graphene, Nanotubes, Carbon, Aptamers, Nucleotide, 021001 nanoscience & nanotechnology, Combinatorial chemistry, 0104 chemical sciences, 3. Good health, Differential pulse voltammetry, 0210 nano-technology, Afi oligomersAlzheimer's diseaseAptasensorTh-rGO-MWCNTsHuman serum
Abstract

How to sensitively detect early biomarkers of Alzheimer's disease (AD) is nowadays, one of the major challenges. In this work, Aβ oligomers (AβO), one of the AD biomarkers, was analyzed using an electrochemical aptasensor, which was prepared based on thionine (Th) - functionalized three - dimensional carbon nanomaterials (reduced graphene oxide (rGO) and multi-wall carbon nanotubes (MWCNTs)) immobilized DNA-aptamer. Th, a positively charged planar aromatic molecule, form many π - π conjugated structures with rGO and MWCNTs, then improving the structural stability, electron transfer and the capacitive properties of Th-rGO-MWCNTs nanocomposites. Under the optimal conditions, differential pulse voltammetry (DPV) current responses decreased with the increase of AβO concentration. The obtained AβO aptasensor presented a wide linear range of 0.0443 pM–443.00 pM and limit of detection (LOD) was 10 fM. Meanwhile, AβO aptasensor displayed remarkable stability and selectivity. It has a great potential for early diagnosis of AD in human real serum samples.

Published
2021

40. A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa‐Diels–Alder cycloaddition of substituted diene with benzaldehyde

Author

Abdelmalek Khorief Nacereddine, Christophe Morell, Henry Chermette, Lynda Merzoud, Lab Phys Chem & Biol Mat, Higher Normal Sch Technol Educ Skikda, Chemometrics and Theoretical Chemistry - Chimiométrie et chimie théorique, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Ministry of Higher Education and Scientific Research of the Algerian Government, Grant/Award Number: B00L01UN230120180010

Subjects
chemistry.chemical_classification, 010304 chemical physics, Diene, Chemistry, Alkene, General Chemistry, Interaction energy, 010402 general chemistry, 01 natural sciences, Chemical reaction, Cycloaddition, 0104 chemical sciences, Chemical kinetics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Computational Mathematics, chemistry.chemical_compound, Computational chemistry, 0103 physical sciences, Lewis acids and bases, ComputingMilieux_MISCELLANEOUS, Natural bond orbital
Abstract

The selectivity and the mechanism of the uncatalyzed and AlCl3 catalyzed hetero-Diels-Alder reaction (HDR) between ([E]-4-methylpenta-2,4-dienyloxy)(tert-butyl)dimethylsilane 1 and benzaldehyde 2 have been studied using density functional theory at the MPWB1K/6-31G(d) level of theory. The uncatalyzed HDR between diene 1 and alkene 2 is characterized by a polar character and proceeds via an asynchronous one-step mechanism for the meta paths and synchronous for the ortho ones. In the presence of AlCl3 catalyst, the mechanism changes to be stepwise, while the first step is the rate-determining step. The activation energies widely decrease, and the polar character increases dramatically. A large analysis of the mechanism is performed using the activation strain model/energy decomposition analysis (ASM/EDA) model, the natural bond orbital (NBO) and state specific dual descriptors (SSDDs). The obtained results indicate that the combined interaction energy associated with the distortion of the reactants in these HDR are at the origin of the observed kinetics. NBO analyses were applied to estimate the Lewis-acid catalyst donor-acceptor interaction with the molecular system. The SSDD analysis shed light into the orientation effects on the reaction kinetics by providing important information about charge transfer interactions during the chemical reaction. It indicates that the more favorable HDR pathway have the lowest excitation energies, facilitating the interaction between diene 1 and benzaldehyde 2 moieties. Non-covalent interaction (NCI) and QTAIM analyses of the meta-endo structure indicate that the presence of several weak NCIs formed at this approach is at the origin of the meta-endo selectivity.

Published
2021

41. Serpentinization in formate-bearing fluids: an experimental approach at 300 °C-25 MPa

Author

Muriel Andreani, Hervé Cardon, Ingrid Antheaume, Xavier Saupin, Patrick Jame, Emmanuelle Albalat, Olivier Sissmann, Erik Bonjour, Samuel Barbier, Eric C. Gaucher, Vincent Grossi, Clementine Fellah, Bénédicte Ménez, Isabelle Daniel, Laboratoire de Géologie de Lyon - Terre, Planètes, Environnement (LGL-TPE), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut national des sciences de l'Univers (INSU - CNRS)-Université Jean Monnet - Saint-Étienne (UJM)-Centre National de la Recherche Scientifique (CNRS), Centre scientifique et Technique Jean Feger (CSTJF), TOTAL FINA ELF, IFP Energies nouvelles (IFPEN), Institut de Physique du Globe de Paris (IPGP (UMR_7154)), Institut national des sciences de l'Univers (INSU - CNRS)-Université de La Réunion (UR)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Isotopique & Organique - Isotopic & Organic, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), the European Association of Geochemistry and the Geochemical Society, Laboratoire de Géologie de Lyon - Terre, Planètes, Environnement [Lyon] (LGL-TPE), Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon), Total SA - CSTJF, Institut de Physique du Globe de Paris (IPGP), Institut national des sciences de l'Univers (INSU - CNRS)-IPG PARIS-Université de La Réunion (UR)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
chemistry.chemical_compound, Bearing (mechanical), Chemistry, law, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Formate, ComputingMilieux_MISCELLANEOUS, Nuclear chemistry, law.invention
Abstract

International audience

Published
2021

42. Smart gating porous particles as new carriers for drug delivery

Author

Noureddine Lebaz, Abdelhamid Elaissari, Kamonchanok Thananukul, Chariya Kaewsaneha, Pakorn Opaprakasit, Abdelhamid Errachid, School of Bio-Chemical Engineering and Technology - Sirindhorn International Institute of Technology (SIIT), Thammasat University (TU), Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
Computer science, Polymers, Pharmaceutical Science, Nanotechnology, 02 engineering and technology, Gating, Regenerative medicine, 03 medical and health sciences, Drug Delivery Systems, Controlled delivery, Humans, ComputingMilieux_MISCELLANEOUS, 030304 developmental biology, 0303 health sciences, Drug Carriers, Tissue Engineering, technology, industry, and agriculture, Temperature, Hydrogen-Ion Concentration, [SDV.SP]Life Sciences [q-bio]/Pharmaceutical sciences, 021001 nanoscience & nanotechnology, Controlled release, 3. Good health, Magnetic Fields, Targeted drug delivery, Drug delivery, 0210 nano-technology, Porous medium, Oxidation-Reduction, Porosity
Abstract

The design of smart drug delivery carriers has recently attracted great attention in the biomedical field. Smart carriers can specifically respond to physical and chemical changes in their environment, such as temperature, photoirradiation, ultrasound, magnetic field, pH, redox species, and biomolecules. This review summarizes recent advances in the integration of porous particles and stimuli-responsive gatekeepers for effective drug delivery. Their unique structural properties play an important role in facilitating the diffusion of drug molecules and cell attachment. Various techniques for fabricating porous materials, with their major advantages and limitations, are summarized. Smart gatekeepers provide advanced functions such as "open-close" switching by functionalized stimuli-responsive polymers on a particle's pores. These controlled delivery systems enable drugs to be targeted at specific rates, time programs, and sites of the human body. The gate structures, gating mechanisms, and controlled release mechanisms of each trigger are detailed. Current ongoing research and future trends in targeted drug delivery, tissue engineering, and regenerative medicine applications are highlighted.

Published
2021

43. Theoretical study and analytical performance of a lysozyme impedimetric microsensor based on a molecularly imprinted chitosan film

Author

François Bessueille, Saliha Bourouina-Bacha, Mustapha Bourouina, Albert Alcacer, Joan Bausells, Marie Martin, Abdelhamid Errachid, Sylvain Minot, Nicole Jaffrezic-Renault, Fares Zouaoui, Nadia Zine, Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), laboratoire de génie de l’environnement, Université Abderrahmane Mira [Béjaïa], Instituto de Microelectrònica de Barcelona (IMB-CNM), Centro Nacional de Microelectronica [Spain] (CNM)-Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Surfaces, KardiaTool grant #768686 and from CAMPUS FRANCE program under grant agreement PROFAS B+ and PHC MAGHREB #39382RE., European Project: 768686,KardiaTool, Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Scanning electron microscope, Lysozyme, 02 engineering and technology, 010402 general chemistry, Polypyrrole, 01 natural sciences, chemistry.chemical_compound, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Materials Chemistry, [CHIM]Chemical Sciences, Electrical and Electronic Engineering, Instrumentation, ComputingMilieux_MISCELLANEOUS, Detection limit, Molecularly imprinted polymer, Chitosan, Metals and Alloys, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Dielectric spectroscopy, Linear range, Chemical engineering, chemistry, Electrode, Mathematical modeling, Cyclic voltammetry, 0210 nano-technology, Electrochemical impedance spectroscopy
Abstract

In this study, chitosan based molecularly imprinted polymer (MIP) combined with polypyrrole (PPy) conductive film was applied to develop a novel impedimetric microsensor for the sensitive detection of lysozyme (LYS). MIP-chitosan was electrodeposited with LYS as a template on a PPy film electropolymerized on a gold microlectrode. Cyclic voltammetry measurement (CV), electrochemical impedance spectrometry (EIS), FT-IR analysis and scanning electron microscopy (SEM) were carried out to characterize the resulting microsensors and to confirm the different stages in the manufacturing process. Electrochemical Impedance Spectroscopy (EIS) was used for the determination of LYS in a linear range from 2.17 × 10−11M to 3.5 × 10-6M with a low detection limit of 5 × 10-12M. EIS responses of the different micro-sensors were modeled by using mathematical model that described the phenomena at the electrode/electrolyte interface, while showing the effect of each parameter on the response signal, highlighting how LYS concentration can affect EIS parameters. Meanwhile, the microsensor showed a high sensitivity, a good selectivity, a good reproducibility, good reusability. The construction process was relatively simple and provided a rapid and economical method. The microsensor was successfully applied to detect LYS in fresh chicken-egg white sample.

Published
2021

44. Surface Plasmon Resonance Monitoring of Mono-Rhamnolipid Interaction with Phospholipid-Based Liposomes

Author

Carole Chaix, François Bessueille, Maryam Shokouhi, Carole Farre, Sylvain Minot, Yves Chevalier, Meryem Belkilani, A. Abdelghani, Nicole Jaffrezic-Renault, Interfaces & biosensors - Interfaces & biocapteurs, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), ENSIT - University of Tunis, Research Unit of Nanobiotechnology and Valorisation of Medicinal Plants, INSAT - University of Carthage, Department of chemistry, University of Isfahan, Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), Surfaces, and Micro & Nanobiotechnologies

Subjects
Streptavidin, education, Phospholipid, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Rhamnose, chemistry.chemical_compound, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Monolayer, Electrochemistry, [CHIM]Chemical Sciences, General Materials Science, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Vesicles, Surface plasmon resonance, Lipid bilayer, Surface plasmon resonance spectroscopy, Spectroscopy, ComputingMilieux_MISCELLANEOUS, Phospholipids, Liposome, Vesicle, Decanoates, Surfaces and Interfaces, Surface Plasmon Resonance, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Membrane, chemistry, Liposomes, Biophysics, Gold, 0210 nano-technology, Layers
Abstract

The interactions of mono-rhamnolipids (mono-RLs) with model membranes were investigated through a biomimetic approach using phospholipid-based liposomes immobilized on a gold substrate and also by the multiparametric surface plasmon resonance (MP-SPR) technique. Biotinylated liposomes were bound onto an SPR gold chip surface coated with a streptavidin layer. The resulting MP-SPR signal proved the efficient binding of the liposomes. The thickness of the liposome layer calculated by modeling the MP-SPR signal was about 80 nm, which matched the average diameter of the liposomes. The mono-RL binding to the film of the phospholipid liposomes was monitored by SPR and the morphological changes of the liposome layer were assessed by modeling the SPR signal. We demonstrated the capacity of the MP-SPR technique to characterize the different steps of the liposome architecture evolution, i.e., from a monolayer of phospholipid liposomes to a single phospholipid bilayer induced by the interaction with mono-RLs. Further washing treatment with Triton X-100 detergent left a monolayer of phospholipid on the surface. As a possible practical application, our method based on a biomimetic membrane coupled to an SPR measurement proved to be a robust and sensitive analytical tool for the detection of mono-RLs with a limit of detection of 2 μg mL-1.

Published
2021

45. Contribution de la GC-IRMS pour le contrôle de l’authenticité de produits naturels

Author

Jame, Patrick, Anchisi, Anthony, Isotopique & Organique - Isotopic & Organic, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Bussy, Agnès

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

National audience

Published
2021

46. Nanoencapsulation of Essential Oils as Natural Food Antimicrobial Agents: An Overview

Author

Emilie Dumas, Wei Liao, Waisudin Badri, Abdelhamid Elaissari, Sami Ghnimi, Adem Gharsallaoui, Rémi Saurel, Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique (LAGEPP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS), ISARA-Lyon, Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Physico-Chimie de l'Aliment et du Vin (PCAV), Procédés Alimentaires et Microbiologiques [Dijon] (PAM), and Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement

Subjects
0106 biological sciences, Technology, Food industry, QH301-705.5, QC1-999, [SDV]Life Sciences [q-bio], 01 natural sciences, nanoencapsulation, 0404 agricultural biotechnology, Healthy food, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, 010608 biotechnology, [CHIM]Chemical Sciences, General Materials Science, Biology (General), Instrumentation, QD1-999, essential oils, Fluid Flow and Transfer Processes, Food Preservatives, antimicrobial activity, business.industry, food preservation, Process Chemistry and Technology, Physics, Low dose, General Engineering, 04 agricultural and veterinary sciences, Antimicrobial, Engineering (General). Civil engineering (General), 040401 food science, Computer Science Applications, Chemistry, Natural food, Food systems, Biochemical engineering, Business, TA1-2040
Abstract

International audience; The global demand for safe and healthy food with minimal synthetic preservatives is continuously increasing. Natural food antimicrobials and especially essential oils (EOs) possess strong antimicrobial activities that could play a remarkable role as a novel source of food preservatives. Despite the excellent efficacy of EOs, they have not been widely used in the food industry due to some major intrinsic barriers, such as low water solubility, bioavailability, volatility, and stability in food systems. Recent advances in nanotechnology have the potential to address these existing barriers in order to use EOs as preservatives in food systems at low doses. Thus, in this review, we explored the latest advances of using natural actives as antimicrobial agents and the different strategies for nanoencapsulation used for this purpose. The state of the art concerning the antibacterial properties of EOs will be summarized, and the main latest applications of nanoencapsulated antimicrobial agents in food systems will be presented. This review should help researchers to better choose the most suitable encapsulation techniques and materials.

Published
2021

47. In vial Ion Pairing Chromatography coupled to tandem Mass Spectrometry for Aminoglycosides analysis and application to wastewater samples

Author

Guironnet, Alexandre, Wiest, Laure, Vulliet, Emmanuelle, TRACES - Technologie et Recherche en Analyse Chimique pour l'Environnement et la Santé, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.ANAL]Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

National audience

Published
2021

48. Explorer le Paysage Conformationnel à l'aide de la Spectrométrie de Mobilité Ionique en Tandem

Author

Le Fèvre, Aurélien, ANABIO-MS - Analyse biomoléculaire par spectrométrie de masse - Biological Analysis by Mass Spectrometry, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Bussy, Agnès

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

National audience

Published
2021

49. A comprehensive study on the phenomenon of total breakthrough in liquid chromatography

Author

Soraya Chapel, Florent Rouvière, Vincent Peppermans, Gert Desmet, Sabine Heinisch, Chromatography & Hyphenated Techniques - Chromatographie et techniques couplées, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Department of Chemical Engineering, Vrije Universiteit Brussel [Bruxelles] (VUB), Chemical Engineering and Industrial Chemistry, Department of Bio-engineering Sciences, Industrial Microbiology, and Chemical Engineering and Separation Science

Subjects
Work (thermodynamics), Analyte, Liquid chromatography, Context (language use), 02 engineering and technology, 01 natural sciences, Biochemistry, Analytical Chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Phase (matter), Total breakthrough phenomenon Liquid chromatography Injection solvent strength Peptides Ionizable compounds, Ionizable Compounds, Range (particle radiation), Chromatography, Chemistry, Elution, 010401 analytical chemistry, Organic Chemistry, General Medicine, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Solvent, Stationary phase, Injection solvent strength, Solvents, Total breakthrough phenomenon, 0210 nano-technology, Peptides, Chromatography, Liquid
Abstract

International audience; Differences in elution strength between the sample solvent and the mobile phase usually give rise to undesirable effects on the chromatographic separation, which may range from slight broadening to severe peak deformation or even splitting. In the most extreme case, the retention factor of the analyte at the head of the column is so small at the time of injection that part of the analyte goes through the column with very little interaction with the stationary phase and hence elutes very close to the column dead time. This phenomenon is known as breakthrough. Usually, during breakthrough, the retained peak displays a wide array of deformations and it is not rare that multiple retained peaks appear for a given injected analyte. However, under certain conditions, it has been demonstrated that these deleterious effects could fully disappear, leaving only one breakthrough peak and one symmetrical peak on the chromatogram. This so-called “total breakthrough” phenomenon was recently highlighted in the specific context of the 2D-LC separation of peptides but has yet to be explained. In the present paper, we describe the results of a comprehensive study aiming to better understand and define the conditions of emergence of both breakthrough and total breakthrough phenomena in liquid chromatography. The effects of a broad range of parameters, including the nature of the solute, the retention mechanism, the injection and elution conditions, the column temperature, and the injected sample concentration on the occurrence of both phenomena were investigated. While breakthrough was found to occur for all studied compounds, it appears that the presence of positive charges on the molecule is a prerequisite for observing a total breakthrough phenomenon. Among all the parameters investigated in this work, only the injection conditions and the analyte retention were found to be impactful on the onset of both phenomena. This finding allowed us to suggest one necessary and sufficient condition, relying on the injection of critical volumes to observe each respective phenomenon. These critical volumes only depend on the column dead volume and the retention factor of the analyte in the injection solvent.

Published
2021

50. La spectrométrie de masse haute résolution pour la recherche de micropolluants organiques dans l’environnement

Author

Soulier, Coralie, Boiteux, Virginie, Candido, Patrick, Caupos, Emilie, Chachignon, Mathilde, Couturier, Guillaume, Dauchy, Xavier, Devier, Marie-Hélène, Esperanza, Mar, Fildier, Aurélie, Gardia-Parege, Caroline, Guibal, Robin, Le Roux, Julien, Leroy, Gaëla, Lestremau, François, Lissalde, Sophie, Noyon, Naike, Piram, Anne, Vulliet, Emmanuelle, Margoum, christelle, Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), Laboratoire d'hydrologie de Nancy (LHN), Agence nationale de sécurité sanitaire de l'alimentation, de l'environnement et du travail (ANSES), Eau de Paris, Laboratoire Eau Environnement et Systèmes Urbains (LEESU), École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12), Veolia Environnement Research and Innovation, Université de Bordeaux (UB), UMR 5805 Environnements et Paléoenvironnements Océaniques et Continentaux (EPOC), Observatoire aquitain des sciences de l'univers (OASU), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), Centre International de Recherche Sur l'Eau et l'Environnement [Suez] (CIRSEE), SUEZ ENVIRONNEMENT (FRANCE), TRACES - Technologie et Recherche en Analyse Chimique pour l'Environnement et la Santé, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Univ Limoges, PEIRENE, Equipe Dev Indicateurs Previs Qual Eaux, URA IRSTEA, 123 Ave Albert Thomas, F-87060 Limoges, France, Université de Limoges (UNILIM), Institut National de l'Environnement Industriel et des Risques (INERIS), LCE- Aix Marseille Université (AMU), Riverly (Riverly), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Environnements et Paléoenvironnements OCéaniques (EPOC), Université Sciences et Technologies - Bordeaux 1 (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Sciences et Technologies - Bordeaux 1 (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-École Pratique des Hautes Études (EPHE), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Chimie de l'environnement (LCE), Aix Marseille Université (AMU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and RiverLy - Fonctionnement des hydrosystèmes (RiverLy)

Subjects
High-resolution mass spectrometry, Organic contaminants, Identification, Milieux aquatiques, Data reliability, Aquatic environments, Fiabilité des données, [SDE]Environmental Sciences, Quality control, [CHIM]Chemical Sciences, Contaminants organiques, Contrôle qualité, Spectrométrie de Masse Haute Résolution
Abstract

National audience; Non-targeted analysis is currently experiencing significant developments in the field of environmental analysis since it opens up investigations of environmental quality to a very large number of compounds. This article consists of feedback from 12 French laboratories on the practices and cautions to be considered when carrying out non-targeted analyses, in particular for the detection of suspect compounds in samples from aquatic environments. Although this analytical approach provides new and very promising information, it is still a complex technique that must be used with many precautions to ensure high-quality results. The joint discussions carried out within the group of laboratories make it possible to synthesise technical information in order to present the challenges of this methodology of major interest in environmental analysis. These issues are presented in a simple and accessible way to laboratories, to those requesting analysis or anyone interested in this new analytical approach. We also address locks related to the specificity of non-targeted analyses, the development of methods and the reporting of results, in order to provide keys of understanding for the laboratories and the end-users of the results. This work is thus intended to be a technical guide to discover the benefits and opportunities of non-targeted analysis, and also a set of good practices for those who collect or analyse data obtained with such analytical technologies.; L’analyse non ciblée connaît une forte période de croissance dans le domaine de l’analyse environnementale, car elle ouvre le champ des investigations de la qualité des milieux à un très grand nombre de composés. Cet article consiste en un retour d’expérience de 12 laboratoires français sur les pratiques et les précautions à considérer lors de la réalisation d’analyses non ciblées, en particulier pour la recherche de composés suspects dans les échantillons issus des milieux aquatiques. En effet, si cette technique apporte des informations nouvelles et très prometteuses, elle n’en reste pas moins une technique complexe qu’il convient d’utiliser avec de nombreuses précautions pour assurer des résultats de qualité. La réflexion commune entreprise dans le groupe de laboratoires, a permis de synthétiser des informations techniques afin de présenter les enjeux de cette méthodologie d’intérêt majeur en analyse environnementale de façon simple et accessible aux laboratoires, demandeurs d’analyse ou toute personne intéressée par ce type d’approche. Les verrous liés à la spécificité des analyses non ciblées, au développement de méthodes et au rendu de résultats ont été développés pour fournir des clés de compréhension pour les laboratoires et les utilisateurs de résultats. Ce travail s’attache ainsi à être un guide de découverte de la technique pour les personnes désireuses de voir ce que peut apporter l’analyse non ciblée, mais également un guide de bonnes pratiques pour celles et ceux qui acquièrent ou qui analysent des données issues de ces techniques.

Published
2021

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