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460 results on '"Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)"'

1. Analytical combinations to evaluate the macromolecular composition of extracellular substances (ECS) from Lactobacillus plantarum cell culture media

Author: Dominique Champion, Peio Elichiry-Ortiz, Christian Coelho, Pauline Maes, Stéphanie Weidmann, Procédés Alimentaires et Microbiologiques [Dijon] (PAM), 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, Plate-forme Protéomique CLIPP - Clinical and Innovation Proteomic Platform [Dijon] (CLIPP), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-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)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)
Subjects: Proteomics, Hydrolases, Macromolecular Substances, Nitrogen, Polymers, Size-exclusion chromatography, Carbohydrates, Cell Culture Techniques, 02 engineering and technology, Polysaccharide, 01 natural sciences, Biochemistry, Mass Spectrometry, Analytical Chemistry, Cell wall, Bacterial Proteins, Spectroscopy, Fourier Transform Infrared, Hydrolase, Extracellular, LC-MS/MS, chemistry.chemical_classification, Principal Component Analysis, Proteins identification, biology, Extraction and quantification, 010401 analytical chemistry, 021001 nanoscience & nanotechnology, biology.organism_classification, Carbon, Culture Media, 0104 chemical sciences, Molecular Weight, chemistry, Composition (visual arts), Physicochemical characterization, Sugars, 0210 nano-technology, [SDV.AEN]Life Sciences [q-bio]/Food and Nutrition, Lactobacillus plantarum, Extracellular substances, Macromolecule
Abstract: International audience; Sugar-enriched media are used to produce extracellular substances (ECS) by Lactobacillus plantarum WCSF1, with a focus on growing stages and carbon source substrates. Combination of size exclusion chromatography and ATR-FTIR spectroscopy provides physicochemical patterns of bulk ECS produced along culture growing time. Secreted biopolymers present polydisperse and high molecular weight distributions, with significant amounts of carbohydrates and proteins. Results, supported by a multivariate statistical analysis, enable to differentiate the macromolecular content of bacterial ECS along the growing stages regardless of the growing media, highlighting a higher production of proteinaceous materials compared to polysaccharides. At the end of the exponential phase, common exoproteins were present in all the tested sugar-enriched media such as transglycosylases between 20 and 35 kDa, a muropeptidase at 36.9 kDa and a cell wall hydrolase. Additionally, L. plantarum WCFS1 secretes ECS with a greater diversity of proteins, when growing in the sucrose-enriched media. Graphical abstract.
Published: 2020

2. Identification of Three-Way DNA Junction Ligands through Screening of Chemical Libraries and Validation by Complementary in Vitro Assays

Author: Anton Granzhan, Murielle Chavarot-Kerlidou, David Monchaud, Charles H. Devillers, Katerina Duskova, Coralie Caron, Nicolas Queyriaux, Sébastien Britton, Souheila Amor, Dominique Delmas, Marie-José Penouilh, Guillaume de Robillard, Marie-Paule Teulade-Fichou, Marie Gaschard, Jérémy Lamarche, Bruno Therrien, Monchaud, David, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Lipides - Nutrition - Cancer [Dijon - U1231] (LNC), Université de Bourgogne (UB)-Institut National de la Santé et de la Recherche Médicale (INSERM)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, Chimie, Modélisation et Imagerie pour la Biologie [Orsay], Université Paris-Sud - Paris 11 (UP11)-Institut Curie [Paris]-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Paris-Saclay, Solar fuels, hydrogen and catalysis (SolHyCat ), Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Université de Neuchâtel (UNINE), Pôle Chimie Moléculaire [Dijon] (PACSMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Société d’Accélération du Transfert de Technologie (SATT) Grand Est - Welience, Institut de pharmacologie et de biologie structurale (IPBS), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Santé et de la Recherche Médicale (INSERM), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Société d’Accélération du Transfert de Technologie (SATT) Grand Est - Welience, Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), ANR-17-CE17-0010,DEMENTIA,De l'utilisation de biomarqueurs de maladies neurodégénératives pour le développement de tests de diagnostic précoce et de nouvelles stratégies thérapeutiques(2017), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Institut Curie [Paris]-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11), Solar fuels, hydrogen and catalysis (SolHyCat), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Institut de Chimie, Université de Neuchâtel, Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS)-Société d’Accélération du Transfert de Technologie (SATT) Grand Est - Welience, and Institut de Chimie [Neuchâtel]
Subjects: Spectrometry, Mass, Electrospray Ionization, DNA damage, Electrospray ionization, [CHIM.THER] Chemical Sciences/Medicinal Chemistry, Sulforhodamine B, Antineoplastic Agents, [SDV.CAN]Life Sciences [q-bio]/Cancer, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, Ligands, 01 natural sciences, Small Molecule Libraries, 03 medical and health sciences, chemistry.chemical_compound, Transcription (biology), Cell Line, Tumor, [SDV.BBM.GTP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], Drug Discovery, Fluorescence Resonance Energy Transfer, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, Humans, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Repeated sequence, Cell Proliferation, 030304 developmental biology, 0303 health sciences, DNA, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Förster resonance energy transfer, Biochemistry, chemistry, Nucleic Acid Conformation, Molecular Medicine, Electrophoresis, Polyacrylamide Gel, Human genome
Abstract: International audience; The human genome is replete with repetitive DNA sequences that can fold into thermodynamically stable secondary structures such as hairpins and quadruplexes. Cellular enzymes exist to cope with these structures whose stable accumulation would result in DNA damage through interference with DNA transactions such as transcription and replication. Therefore, the chemical stabilization of secondary DNA structures offers an attractive way to foster DNA transaction-associated damages to trigger cell death in proliferating cancer cells. While much emphasis has been recently given to DNA quadruplexes, we focused here on three-way DNA junctions (TWJ) and report on a strategy to identify TWJ-targeting agents through a combination of in vitro techniques (TWJ-screen, polyacrylamide gel electrophoresis, fluorescence resonance energy transfer-melting, electrospray ionization mass spectrometry, dialysis equilibrium, and sulforhodamine B assays). We designed a complete workflow and screened 1200 compounds to identify promising TWJ ligands selected on stringent criteria in terms of TWJ-folding ability, affinity, and selectivity.
Published: 2019

3. Linear MALDI-ToF simultaneous spectrum deconvolution and baseline removal

Author: Picaud, Vincent, Giovannelli, Jean-Francois, Truntzer, Caroline, Charrier, Jean-Philippe, Giremus, Audrey, Grangeat, Pierre, Mercier, Catherine, Laboratoire d'analyse des données et d'intelligence des systèmes (LADIS), Département Métrologie Instrumentation & Information (DM2I), Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Laboratoire de l'intégration, du matériau au système (IMS), Université Sciences et Technologies - Bordeaux 1-Institut Polytechnique de Bordeaux-Centre National de la Recherche Scientifique (CNRS), Plate-forme Protéomique CLIPP - Clinical and Innovation Proteomic Platform [Dijon] (CLIPP), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Biomérieux SA - R&D Proteom, bioMérieux SA, Commissariat à l'énergie atomique et aux énergies alternatives - Laboratoire d'Electronique et de Technologie de l'Information (CEA-LETI), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de Biométrie et Biologie Evolutive - UMR 5558 (LBBE), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-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), ANR-10-BLAN-0313,BHI-PRO,Inversion hiérarchique bayésienne dédiée à la spectrométrie de masse. Application à la découverte et la validation de nouveaux marqueurs protéiques.(2010), Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Université Sciences et Technologies - Bordeaux 1 (UB)-Institut Polytechnique de Bordeaux-Centre National de la Recherche Scientifique (CNRS), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), and Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Mass spectrometry, Deconvolution, lcsh:Computer applications to medicine. Medical informatics, lcsh:Biology (General), [INFO.INFO-TS]Computer Science [cs]/Signal and Image Processing, Baseline, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization, lcsh:R858-859.7, Peak picking, Artifacts, lcsh:QH301-705.5, [STAT.ME]Statistics [stat]/Methodology [stat.ME], Algorithms, [MATH.MATH-NA]Mathematics [math]/Numerical Analysis [math.NA], Research Article
Abstract: International audience; BackgroundThanks to a reasonable cost and simple sample preparation procedure, linear MALDI-ToF spectrometry is a growing technology for clinical microbiology. With appropriate spectrum databases, this technology can be used for early identification of pathogens in body fluids. However, due to the low resolution of linear MALDI-ToF instruments, robust and accurate peak picking remains a challenging task. In this context we propose a new peak extraction algorithm from raw spectrum. With this method the spectrum baseline and spectrum peaks are processed jointly. The approach relies on an additive model constituted by a smooth baseline part plus a sparse peak list convolved with a known peak shape. The model is then fitted under a Gaussian noise model. The proposed method is well suited to process low resolution spectra with important baseline and unresolved peaks.ResultsWe developed a new peak deconvolution procedure. The paper describes the method derivation and discusses some of its interpretations. The algorithm is then described in a pseudo-code form where the required optimization procedure is detailed. For synthetic data the method is compared to a more conventional approach. The new method reduces artifacts caused by the usual two-steps procedure, baseline removal then peak extraction. Finally some results on real linear MALDI-ToF spectra are provided.ConclusionsWe introduced a new method for peak picking, where peak deconvolution and baseline computation are performed jointly. On simulated data we showed that this global approach performs better than a classical one where baseline and peaks are processed sequentially. A dedicated experiment has been conducted on real spectra. In this study a collection of spectra of spiked proteins were acquired and then analyzed. Better performances of the proposed method, in term of accuracy and reproductibility, have been observed and validated by an extended statistical analysis.
Published: 2018

4. Proteomic characterization of the mucosal pellicle formed in vitro on a cellular model of oral epithelium

Author: Alessandra Olianas, Gianluigi Cabiddu, Pauline Maes, Martine Morzel, Franck Hyvrier, Francis Canon, Hélène Brignot, Barbara Manconi, Tiziana Cabras, Department of Life and Environmental Sciences, University of Cagliari, Université de Cagliari, Plate-forme Protéomique CLIPP - Clinical and Innovation Proteomic Platform [Dijon] (CLIPP), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Centre des Sciences du Goût et de l'Alimentation [Dijon] (CSGA), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Science et Technologie du Lait et de l'Oeuf (STLO), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-AGROCAMPUS OUEST, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), and French National Research Agency (MUFFIN N° 14-20–0001CE-01). Regione Autonoma della Sardegna (P.O.R. F.S.E. 2014–2020) and the European Union ERASMUS+ programme provided financial support for Gianluigi Cabiddu
Subjects: Proteomics, 0301 basic medicine, Saliva, TR146/MUC1 cells, [SDV]Life Sciences [q-bio], Biophysics, Plunc, Biochemistry, Epithelium, 03 medical and health sciences, Tandem Mass Spectrometry, medicine, Humans, Dental Pellicle, Salivary Proteins and Peptides, proteomic, MUC1, Mucosal pellicle, 030102 biochemistry & molecular biology, Chemistry, Mucin, Trypsin, In vitro, Transmembrane protein, Cellular model of oral mucosa, 030104 developmental biology, Proteome, [SDV.AEN]Life Sciences [q-bio]/Food and Nutrition, medicine.drug
Abstract: The oral mucosal pellicle is a thin lubricating layer generated by the binding of saliva proteins on epithelial oral cells. The protein composition of this biological structure has been to date studied by targeted analyses of specific salivary proteins. In order to perform a more exhaustive proteome characterization of pellicles, we used TR146 cells expressing or not the transmembrane mucin MUC1 and generated pellicles by incubation with human saliva and washing to remove unbound proteins. A suitable method was established for the in vitro isolation of the mucosal pellicle by "shaving" it from the cells using trypsin. The extracts, the washing solutions and the saliva used to constitute the pellicles were analyzed by LC MS/MS (data are available via ProteomeXchange with identifier PXD017268). Comparison of pellicle and saliva compositions evidenced the adsorption of proteins not previously reported as pellicle constituents such as proteins of the PLUNC family. Pellicles formed on TR146 and TR146/MUC1 were also analyzed and compared by protein label-free quantification. The two types of samples appeared as distinct clusters in multivariate analyses, but the discriminant proteins (Welch test p .05, FDR 0.1) were cellular rather than salivary proteins. SIGNIFICANCE: The oral mucosal pellicle is made of salivary proteins tightly bound to oral epithelial cells. It is essential to oral health, with biological functions depending largely on its protein constituents. Characterizing its proteome is difficult due to the intimate association of this protein layer to cell membranes. In this work, we report a trypsin "shaving" protocol which enabled to sample the pellicle formed on an in vitro cellular model of oral epithelium. Analyzing such samples by high-resolution mass spectrometry provided novel information on the mucosal pellicle composition. This work is therefore a good starting point for further characterization of this biological structure.
Published: 2020

5. Saracatinib impairs maintenance of human T-ALL by targeting the LCK tyrosine kinase in cells displaying high level of lipid rafts

Author: Géraldine Lucchi, Benjamin Uzan, Françoise Pflumio, Anne Buffière, Laurent Delva, Jean-Noël Bastie, Ronan Quéré, Paola Ballerini, Laetitia Saint-Paul, Théo Accogli, Lipides - Nutrition - Cancer [Dijon - U1231] (LNC), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Santé et de la Recherche Médicale (INSERM), Université Bourgogne Franche-Comté [COMUE] (UBFC), Laboratoire d'Excellence : Lipoprotéines et Santé : prévention et Traitement des maladies Inflammatoires et du Cancer (LabEx LipSTIC), Institut National de la Recherche Agronomique (INRA)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université Paris-Sud - Paris 11 (UP11)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut Gustave Roussy (IGR)-Centre Hospitalier Régional Universitaire de Nancy (CHRU Nancy)-Université de Bourgogne (UB)-Centre Hospitalier Universitaire de Dijon - Hôpital François Mitterrand (CHU Dijon)-Centre Régional de Lutte contre le cancer Georges-François Leclerc [Dijon] (UNICANCER/CRLCC-CGFL), UNICANCER-UNICANCER-Institut National de la Santé et de la Recherche Médicale (INSERM)-Fédération Francophone de la Cancérologie Digestive, FFCD-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Etablissement français du sang [Bourgogne-Franche-Comté] (EFS [Bourgogne-Franche-Comté])-Centre National de la Recherche Scientifique (CNRS)-Centre Hospitalier Régional Universitaire de Besançon (CHRU Besançon)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Montpellier (UM), Plate-forme Protéomique CLIPP - Clinical and Innovation Proteomic Platform [Dijon] (CLIPP), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire de Recherche sur les Cellules Souches Hématopoiétiques et Leucémiques (LSHL), Université Paris Diderot - Paris 7 (UPD7)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut National de la Santé et de la Recherche Médicale (INSERM), Service d'hématologie-immunologie-oncologie pédiatrique [CHU Trousseau], CHU Trousseau [APHP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU), Service d'Hématologie Clinique (CHU de Dijon), Centre Hospitalier Universitaire de Dijon - Hôpital François Mitterrand (CHU Dijon), Institut National de la Recherche Agronomique (INRA)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université Paris-Sud - Paris 11 (UP11)-École pratique des hautes études (EPHE)-Institut Gustave Roussy (IGR)-Centre Hospitalier Régional Universitaire de Nancy (CHRU Nancy)-Université de Bourgogne (UB)-Centre Hospitalier Universitaire de Dijon - Hôpital François Mitterrand (CHU Dijon)-Centre Régional de Lutte contre le cancer - Centre Georges-François Leclerc (CRLCC - CGFL)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Fédération Francophone de la Cancérologie Digestive, FFCD-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Etablissement français du sang [Bourgogne-France-Comté] (EFS [Bourgogne-France-Comté])-Centre National de la Recherche Scientifique (CNRS)-Centre Hospitalier Régional Universitaire [Besançon] (CHRU Besançon)-Université de Franche-Comté (UFC)-Université de Montpellier (UM), Université de Franche-Comté (UFC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Franche-Comté (UFC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Technologie de Belfort-Montbeliard (UTBM)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), Assistance publique - Hôpitaux de Paris (AP-HP) (APHP)-CHU Trousseau [APHP]-Sorbonne Université (SU), Université de Bourgogne (UB)-Institut National de la Santé et de la Recherche Médicale (INSERM)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut Gustave Roussy (IGR)-Centre Hospitalier Régional Universitaire de Nancy (CHRU Nancy)-Centre Hospitalier Régional Universitaire de Besançon (CHRU Besançon)-Université de Bourgogne (UB)-Centre Hospitalier Universitaire de Dijon - Hôpital François Mitterrand (CHU Dijon)-Centre Régional de Lutte contre le cancer Georges-François Leclerc [Dijon] (UNICANCER/CRLCC-CGFL), UNICANCER-UNICANCER-Institut National de la Santé et de la Recherche Médicale (INSERM)-Fédération Francophone de la Cancérologie Digestive, FFCD-Université de Montpellier (UM)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Etablissement français du sang [Bourgogne-Franche-Comté] (EFS [Bourgogne-Franche-Comté])-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP), Institut National de la Recherche Agronomique (INRA)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université Paris-Sud - Paris 11 (UP11)-École Pratique des Hautes Études (EPHE), UNICANCER-UNICANCER-Institut National de la Santé et de la Recherche Médicale (INSERM)-Fédération Francophone de la Cancérologie Digestive, FFCD-Université de Montpellier (UM)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Etablissement français du sang [Bourgogne-Franche-Comté] (EFS BFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), and Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)
Subjects: 0301 basic medicine, Cancer Research, Reactive oxygen species metabolism, [SDV.CAN]Life Sciences [q-bio]/Cancer, Antineoplastic Agents, Precursor T-Cell Lymphoblastic Leukemia-Lymphoma, 03 medical and health sciences, chemistry.chemical_compound, Preclinical research, Mice, Membrane Microdomains, Cell Line, Tumor, Animals, Humans, Acute lymphocytic leukaemia, Benzodioxoles, Lipid raft, ComputingMilieux_MISCELLANEOUS, Membrane potential, Membrane Potential, Mitochondrial, Saracatinib, Chemistry, Hematology, Xenograft Model Antitumor Assays, Disease Models, Animal, 030104 developmental biology, Oncology, Cell culture, Lymphocyte Specific Protein Tyrosine Kinase p56(lck), Cancer research, Neoplastic Stem Cells, Quinazolines, Reactive Oxygen Species, Tyrosine kinase
Abstract: International audience
Published: 2017

6. Epigenomic features of DNA G-quadruplexes and their roles in regulating rice gene transcription

Author: Yilong Feng, Shentong Tao, Pengyue Zhang, Francesco Rota Sperti, Guanqing Liu, Xuejiao Cheng, Tao Zhang, Hengxiu Yu, Xiu-e Wang, Caiyan Chen, David Monchaud, Wenli Zhang, 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: Crops, Agricultural, Epigenomics, 2. Zero hunger, 0303 health sciences, Transcription, Genetic, G-quadruplex, Physiology, rice, 030302 biochemistry & molecular biology, epigenomic signatures, food and beverages, Oryza, DNA, Plant Science, Genes, Plant, Plants, Genetically Modified, regulation of gene transcription, G-Quadruplexes, [SDV.GEN.GPL]Life Sciences [q-bio]/Genetics/Plants genetics, 03 medical and health sciences, Gene Expression Regulation, Plant, global mapping, Genetics, Research Articles, 030304 developmental biology
Abstract: A DNA G-quadruplex (G4) is a non-canonical four-stranded nucleic acid structure involved in many biological processes in mammals. The current knowledge on plant DNA G4s, however, is limited; whether and how DNA G4s impact gene expression in plants is still largely unknown. Here, we applied a protocol referred to as BG4-DNA-IP-seq followed by a comprehensive characterization of DNA G4s in rice (Oryza sativa L.); we next integrated dG4s (experimentally detectable G4s) with existing omics data and found that dG4s exhibited differential DNA methylation between transposable element (TE) and non-TE genes. dG4 regions displayed genic-dependent enrichment of epigenomic signatures; finally, we showed that these sites displayed a positive association with expression of DNA G4-containing genes when located at promoters, and a negative association when located in the gene body, suggesting localization-dependent promotional/repressive roles of DNA G4s in regulating gene transcription. This study reveals interrelations between DNA G4s and epigenomic signatures, as well as implicates DNA G4s in modulating gene transcription in rice. Our study provides valuable resources for the functional characterization or bioengineering of some of key DNA G4s in rice.
Published: 2021

7. Coordinatively Unsaturated Amidotitanocene Cations with Inverted σ and π Bond Strengths: Controlled Release of Aminyl Radicals and Hydrogenation/Dehydrogenation Catalysis

Author: Hélène Cattey, Pierre Le Gendre, E. Daiann Sosa Carrizo, Adrien T. Normand, Stéphane Brandès, Philippe Richard, Paul Fleurat-Lessard, Quentin Bonnin, Tereza Edlová, 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: Olefin fiber, Valence (chemistry), 010405 organic chemistry, Bond strength, Chemistry, Radical, Organic Chemistry, General Chemistry, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Catalysis, 0104 chemical sciences, Homolysis, [CHIM]Chemical Sciences, Dehydrogenation, Reactivity (chemistry), ComputingMilieux_MISCELLANEOUS
Abstract: Cationic amidotitanocene complexes [Cp2 Ti(NPhAr)][B(C6 F5 )4 ] (Cp=η5 -C5 H5 ; Ar=phenyl (1 a), p-tolyl (1 b), p-anisyl (1 c)) were isolated. The bonding situation was studied by DFT (Density Functional Theory) using EDA-NOCV (Energy Decomposition Analysis with Natural Orbitals for Chemical Valence). The polar Ti-N bond in 1 a-c features an unusual inversion of σ and π bond strengths responsible for the balance between stability and reactivity in these coordinatively unsaturated species. In solution, 1 a-c undergo photolytic Ti-N cleavage to release Ti(III) species and aminyl radicals ⋅NPhAr. Reaction of 1 b with H3 BNHMe2 results in fast homolytic Ti-N cleavage to give [Cp2 Ti(H3 BNHMe2 )][B(C6 F5 )4 ] (3). 1 a-c are highly active precatalysts in olefin hydrogenation and silanes/amines cross-dehydrogenative coupling, whilst 3 efficiently catalyzes amine-borane dehydrogenation. The mechanism of olefin hydrogenation was studied by DFT and the cooperative H2 activation key step was disclosed using the Activation Strain Model (ASM).
Published: 2021

8. Unsymmetrically Substituted Bis(phosphino)Ferrocenes Triggering Through-Space 31(P, P′)-Nuclear Spin Couplings and Encapsulating Coinage Metal Cations

Author: Paul Fleurat-Lessard, Jean-Cyrille Hierso, Nadine Pirio, Hélène Cattey, Marie-José Penouilh, Julien Roger, Tuan-Anh Nguyen, 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: 010405 organic chemistry, Chemistry, Organic Chemistry, 010402 general chemistry, Space (mathematics), 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, Metal, Crystallography, visual_art, visual_art.visual_art_medium, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Physical and Theoretical Chemistry
Abstract: International audience; We describe unsymmetrically substituted di-tert-butylated 1,1'-bis(phosphino)ferrocenes, with phosphino substituents R = [5-methyl]-2-furyl = Fu, and R' = phenyl (4a), i-propyl (4b). A modular synthetic approach was applied from the di-tert-butylated ferrocene platform (1), which lead to the formation of new diphosphines by using 1,1'bis(diiodo)-3,3'-bis(tert-butyl)ferrocene (2) as synthetic precursor. In contrast to the cousin non-alkylated unsymmetrically substituted diphosphino-ferrocenes which were reported up to now, these diphosphines showed strong (31 P, P')nonbonded (" ug-p e") nuclear spin-spin coupling. The strength of such internuclear spin-spin coupling constant (SSCCs) J PP' ranges between 17 and 35 Hz, and as such, are not associated to traditional " ug-b d" 4 J PP. The characterizations of these ferrocene derivatives by X-ray diffraction in the solid state, and by multinuclear NMR in solution, evidence that the strong SSCCs are attributable to the conformational constraint which is imposed to ferrocene backbone by the introduction of alkyl substituents on this platform. The molecular structures resolved in the solid-state showed long P…P u u l ep up to 6.9168(8) Å, while in solution a (P, P')-phosphorus lone-pair overlap clearly occurs. This testifies to a sufficient degree of rotational flexibility of the alkylated ferrocene backbone. We examined the coordination chemistry of these diphosphines towards coinage metals: Cu, Ag and Au. The constraint unsymmetrically substituted diphosphines 4a and 4b allowed the selective formation of dinuclear two-coordinate linear gold(I) complexes with strong Au…Au aurophilic interactions. They also lead to rare tetrahedral homoleptic d 10 monocationic complexes, with all the coinage metals, by structuring the encapsulation of the cation in a highly constraint environment where the stacking interactions of the (hetero)aromatic substituents of the phosphino groups are decisive. The resulting AA'XX' 31 P NMR signature in solution of the complexes was simulated and analyzed, as well as the stacking interactions between the pairs of furyl rings that were illustrated by noncovalent interactions (NCI) computation.
Published: 2021

9. Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)]

Author: M. M. Kubicki, Yoann Rousselin, Lydie Viau, Michael Knorr, Univers, Transport, Interfaces, Nanostructures, Atmosphère et environnement, Molécules (UMR 6213) (UTINAM), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - 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: crystal structure, Coordination polymer, C—H⋯Br hydrogen bonding, Crystal structure, 010402 general chemistry, 01 natural sciences, Research Communications, c—h...br hydrogen bonding, Crystal, chemistry.chemical_compound, C—H...Br hydrogen bonding, [CHIM.CRIS]Chemical Sciences/Cristallography, Thiophene, [CHIM.COOR]Chemical Sciences/Coordination chemistry, General Materials Science, SBus, Crystallography, biology, 010405 organic chemistry, Hydrogen bond, General Chemistry, Condensed Matter Physics, biology.organism_classification, 0104 chemical sciences, 3. Good health, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, QD901-999, two-dimensional coordination polymer, Tetra, Cu2Br2 rhomboids, tetrahydrothiophene, tetrahydrothiophene, Tetrahydrothiophene
Abstract: Treatment of CuBr with tetrahydrothiophene produces a layered coordination polymer., The polymeric title compound, [Cu2Br2(C4H8S)2]n, CP1, represents an example of a two-dimensional coordination polymer resulting from reaction of CuBr with tetrahydrothiophene (THT) in MeCN solution. The two-dimensional layers consist of two different types of rhomboid-shaped dinuclear Cu(μ2-Br)2Cu secondary building units (SBUs); one with a quite loose Cu⋯Cu separation of 3.3348 (10) Å and a second one with a much closer intermetallic contact of 2.9044 (9) Å. These SBUs are interconnected through bridging THT ligands, in which the S atom acts as a four-electron donor bridging each Cu(μ2-Br)2Cu unit in a μ2-bonding mode. In the crystal, the layers are linked by very weak C—H⋯·Br hydrogen bonds with H⋯Br distances of 2.95 Å, thus giving rise to a three-dimensional supramolecular network.
Published: 2021

10. Mass Transport in Nanoporous Gold and Correlation with Surface Pores for EC 1 Mechanism: Case of Ascorbic Acid

Author: Vinicius L. Furtado, Abhishek Kumar, Lúcio Angnes, Josué M. Gonçalves, Koiti Araki, Marcel Bouvet, Mauro Bertotti, Rita Meunier-Prest, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), and Centre National de la Recherche Scientifique (CNRS)
Subjects: Mass transport, Materials science, ELETROQUÍMICA, Nanoporous, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrochemistry, Ascorbic acid, 01 natural sciences, Catalysis, 0104 chemical sciences, Chemical engineering, [CHIM]Chemical Sciences, 0210 nano-technology, Mechanism (sociology)
Abstract: International audience; Entry for the Table of Contents Playing with the pores: Surface pores size in nanoporous gold modulates the electrode reactions pathways of ascorbic acid. The reaction is largely driven by diffusion when pores are smaller (nanometer). On the contrary, adsorption holds the key role when pores are bigger (micrometer), allowing permeation of molecules in the film volume.
Published: 2021

11. Protein mass spectra data analysis for clinical biomarker discovery

Author: Roy, Pascal, Truntzer, C., Maucort-Boulch, D., Jouve, T., Molinari, Nicolas, Laboratoire de Biométrie et Biologie Evolutive - UMR 5558 (LBBE), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-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), Biostatistiques santé, Département biostatistiques et modélisation pour la santé et l'environnement [LBBE], Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-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)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-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)-Laboratoire de Biométrie et Biologie Evolutive - UMR 5558 (LBBE), Plate-forme Protéomique CLIPP - Clinical and Innovation Proteomic Platform [Dijon] (CLIPP), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Aide à la Décision pour une Médecine Personnalisé - Laboratoire de Biostatistique, Epidémiologie et Recherche Clinique - EA 2415 (AIDMP), Université Montpellier 1 (UM1)-Université de Montpellier (UM), Service de Biostatistiques [Lyon], Hospices Civils de Lyon (HCL), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-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)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)
Subjects: validation, pre-processing, clinical proteomics, statistics, identification, biomarker, [INFO]Computer Science [cs], [MATH]Mathematics [math]
Abstract: International audience; The identification of new diagnostic or prognostic biomarkers is one of the main aims of clinical cancer research. In recent years there has been a growing interest in using high throughput technologies for the detection of such biomarkers. In particular, mass spectrometry appears as an exciting tool with great potential. However, to extract any benefit from the massive potential of clinical proteomic studies, appropriate methods, improvement and validation are required. To better understand the key statistical points involved with such studies, this review presents the main data analysis steps of protein mass spectra data analysis, from the pre-processing of the data to the identification and validation of biomarker
Published: 2011

12. Insights into G-Quadruplex–Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding

Author: Barira Islam, Michal Otyepka, Jielin Chen, David Monchaud, Jiří Šponer, Jean-Louis Mergny, Jun Zhou, Petr Stadlbauer, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire d'Optique et Biosciences (LOB), and École polytechnique (X)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)
Subjects: [SDV.BIO]Life Sciences [q-bio]/Biotechnology, DNAzyme, Guanine, DNA Folding, Deoxyribozyme, Molecular Dynamics Simulation, 010402 general chemistry, G-quadruplex, DNA folding, 01 natural sciences, DNA ligand, 03 medical and health sciences, chemistry.chemical_compound, Molecular dynamics, 0103 physical sciences, Molecule, [INFO]Computer Science [cs], [INFO.INFO-BT]Computer Science [cs]/Biotechnology, Physical and Theoretical Chemistry, 030304 developmental biology, 0303 health sciences, 010304 chemical physics, biology, Molecular dynamics simulations, G-quartet, [CHIM.CATA]Chemical Sciences/Catalysis, DNA, Catalytic, 0104 chemical sciences, Computer Science Applications, G-Quadruplexes, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Folding (chemistry), chemistry, Quadruplex nucleic acids, Chaperone (protein), Biocatalysis, biology.protein, Biophysics, Hemin, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], Biosensor, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract: Guanine quadruplex nucleic acids (G4s) are involved in key biological processes such as replication or transcription. Beyond their biological relevance, G4s find applications as biotechnological tools since they readily bind hemin and enhance its peroxidase activity, creating a G4-DNAzyme. The biocatalytic properties of G4-DNAzymes have been thoroughly studied and used for biosensing purposes. Despite hundreds of applications and massive experimental efforts, the atomistic details of the reaction mechanism remain unclear. To help select between the different hypotheses currently under investigation, we use extended explicit-solvent molecular dynamics (MD) simulations to scrutinize the G4/hemin interaction. We find that besides the dominant conformation in which hemin is stacked atop the external G-quartets, hemin can also transiently bind to the loops and be brought to the external G-quartets through diverse delivery mechanisms. The simulations do not support the catalytic mechanism relying on a wobbling guanine. Similarly, catalytic role of the iron-bound water molecule is not in line with our results, however, given the simulation limitations, this observation should be considered with some caution. The simulations rather suggest tentative mechanisms in which the external G-quartet itself could be responsible for the unique H2O2-promoted biocatalytic properties of the G4/hemin complexes. Once stacked atop a terminal G-quartet, hemin rotates about its vertical axis while readily sampling shifted geometries where the iron transiently contacts oxygen atoms of the adjacent G-quartet. This dynamics is not apparent from the ensemble-averaged structure. We also visualize transient interactions between the stacked hemin and the G4 loops. Finally, we investigated interactions between hemin and on-pathway folding intermediates of the parallel-stranded G4 fold. The simulations suggest that hemin drives the folding of parallel-stranded G4s from slip-stranded intermediates, acting as a G4 chaperone. Limitations of the MD technique are briefly discussed.For Table of Contents Only
Published: 2021

13. Nanocatalysts for High Selectivity Enyne Cyclization: Oxidative Surface Reorganization of Gold Sub-2-nm Nanoparticle Networks

Author: Philippe Serp, Emmanuel Lerayer, Pierre Roblin, M. Rosa Axet, Yuanyuan Min, Tuan-Anh Nguyen, Olivier Heintz, Iann C. Gerber, Julien Roger, Jean-Cyrille Hierso, Didier Poinsot, Romuald Poteau, Yannick Coppel, Myrtil L. Kahn, H. Nasrallah, Franck Jolibois, Stéphane Brandès, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Laboratoire de physique et chimie des nano-objets (LPCNO), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), CNRS, Université de Bourgogne, Conseil Régional Bourgogne Franche-Comté (CHIMENE project), PIA-excellence ISITE-BFC program (COMICS project: Chemistry of Molecular Interactions Catalysis and Sensors), Fonds Européen de Développement Régional (FEDER), and ANR-16-CE07-0007,ICARE_1,Nanostrucutres métal@carbone innovante pour une catalyse durable(2016)
Subjects: Materials science, Alkyne, Ligands, 010402 general chemistry, 01 natural sciences, Article, enyne cyclization, Cycloisomerization, Cascade reaction, Selectivity, [CHIM.COOR]Chemical Sciences/Coordination chemistry, QD1-999, chemistry.chemical_classification, diamondoids, Enyne, 010405 organic chemistry, Combinatorial chemistry, Hydrocarbons, Nanomaterial-based catalyst, 0104 chemical sciences, Chemistry, chemistry, Cyclization, Colloidal gold, gold sub-2-nm nanoparticles, Propargyl, nanocatalysts, Gold
Abstract: International audience; Ultrasmall gold nanoparticles (NPs) stabilized in networks by polymantane ligands (diamondoids) were successfully used as precatalysts for highly selective heterogeneous gold-catalyzed dimethyl allyl(propargyl)malonate cyclization to 5-membered conjugated diene. Such reaction usually suffers from selectivity issues with homogeneous catalysts. This control over selectivity further opened the way to one-pot cascade reaction, as illustrated by the 1,6-enyne cycloisomerization–Diels–Alder reaction of dimethyl allyl propargyl malonate with maleic anhydride. The ability to assemble nanoparticles with controllable sizes and shapes within networks concerns research in sensors, medical diagnostics, information storage, and catalysis applications. Herein, the control of the synthesis of sub-2-nm gold NPs is achieved by the formation of dense networks, which are assembled in a single step reaction by employing ditopic polymantanethiols. By using 1,1′-bisadamantane-3,3′-dithiol (BAd-SH) and diamantane-4,9-dithiol (DAd-SH), serving both as bulky surface stabilizers and short-sized linkers, we provide a simple method to form uniformly small gold NPs (1.3 ± 0.2 nm to 1.6 ± 0.3 nm) embedded in rigid frameworks. These NP arrays are organized alongside short interparticular distances ranging from 1.9 to 2.7 nm. The analysis of gold NP surfaces and their modification were achieved in joint experimental and theoretical studies, using notably XPS, NMR, and DFT modeling. Our experimental studies and DFT analyses highlighted the necessary oxidative surface reorganization of individual nanoparticles for an effective enyne cycloisomerization. The modifications at bulky stabilizing ligands allow surface steric decongestion for the alkyne moiety activation but also result in network alteration by overoxidation of sulfurs. Thus, sub-2-nm nanoparticles originating from networks building create convenient conditions for generating reactive Au(I) surface single-sites—in the absence of silver additives—useful for heterogeneous gold-catalyzed enyne cyclization. These nanocatalysts, which as such ease organic products separation, also provide a convenient access for building further polycyclic complexity, owing to their high reactivity and selectivity.
Published: 2021

14. Series of charge transfer complexes obtained as crystals in a confined environment

Author: Christine Stern, Jean-Pierre Couvercelle, Yoann Rousselin, Marcel Bouvet, Rita Meunier-Prest, Bernard Malezieux, Ali Sanda Bawa, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique (CNRS), Institut Parisien de Chimie Moléculaire (IPCM), Chimie Moléculaire de Paris Centre (FR 2769), Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), and Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Hydrogen bond, Intermolecular force, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, symbols.namesake, Crystallography, chemistry, symbols, [CHIM]Chemical Sciences, Molecule, General Materials Science, Absorption (chemistry), van der Waals force, 0210 nano-technology, Benzene, Raman spectroscopy, Stoichiometry
Abstract: A series of charge transfer complexes (CTCs) were successfully formed by solvent free processing techniques, using the 1,2,4,5-tetracyano benzene (TCNB) as πA molecule and a series of p-dihydroquinones (H2Qs) as πD counterparts. Additionally to the classical co-evaporation techniques, we obtained CTCs in less than an hour, in a very simple confined environment, between two 100 μm – spaced glass plates. A systematical study by Raman spectroscopy on crystals highlighted the CTCs formation. Moreover, three new crystalline structures were obtained, namely TCNB-H2Q that crystallizes in columns connected to each other by H-bonds, while with the methoxy- and dimethoxy-H2Qs the CTC forms crystals with the stoichiometry 1 : 2, TCNB-(H2QOMe)2 and TCNB-(H2QOMe2)2. In TCNB-(H2QOMe)2 layers are formed due to intermolecular hydrogen bonds, while in TCNB-(H2QOMe2)2 molecules arrange in triads, with πA–πD interactions. In all cases, strong πA–πD interactions exist with intermolecular distances lower than the van der Waals distances, which results in strong absorption bands in the visible range.
Published: 2021

15. 2-Azabutadiene complexes of rhenium(<scp>i</scp>): S,N-chelated species with photophysical properties heavily governed by the ligand hidden traits

Author: Yoann Rousselin, Carsten Strohmann, Rodolphe Kinghat Tangou, Michael Knorr, Abderrahim Khatyr, Paul-Ludovic Karsenti, Pierre D. Harvey, Adrien Schlachter, Fabrice Guyon, Frank Juvenal, Marek M. Kubicki, Département de chimie [Sherbrooke] (UdeS), Faculté des sciences [Sherbrooke] (UdeS), Université de Sherbrooke (UdeS)-Université de Sherbrooke (UdeS), Univers, Transport, Interfaces, Nanostructures, Atmosphère et environnement, Molécules (UMR 6213) (UTINAM), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS), Technische Universität Dortmund [Dortmund] (TU), 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: 010405 organic chemistry, Ligand, chemistry.chemical_element, Crystal structure, Rhenium, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Crystallography, Thioether, chemistry, Excited state, [CHIM]Chemical Sciences, Singlet state, Phosphorescence, Trifluoromethanesulfonate
Abstract: International audience; The reaction of [Re(CO)3(THF)(μ-Br)]2 or [Re(CO)5X] (X = Cl, Br, I) with the diaryl-2-azabutadienes [(RS)2C[double bond, length as m-dash]C(H)–N[double bond, length as m-dash]CAr2] containing two thioether arms at the 4,4-position forms the luminescent S,N-chelate complexes fac-[(OC)3ReX{(RS)2C[double bond, length as m-dash]C(H)–N[double bond, length as m-dash]CAr2}] (1a–h). The halide abstraction by silver triflate converts [(OC)3ReCl{(PhS)2C[double bond, length as m-dash]C(H)–N[double bond, length as m-dash]CPh2}] (1c) to [(OC)3Re(OS([double bond, length as m-dash]O)2CF3){(PhS)2C[double bond, length as m-dash]C(H)–N[double bond, length as m-dash]CPh2}] (1j) bearing a covalently bound triflate ligand. The cyclic voltammograms reveal reversible S^N ligand-centred reduction and irreversible oxidation waves for all complexes. The crystal structures of nine octahedral complexes have been determined along with that of (NaphtylS)2C[double bond, length as m-dash]C(H)–N[double bond, length as m-dash]CPh2 (L6). A rich system of weak non-covalent intermolecular secondary interactions through CH⋯X(Cl, Br)Re, CH⋯O, CO⋯π(Ph), CH⋯πCO, CH⋯O and CH⋯S contacts has been evidenced. The photophysical properties have been investigated by steady-state and time-resolved absorption (fs transient absorption, fs-TAS) and emission (ns-TCSPC and ps-Streak camera) spectroscopy in 2-MeTHF solution at 298 and 77 K. The emission bands are composed of either singlet (450 < λmax < 535 nm) and/or triplet emissions (at 77 K only, λmax < 640 nm, or appearing as a tail at λ > 600 nm), which decay in a multiexponential manner for the fluorescence (short ps (i.e.
Published: 2021

16. Tuning of interfacial charge transport in polyporphine/phthalocyanine heterojunctions by molecular geometry control for an efficient gas sensor

Author: Marcel Bouvet, Olivier Heintz, Nada Alami Mejjati, Abhishek Kumar, Charles H. Devillers, Anna Krystianiak, Eric Lesniewska, Rita Meunier-Prest, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), and Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS)
Subjects: chemistry.chemical_classification, Materials science, General Chemical Engineering, Heterojunction, 02 engineering and technology, General Chemistry, Polymer, Conductivity, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Industrial and Manufacturing Engineering, 0104 chemical sciences, Anode, Dielectric spectroscopy, chemistry.chemical_compound, Monomer, Molecular geometry, chemistry, Chemical physics, Phthalocyanine, Environmental Chemistry, [CHIM]Chemical Sciences, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract: Owing to high interfacial conductivity, organic heterostructures hold great promises to augment the electrical performances of electronic devices. In this endeavor, the present work reports fabrication of novel polyporphine/phthalocyanine heterostructures and investigates the modulation of charge transport induced by structural change of polyporphine and its implication on ammonia sensing properties. Polyporphines materials are electrosynthesized by oxidation of zinc(II) porphine monomer that corresponds to the fully unsubstituted porphyrin. At less-positive anodic potential, low conducting meso,meso-singly-linked type-1 polymer (pZnP-1) is formed in which a monomer unit stays orthogonal to its neighbors. At higher anodic potential, monomer units are fused in the 2D plane to produce β,β-meso-meso-β,β-triply-fused type-2 polymer (pZnP-2), having a π-conjugated structure and high conductivity. Association of these polymers in organic heterojunction devices with lutetium bis-phthalocyanine (LuPc2) reveals non-linear current–voltage (I-V) characteristics typical for interfacial accumulation of charges in the heterostructure for pZnP-1 and a linear I-V behavior for pZnP-2. Characterization of these heterojunctions by impedance spectroscopy further confirms the predominance of interfacial charge transport in pZnP-1/LuPc2 which is improved with increasing bias, while largely bulk charge transport independent of bias prevails in pZnP-2/LuPc2 device. Different regimes of charge transport influence ammonia-sensing properties of the devices, such that pZnP-1/LuPc2 demonstrates highly sensitive, reversible and stable response, while pZnP-2/LuPc2 shows low and unstable response.
Published: 2022

17. Fluorogenic Enzyme-Triggered Domino Reactions Producing Quinoxalin-2(1H)-one-based Heterocycles

Author: Ibai E. Valverde, Michel Picquet, Cédric Michaudet, Kévin Renault, Quentin Bonnin, Garance Dejouy, Anthony Romieu, Arnaud Chevalier, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Institut de Chimie des Substances Naturelles (ICSN), and Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)
Subjects: chemistry.chemical_classification, Protease, [CHIM.ORGA]Chemical Sciences/Organic chemistry, 010405 organic chemistry, Chemistry, medicine.medical_treatment, Organic Chemistry, 010402 general chemistry, Biocompatible material, 01 natural sciences, Biochemistry, Combinatorial chemistry, Fluorescence, Domino, 0104 chemical sciences, Enzyme, Cascade reaction, medicine, Physical and Theoretical Chemistry
Abstract: International audience; A simple and effective biocompatible domino reaction triggered by a model protease and leading to formation of strongly fluorescent quinoxalin-2(1H)-one N-heterocycles is described. Some positive attributes including versatility and ability to provide outstanding fluorescence "OFF-ON" responses were revealed by this work. They open the way for practical applications of this novel type of "covalent-assembly" based fluorescent probes in the fields of sensing and bioimaging. Among the myriad of synthetic transformations and catalysts currently available for concise and efficient synthesis of organic molecules, bioinspired approaches based on the use of enzymes often intertwined with cascade/domino processes, occupy a special place and are receiving greater attention of late. 1 They have also contributed to the emergence of in vivo chemistry (often named as intracellular chemistry) 2 that can be defined as the use of living cells as reaction vessels and their constituents (e.g., enzymes) possibly together with abiotic metal catalysts, 3 to achieve one or several reactions for internal construction of sophisticated nano-objects from exogenous synthetic precursors. In addition to possible applications devoted to the production of high-value chemicals, one of the most striking achievements in this emerging area is undoubtedly the biocompatible "click" reaction between an aromatic nitrile (e.g., 6-amino-2-cyanoben-zothiazole (CBT)) and D-cysteine leading to D-luciferin scaffold , 4 discovered by the Rao group in 2010 (Figure 1, top). 5 Its ability to be effective for the controlled assembly of nanoparti-cles in living cells together with its possible triggering by a bio-stimulus (pH, redox status and/or hydrolytic enzymes) has fostered the emergence of cutting-edge reactivity-based sensing approaches for in vivo molecular imaging, especially through the bioluminescence modality, for addressing challenges associated to light-based diagnosis. 6 These remarkable achievements perfectly illustrate both utility and benefits of biocompatible/bioorthogonal transformations that are capable of generating a bright luminescence output signal upon the action of a biological trigger. In the field of activity-based fluorescent sensing, a new probe design principle namely the "covalent-assembly" approach, pioneered by the Swager group with the design of a "smart" semiconduc-tive polymer for fluorogenic detection of fluoride ions, 7 and next rationalized by Anslyn and Yang to address relevant biological questions, 8,9 has emerged in the mid-2000s. This cutting edge strategy is based on in situ formation of a fluorophore from a caged compound (not belonging to major classes of fluorescent dyes and, in theory at least, devoid of light emission ability) through a domino reaction triggered by the species to be detected and ideally designed to work properly in aqueous media (Figure 1, middle and bottom). Since this novel class of ac-tivatable fluorescent probes are supposed to dramatically improve signal-to-noise ratio (S/N) responses, thus providing optimal detection sensitivity, it is not really surprising that they have rapidly become popular tools for specific detection and imaging of enzyme activities (mainly, hydrolases and reduc-tases). The vast majority of "covalent-assembly" based fluorescent probes devoted to enzyme biosensing involve in situ formation of blue-green emitting (2-imino)coumarins or related fluorophores through analyte-triggered lactonization or Pinner cyclization reactions 10,11,12 even if some of these published examples are also regarded as fluorogenic probes undergoing ri-gidification of their floppy pre-existing push-pull system upon the action of the bioanalyte. 8b Our group, inspired by work of Yang et al., 13 have recently contributed to this research field by expanding the scope to longer-wavelength fluorophores belonging to the popular class of xanthene dyes (i.e., unsymmetrical pyronins with fluorescence features within the yellow-orange spectral region). 14 Some notable results were obtained with
Published: 2020

18. Dual Cherenkov Radiation-Induced Near-Infrared Luminescence Imaging and Photodynamic Therapy toward Tumor Resection

Author: Vivian Lioret, Richard A. Decréau, Pierre-Simon Bellaye, Christine Arnould, Bertrand Collin, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Centre Régional de Lutte contre le cancer Georges-François Leclerc [Dijon] (UNICANCER/CRLCC-CGFL), UNICANCER, Agroécologie [Dijon], 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)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and French Ministry Enseignement Superieur et de la Recherche Region Bourgogne-Franche-Comte DiMaCell platform for confocal microscopy studies Camille Drouet for radioactivity measurements PARI2 program 3MIM program CNRS Chaire d'Excellence European Union through the PO FEDER-FSE Bourgogne 2014/2020 program French Government ANR-10-EQPX-05-01/IMAPPI EquipexFondation de Cooperation Scientifique Bourgogne Franche-Comte Canceropole Est
Subjects: Luminescence, Light, Infrared Rays, Infrared, Phthalocyanines, medicine.medical_treatment, Bodipy, Photodynamic therapy, 01 natural sciences, Energy-transfer, Mice, 03 medical and health sciences, Optics, Unresected, Cell Line, Tumor, Quantum Dots, Drug Discovery, medicine, Animals, Cherenkov radiation, 030304 developmental biology, 0303 health sciences, Chemistry, business.industry, Optical Imaging, Cerenkov Radiation, [SDV.SP]Life Sciences [q-bio]/Pharmaceutical sciences, 0104 chemical sciences, Recognition, 010404 medicinal & biomolecular chemistry, Photochemotherapy, Bright Enough, Radiance, Nanoparticles, Molecular Medicine, Antenna (radio), Reactive Oxygen Species, business, Visible spectrum
Abstract: International audience; Cherenkov radiation (CR), the blue light seen in nuclear reactors, is emitted by some radiopharmaceuticals. This study showed that (1) a portion of CR could be transferred in the region of the optical spectrum, where biological tissues are most transparent: as a result, upon radiance amplification in the near-infrared window, the detection of light could occur twice deeper in tissues than during classical Cherenkov luminescence imaging and (2) Cherenkov-photodynamic therapy (CR-PDT) on cells could be achieved under conditions mimicking unlimited depth using the CR-embarked light source, which is unlike standard PDT, where light penetration depth is limited in biological tissues. Both results are of utmost importance for simultaneous applications in tumor resection and post-resection treatment of remaining unresected margins, thanks to a molecular construct designed to raise its light collection efficiency (i.e., CR energy transfer) by conjugation with multiple CR-absorbing (water-soluble) antenna followed by intramolecular-FRET/TBET energy transfers.
Published: 2020

19. s-Block metal scorpionates – A new sodium hydrido-tris(3,5-dimethyl-1-pyrazolyl)borate salt showing an unusual core stabilized by bridging and terminal O-bonded DMSO ligands

Author: Hélène Cattey, Laurent Plasseraud, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), and Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Tris, crystal structure, Sodium, chemistry.chemical_element, Borate salt, 010402 general chemistry, 01 natural sciences, Metal, chemistry.chemical_compound, Polymer chemistry, Materials Chemistry, [CHIM]Chemical Sciences, dmso coordination, [CHIM.COOR]Chemical Sciences/Coordination chemistry, sodium, QD1-999, ComputingMilieux_MISCELLANEOUS, hydrido-tris(3, 010405 organic chemistry, Metals and Alloys, General Chemistry, 5-dimethylpyrazol-1-yl)borate, Condensed Matter Physics, hydrido-tris(3,5-dimethylpyrazol-1-yl)borate, 0104 chemical sciences, Chemistry, chemistry, visual_art, visual_art.visual_art_medium
Abstract: Dissolution of [(μ-Me2CO)3(NaTp*)2] (1) (Tp* = hydrido-tris(3,5-dimethyl-1-pyrazolyl)borate) in DMSO at room temperature leads to the growth of colourless crystals characterized as the new salt [Na2Tp*(μ-Me2SO)3(Me2SO)3] [NaTp* 2] (2). 2 crystallized in the trigonal space group R3 with Z = 3, a = 14.1227(2) Å, b = 14.1227(10) Å, c = 33.9685(2) Å, and V = 5867.35(17) Å3. Interestingly, anion and cation of 2 both contain the Tp* ligand. Moreover, the cationic moiety highlights an unusual sodium atom hexacoordinated by six DMSO molecules acting as O-bonded ligands. Three of which exhibit a bridging coordination mode and three are in terminal position. To the best of our knowledge, the framework of [Na2Tp*(μ-Me2SO)3(Me2SO)3] is unprecedented.
Published: 2020

20. Improved performances of catalytic G-quadruplexes (G4-DNAzymes) via the chemical modifications of the DNA backbone to provide G-quadruplexes with double 3′-external G-quartets

Author: Veronica Esposito, Antonella Virgilio, Aldo Galeone, Pauline Lejault, David Monchaud, Virgilio, Antonella, Esposito, Veronica, Lejault, Pauline, Monchaud, David, Galeone, Aldo, Università degli studi di Napoli Federico II, 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: Circular dichroism, Magnetic Resonance Spectroscopy, DNAzyme, Peroxidase activity, Stereochemistry, Molecular Conformation, Deoxyribozyme, 02 engineering and technology, G-quadruplex, G-Quartets, Biochemistry, Catalysis, DNAzyme, Tetramolecular G-quadruplex, Peroxidase activity, Hemin, Cofactor, 03 medical and health sciences, chemistry.chemical_compound, Structural Biology, hemin, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], Molecular Biology, Peroxidase, 030304 developmental biology, 0303 health sciences, biology, Tetramolecular G-quadruplex, DNA, DNA, Catalytic, Hydrogen Peroxide, [CHIM.CATA]Chemical Sciences/Catalysis, General Medicine, 021001 nanoscience & nanotechnology, G-Quadruplexes, chemistry, biology.protein, Nucleic Acid Conformation, 0210 nano-technology, Hemin
Abstract: International audience; Here we report on the design of a new catalytic G-quadruplex-DNA system (G4-DNAzyme) based on the modification of the DNA scaffold to provide the DNA pre-catalyst with two identical 3'-ends, known to be more catalytically proficient than the 5'-ends. To this end, we introduced a 5'-5' inversion of polarity site in the middle of the G4-forming sequences AG 4 A and AG 6 A to obtain d(3' AGG 5'-5' GGA 3') (or AG 2-G 2 A) and d(3' AGGG 5'-5' GGGA 3') (or AG 3-G 3 A) that fold into stable G4 whose tetramolecular nature was confirmed via nuclear magnetic resonance (NMR) and circular dichroism (CD) investigations. Both AG 2-G 2 A and AG 3-G 3 A display two identical external G-quartets (3'-ends) known to interact with the cofactor hemin with a high efficiency, making the resulting complex competent to perform hemoprotein-like catalysis (G4-DNAzyme). A systematic comparison of the performances of modified and unmodified G4s lends credence to the relevance of the modification exploited here (5'-5' inversion of polarity site), which represents a new chemical opportunity to improve the overall activity of catalytic G4s.
Published: 2020

21. Highly Functionalized Ferrocenes

Author: Emmanuel Lerayer, Nejib Dwadnia, Tuan-Anh Nguyen, Julien Roger, Régine Amardeil, Léa Radal, Hélène Cattey, Jean Cyrille Hierso, Nadine Pirio, 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: Thesaurus (information retrieval), etc.). Thus, 010405 organic chemistry, Chemistry, highly functionalized ferrocenes, 010402 general chemistry, N), 01 natural sciences, B)-and (N, P), 0104 chemical sciences, Inorganic Chemistry, World Wide Web, P'), which include notably (P, (P, B), B)compounds, [CHIM.COOR]Chemical Sciences/Coordination chemistry
Abstract: International audience; Ferrocene is unique among organometallic compounds, and serves notably as a versatile platform towards the production of ligands useful to promote transition metals chemistry. A general limiting aspect of the synthesis of ferrocene derivatives is the efficient access to sophisticated highly functionalized polysubstituted ferrocenes, i. e. bearing four or more substituents replacing hydrogen atoms on the cyclopentadienyl rings. These ferrocene derivatives can bear various functional or/and structuring spectator substituents. Their preparation involves synthetic difficulties resulting from the need of multiple functionalizations coexisting altogether, and satisfying functional group compatibility and high selectivity issues. In the last decades, our group initially designed highly functionalized polyphosphines and hybrid ligands (1,1',3,3'-tetrafunctionalized Fc) using dialkylated 1,1'-tert-butylferrocene as a scaffold, which opened the way to various new classes of hybrid compounds. Some of these original ferrocenes were used as ligands, promoting metal catalysed C–C and C–X bond formation (X = O, S, N, etc.). Thus, highly functionalized ferrocenes, which include notably (P,P,P,P)-, (P,P,N,N)-, (P,P,P')-, (P,P,B)-, (P,B)- and (N,B)-compounds were developed in which the heteroatoms coexist in a close proximity on a common ferrocene platform with a controlled conformation. The present review details the concepts attached to the synthesis of these highly functionalized ferrocene species, and illustrates their main features and applications related to organometallic chemistry directed towards organic synthesis by metal catalysis.
Published: 2020

22. Aza-BODIPY Platform: Toward an Efficient Water-Soluble Bimodal Imaging Probe for MRI and Near-Infrared Fluorescence

Author: Pierre-Simon Bellaye, Olivier Maury, Célia S. Bonnet, Jacques Pliquett, Océane Florès, Bertrand Collin, Franck Denat, Sandra Même, Ewen Bodio, Laura Abad Galán, Robin Lescure, Christine Goze, Agnès Pallier, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie - UMR5182 (LC), École normale supérieure - Lyon (ENS Lyon)-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), Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre Régional de Lutte contre le cancer Georges-François Leclerc [Dijon] (UNICANCER/CRLCC-CGFL), UNICANCER, Même, Sandra, École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), ANR-16-CE07-0015,SADAM,Diagnostiquer et guérir par des agents azamacrocycliques multimodaux(2016), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-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-École normale supérieure - Lyon (ENS Lyon)-Institut de Chimie du CNRS (INC), and Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
Subjects: Aqueous solution, [SDV.IB.IMA]Life Sciences [q-bio]/Bioengineering/Imaging, 010405 organic chemistry, Singlet oxygen, Quantum yield, chemistry.chemical_element, 010402 general chemistry, Photochemistry, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Wavelength, [SDV.IB.IMA] Life Sciences [q-bio]/Bioengineering/Imaging, chemistry, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, Surface modification, Physical and Theoretical Chemistry, Absorption (chemistry), Boron, Excitation
Abstract: In this study, an original aza-BODIPY system comprising two Gd3+ complexes has been designed and synthesized for magnetic resonance imaging/optical imaging application, by functionalization of the boron center. This strategy enabled to obtain a positively-charged bimodal probe, which displays an increased water-solubility, optimized photophysical properties in the near-infrared region, and very promising relaxometric properties. The absorption and emission wavelengths are 705 and 741 nm respectively, with a quantum yield of around 10 % in aqueous media. Moreover, the system does not produce singlet oxygen upon excitation, which would be toxic for tissues. The relaxivity obtained is high at intermediate fields (16.1 mM-1.s-1 at 20 MHz and 310 K) and competes with that of bigger or more rigid systems. A full relaxometric and 17O NMR study and fitting of the data using the Lipari-Szabo approach showed that this high relaxivity can be explained by the size of the system and the presence of some small aggregates. These optimized photophysical and relaxometric properties highlight the potential use of such systems for future bimodal imaging studies.
Published: 2020

23. Regioselective C–H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins by protonation

Author: Abdou K. D. Dime, Julie Echaubard, Asmae Bousfiha, Julien Roger, Amelle Mankou-Makaya, Mathieu Berthelot, Hélène Cattey, Charles H. Devillers, Anthony Romieu, 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: Protonation, 010402 general chemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Pyridine, Polymer chemistry, Materials Chemistry, Nucleophilic substitution, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Amination, [CHIM.ORGA]Chemical Sciences/Organic chemistry, 010405 organic chemistry, Metals and Alloys, Free base, [CHIM.MATE]Chemical Sciences/Material chemistry, General Chemistry, Porphyrin, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry, Ceramics and Composites, Pyridinium, Piperidine
Abstract: Four free base aminoporphyrins were synthesized in two steps via regioselective anodic nucleophilic substitution with pyridine followed by ring opening of the electrogenerated pyridinium with piperidine. The X-ray crystallographic structure of the unstable 2-aminotetraphenylporphyrin was solved. Protonation of this latter compound leads to the stable diiminium porphyrin salt.
Published: 2020

24. Synthesis and spectral properties of 6′-triazolyl-dihydroxanthene-hemicyanine fused near-infrared dyes

Author: Jean-Alexandre Richard, Rajavel Srinivasan, Anthony Romieu, Kévin Renault, Gu Lingyue, Tianjin University (TJU), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Institute of Chemical and Engineering Sciences (ICES) (ICES), and Agency for science, technology and research [Singapore] (A*STAR)
Subjects: biology, [CHIM.ORGA]Chemical Sciences/Organic chemistry, 010405 organic chemistry, Chemistry, Spectral properties, Phosphate buffered saline, Near-infrared spectroscopy, Triazole, General Chemistry, 010402 general chemistry, Fluorescence, 01 natural sciences, Combinatorial chemistry, Catalysis, Cycloaddition, 0104 chemical sciences, chemistry.chemical_compound, Yield (chemistry), Click chemistry, Materials Chemistry, biology.protein, Triazole derivatives, Bovine serum albumin
Abstract: We describe the synthesis of a range of 6’-triazolyl-dihydroxanthene-hemicyanine (DHX-hemicyanine) fused dyes through an effective copper-catalyzed azide-alkyne cycloaddition (CuAAC) "click" reaction, with the dual aim of providing molecular diversity and fine tuning spectral properties of these near-infrared (NIR)-active materials. This was implemented by reacting 16 different aliphatic and aromatic azides with a terminal alkynyl-based-DHX-hemicyanine hybrid scaffold prepared in four steps and 35% overall yield from 4-bromosalicylaldehyde. The resulting triazole derivatives have been fully characterized and their optical properties determined both in organic solvents and simulated physiological conditions (phosphate buffered saline containing 5% of bovine serum albumin protein). This systematic study is a first important step towards the development of NIR-I fluorogenic "click-on" dyes or related photoactive agents for light-based diagnostic and/or therapeutic applications.
Published: 2020

25. Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines

Author: Julien Roger, Hélène Cattey, Clève D. Mboyi, Ahmad Daher, Neelab Khirzada, Charles H. Devillers, Jean-Cyrille Hierso, Paul Fleurat-Lessard, 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: Steric effects, [CHIM.ORGA]Chemical Sciences/Organic chemistry, 010405 organic chemistry, Hydrogen bond, Aryl, Stacking, Aromaticity, General Chemistry, 010402 general chemistry, 01 natural sciences, Catalysis, Planarity testing, 0104 chemical sciences, Crystallography, Tetrazine, chemistry.chemical_compound, chemistry, Materials Chemistry, Single crystal
Abstract: An expedient two-step synthesis produces in good yield polyaromatic heptacyclic (hetero)arylated o-substituted s-aryltetrazines (s-Tz) directly from diphenyl s-tetrazine. This methodology overcomes the steric limitations of classical Pinner-like syntheses encountered for o-functionalized s-Tz. A single step palladium-catalyzed N-directed C–H bond tetrahalogenation is followed by a Pd-catalyzed Suzuki (hetero)arylation that is achieved simultaneously on four sites. The single crystal X-ray diffraction structure of the resulting typical polyaromatic heptacyclic aromatic compound 3,6-bis(2,6-diphenyl)-1,2,4,5-tetrazine (3) is analyzed, together with R-functionalized peripheral phenyl derivatives [R = p-t-Bu (4), and m-OMe (10)]. Generally, stacking interactions between aromatic rings can be considerably stronger if electron-depleted rings are combined with electron-rich ones. Thus, electron-poor heteroaromatic aryltetrazines are expected to interact with electron-rich phenyl aromatic rings from reduced π⋯π repulsion, rendering the formation of stacking networks more favorable. Herein, despite the presence of strongly electron-deficient heteroaromatic tetrazine cores, the disruption of planarity between the various aromatic rings involved precludes the expected stacking arrangement. Thus, packing organization is driven by weak hydrogen bonding with C–H⋯N short contacts (or C–H⋯O when possible). These new heptaaromatics, which incorporate for the first time an electron-attracting nitrogen-rich core are easily modifiable from cross-coupling reactions, and constitute a relevant structural and electronical alternative to the well-known and high value class of hexaphenylbenzenes.
Published: 2020

26. True Random Number Generator Integration in a Resistive RAM Memory Array Using Input Current Limitation

Author: Hussein Bazzi, P. Canet, Hassen Aziza, Mathieu Moreau, Adnan Harb, Vincenzo Della Marca, Jérémy Postel-Pellerin, Institut des Matériaux, de Microélectronique et des Nanosciences de Provence (IM2NP), Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU), Aix Marseille Université (AMU), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Lebanese International University (LIU), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), and Academy of Performing Arts [Prague] (AMU)
Subjects: Random number generation, Computer science, stochastic switching, 02 engineering and technology, RRAM, law.invention, OxRAM, True Random Number Generator, law, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, Electrical and Electronic Engineering, Bitstream, memristor, Resistive touchscreen, business.industry, Transistor, Electrical engineering, Process (computing), 021001 nanoscience & nanotechnology, Computer Science Applications, Resistive random-access memory, NIST, TRNG, State (computer science), 0210 nano-technology, business
Abstract: International audience; A novel True Random Number Generator circuit fabricated in a 130nm HfO2-based resistive RAM process is presented. The generation of the random bit stream is based on a specific programming sequence applied to a dedicated memory array. In the proposed programming scheme, all the cells of the memory array are addressed at the same time while the current provided to the circuit is limited to program only a subset of the memory array, resulting in a stochastic distribution of cell resistance values. Some cells are switched in a low resistive state, other cells are slightly programmed to reach an intermediate resistance state, while the remaining cells maintain their initial high resistance state. Resistance values are next converted into a bit stream and confronted to National Institute of Standards and Technology (NIST) test benchmarks. The generated random bit stream has successfully passed twelve NIST tests out of fifteen. Compared to state-of-the-art resistive RAM-based true random number generators, our proposed methodology is the first one to leverage on programming current limitation at a memory array level.
Published: 2020

27. Porous materials applied to biomarker sensing in exhaled breath for monitoring and detecting non-invasive pathologies

Author: Nicolas Desbois, Claude P. Gros, Laurie André, Stéphane Brandès, 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: Materials science, Crystalline materials, Non invasive, Nanotechnology, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Highly selective, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, [CHIM.POLY]Chemical Sciences/Polymers, Breath Tests, Exhalation, Limit of Detection, Highly porous, Humans, [CHIM.COOR]Chemical Sciences/Coordination chemistry, [SDV.IB]Life Sciences [q-bio]/Bioengineering, 0210 nano-technology, Porous medium, Porosity, Biomarkers
Abstract: International audience; Overview of the use of porous materials for gas sensing to analyze the exhaled breath of patients for disease identification.The quantification of specific gases among thousand of VOCs (Volatile Organic Compounds) present in the human breath at the ppm/ppb level can be used to evidence the presence of diseases in the human body. The detection of these biomarkers in human exhaled breath through a noninvasive approach is an important field of research which is still attracting important attention to this day. A portable device working at room temperature and usable directly on exhaled breath samples is still a challenge requiring a sensing material with high performances. The rich composition of the human breath implies that the sensing material must be highly selective and sensitive (ppm/ppb) in high relative humidity (RH) conditions and preferably at room temperature. The present work intends to provide a review on recent works in this application field through the use of porous materials and discuss the interest of Metal Organic Frameworks (MOFs) for such application. MOFs are highly porous crystalline materials often used for gas detection and capture, thus raising the question of their potential for detection in exhaled breath.
Published: 2020

28. Restoring anti-sarcoma immune response through Vanin-1-mediated metabolic reprogramming

Author: Miallot, R., Millet, V., Roger, A., Fenouil, R., Charbonnier, G., Vannier, T., Tardivel, C., Grange, M., Luche, H., Martin, J. C., Shintu, L., Berchard, P., Brouilly, N., Richard, F., Souza, Lanza J., Nguyen, T. T., Galland, F., Dutour, A., Sandrine HENRI, Ugolini, S., Bertucci, F., Blay, J. Y., Naquet, P., COMBE, Isabelle, Centre d'Immunologie de Marseille - Luminy (CIML), Aix Marseille Université (AMU)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Pharmaceutique Albert Lespagnol (ICPAL), Université de Lille, Droit et Santé, Plate-forme Protéomique CLIPP - Clinical and Innovation Proteomic Platform [Dijon] (CLIPP), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Fonctions et dysfonctions épithéliales - UFC (EA 4267) (FDE), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Inconnu, Vecteurs - Infections tropicales et méditerranéennes (VITROME), Institut de Recherche pour le Développement (IRD)-Aix Marseille Université (AMU)-Institut de Recherche Biomédicale des Armées [Brétigny-sur-Orge] (IRBA), Institut Hospitalier Universitaire Méditerranée Infection (IHU Marseille), and yEFIS
Subjects: [SDV] Life Sciences [q-bio], [SDV]Life Sciences [q-bio], Immunology
Abstract: International audience
Published: 2022

29. 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

30. Synthesis, Characterization, and Encapsulation Properties of Rigid and Flexible Porphyrin Cages Assembled from N -Heterocyclic Carbene–Metal Bonds

Author: Ludivine Poyac, Clémence Rose, Mohammad Wahiduzzaman, Aurélien Lebrun, Guillaume Cazals, Charles H. Devillers, Pascal G. Yot, Sébastien Clément, Sébastien Richeter, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Laboratoire de Météorologie Physique (LaMP), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Clermont Auvergne (UCA), Laboratoire de Mesures Physiques, Université de Montpellier (UM), Institut des Biomolécules Max Mousseron [Pôle Chimie Balard] (IBMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), and Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)
Subjects: Inorganic Chemistry, 010405 organic chemistry, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, 010402 general chemistry, 01 natural sciences, ComputingMilieux_MISCELLANEOUS, 0104 chemical sciences
Abstract: International audience
Published: 2021

31. Highly efficient CO2 reduction under visible-light on non-covalent Ru⋯Re assembled photocatalyst: Evidence on the electron transfer mechanism

Author: Pengbo Lyu, Guillaume Maurin, Houssein Nasrallah, Mohamad El-Roz, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Laboratoire catalyse et spectrochimie (LCS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Institut de Chimie du CNRS (INC)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)
Subjects: 010405 organic chemistry, Chemistry, Hydrogen bond, Stacking, Quantum yield, electron transfer, 010402 general chemistry, Photochemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Artificial photosynthesis, Supramolecular assembly, Electron transfer, CO2 photoreduction, Photocatalysis, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, supramolecular assembly, Bimetallic strip, ComputingMilieux_MISCELLANEOUS
Abstract: International audience; Herein, two complexes: Pyrene modified photosensitizer (RuPy) and catalyst (ReCOPy) were synthetized and combined to form a novel bimetallic supramolecular assembly RuPy•••ReCOPy via a combination of π-π stacking and hydrogen bond interactions. This supramolecular assembly was further characterized by electrochemical and spectroscopic techniques in order to determine its redox and photochemical properties. This novel RuPy•••ReCOPy supramolecular assembly was demonstrated to display a high level of performance for the photocatalytic conversion of CO2 conversion into CO with turn over frequency and CO quantum yield much higher (TOF: 18 h-1 , ΦCO: 0.77) than the value obtained for the benchmark system Ru(bpy)3Cl2 (Ru) with Re(bpy)(CO)3Cl (ReCO) (5.3 h-1 , ΦCO : 0.38). Time resolved spectroscopy and Density Functional Theory calculations revealed that an electron transfer mechanism is at the origin of the highly photocatalytic performance of RuPy•••ReCOPy.
Published: 2021

32. Dual targeting of higher-order DNA structures by azacryptands induces DNA junction-mediated DNA damage in cancer cells

Author: Leïla Chouh, Anton Granzhan, Joanna Zell, David Monchaud, Nicolas Chéron, Katerina Duskova, Sébastien Britton, Madeleine Bossaert, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Chimie, Modélisation et Imagerie pour la Biologie [Orsay], Université Paris-Sud - Paris 11 (UP11)-Institut Curie [Paris]-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de pharmacologie et de biologie structurale (IPBS), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Processus d'Activation Sélective par Transfert d'Energie Uni-électronique ou Radiatif (UMR 8640) (PASTEUR), Département de Chimie - ENS Paris, École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Monchaud, David, Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL), and Institut Curie [Paris]-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)
Subjects: AcademicSubjects/SCI00010, DNA damage, [SDV]Life Sciences [q-bio], [CHIM.THER] Chemical Sciences/Medicinal Chemistry, Cell, Antineoplastic Agents, [SDV.CAN]Life Sciences [q-bio]/Cancer, Synthetic lethality, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Chemical Biology and Nucleic Acid Chemistry, [SDV.CAN] Life Sciences [q-bio]/Cancer, Neoplasms, Genetics, medicine, Humans, [CHIM]Chemical Sciences, 030304 developmental biology, 0303 health sciences, biology, Topoisomerase, DNA, Small molecule, In vitro, Cell biology, G-Quadruplexes, medicine.anatomical_structure, chemistry, 030220 oncology & carcinogenesis, Cancer cell, MCF-7 Cells, biology.protein, Azabicyclo Compounds, DNA Damage
Abstract: DNA is intrinsically dynamic and folds transiently into alternative higher-order structures such as G-quadruplexes (G4s) and three-way DNA junctions (TWJs). G4s and TWJs can be stabilised by small molecules (ligands) that have high chemotherapeutic potential, either as standalone DNA damaging agents or combined in synthetic lethality strategies. While previous approaches have claimed to use ligands that specifically target either G4s or TWJs, we report here on a new approach in which ligands targeting both TWJs and G4s in vitro demonstrate cellular effects distinct from that of G4 ligands, and attributable to TWJ targeting. The DNA binding modes of these new, dual TWJ-/G4-ligands were studied by a panel of in vitro methods and theoretical simulations, and their cellular properties by extensive cell-based assays. We show here that cytotoxic activity of TWJ-/G4-ligands is mitigated by the DNA damage response (DDR) and DNA topoisomerase 2 (TOP2), making them different from typical G4-ligands, and implying a pivotal role of TWJs in cells. We designed and used a clickable ligand, TrisNP-α, to provide unique insights into the TWJ landscape in cells and its modulation upon co-treatments. This wealth of data was exploited to design an efficient synthetic lethality strategy combining dual ligands with clinically relevant DDR inhibitors., Graphical Abstract Graphical AbstractSmall molecules that concomitantly target three-way DNA junctions (TWJs) and G-quadruplexes (G4s) are used here to study the landscape of alternative DNA folds and their potential as therapeutic targets to trigger DNA structure-dependent DNA damage in human cells.
Published: 2021

33. PE-CVD with organometallic precursors: contribution of aerosol assisted processes

Author: Simonnet, C, Carnide, Guillaume, Roubert, D, Stafford, L, Hierso, J, Kahn, M, Clergereaux, Richard, Sciences et Ingénierie des Plasmas Réactifs et des Arcs (LAPLACE-ScIPRA), LAboratoire PLasma et Conversion d'Energie (LAPLACE), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées, Université de Montréal (UdeM), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), and CLERGEREAUX, Richard
Subjects: [SPI.PLASMA]Engineering Sciences [physics]/Plasmas, [SPI.PLASMA] Engineering Sciences [physics]/Plasmas
Abstract: International audience; PE-CVD is widely used to deposit inorganic thin films. For example, a lot of different precursors (TEOS, HMDSO, HMDS, TMS, etc.) has been used for organosilicon or silica-like coatings. In contrast, only few studies are using organometallic precursors. Indeed, such molecules are generally unstable, pyrophoric and highly reactive with air and/or oxygen. Aerosol-assisted processes are able to avoid these problems. Indeed, diluted in organic solvents, it enables to inject droplets of organometallic precursor charged liquids. This contribution aims to report first results obtained with nickel-or zinc-based organometallic precursors. Using a pulsed injection of the liquid solution, it enables to deposit DLC matrices doped with Ni or Zn. Depending on the aerosol composition, the plasma behaviours as well as the film structures and properties will be discussed.
Published: 2021

34. The Hydrogen‐Storage Challenge: Nanoparticles for Metal‐Catalyzed Ammonia Borane Dehydrogenation

Author: Julien Roger, Myrtil L. Kahn, Didier Poinsot, Clève D. Mboyi, Jean-Cyrille Hierso, Katia Fajerwerg, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Hydrogen, Ammonia borane, chemistry.chemical_element, Context (language use), 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Catalysis, Biomaterials, Hydrogen storage, chemistry.chemical_compound, Transition metal, Ammonia, Metal resources, General Materials Science, Dehydrogenation, Recycling, Boranes, Hydrogen evolution, Nanosynthesis, General Chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Chemical engineering, chemistry, Nanocatalyst, Nanoparticles, Solvolysis, 0210 nano-technology, Biotechnology
Abstract: International audience; Dihydrogen is one of the sustainable energy vectors envisioned for the future. However, the rapidly reversible and secure storage of large quantities of hydrogen is still a technological and scientific challenge. In this context, this review proposes a recent state-of-the-art on H 2 production capacities from the dehydrogenation reaction of ammonia borane (and selected related amine-boranes) as a safer solid-source of H 2 by hydrolysis (or solvolysis), according to the different developed nanoparticle-based catalysts. The review groups the results according to the transition metals constituting the catalyst according a special view to current cost/availability consideration. This includes the noble metals Rh, Pd, Pt, Ru, Ag, as well as transition metals such as Co, Ni, Cu, and Fe. For each element, the monometallic and polymetallic structures, isolated or supported, are presented and the performances described in terms of TOF and recyclability. The structure-property links are highlighted whenever possible. It appears from all these works that the mastery of the preparation of catalysts remains a crucial point; not only in terms of process but also in terms of mastery of the electronic structures of the elaborated nanomaterials. A particular effort of the scientific community remains to be made in this multidisciplinary field with major societal stakes.
Published: 2021

35. Identifying G-Quadruplex-DNA-Disrupting Small Molecules

Author: Alexandra Joubert, Pauline Lejault, Anton Granzhan, Julien Boudon, Jean-Baptiste Boulé, Jeremie Mitteaux, Filip Wojciechowski, Robert H. E. Hudson, Claude P. Gros, David Monchaud, Nicolas Desbois, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), University of Western Ontario (UWO), Structure et Instabilité des Génomes (STRING), Muséum national d'Histoire naturelle (MNHN)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), Chimie, Modélisation et Imagerie pour la Biologie [Orsay], Université Paris-Sud - Paris 11 (UP11)-Institut Curie [Paris]-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), and Monchaud, David
Subjects: Chemical biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, Computational biology, 010402 general chemistry, G-quadruplex, [SDV.BBM.BM] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, Ligands, 01 natural sciences, Biochemistry, Catalysis, Small Molecule Libraries, 03 medical and health sciences, chemistry.chemical_compound, Colloid and Surface Chemistry, Humans, 030304 developmental biology, 0303 health sciences, biology, Molecular Structure, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, In vitro toxicology, [SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, General Chemistry, DNA, biology.organism_classification, [CHIM.ORGA] Chemical Sciences/Organic chemistry, Small molecule, In vitro, 0104 chemical sciences, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, G-Quadruplexes, genomic DNA, Schizosaccharomyces pombe
Abstract: International audience; The quest for small molecules that strongly bind to Gquadruplex-DNA (G4), so-called G4 ligands, has invigorated the G4 research field from its very inception. Massive efforts have been invested to discover or rationally design G4 ligands, evaluate their G4interacting properties in vitro through a series of now widely accepted and routinely implemented assays, and use them as innovative chemical biology tools to interrogate cellular networks that might involve G4s. In sharp contrast, only uncoordinated efforts aimed at developing small molecules that destabilize G4s have been invested to date, even though it is now recognized that such molecular tools would have tremendous application in neurobiology as many genetic and age-related diseases are caused by an overrepresentation of G4s. Herein, we report on our efforts to develop in vitro assays to reliably identify molecules able to destabilize G4s. This workflow comprises the newly designed G4-unfold assay, adapted from the G4-helicase assay implemented with Pif1, as well as a series of biophysical and biochemical techniques classically used to study G4/ligand interactions (CD, UV−vis, PAGE, and FRET-melting), and a qPCR stop assay, adapted from a Taq-based protocol recently used to identify G4s in the genomic DNA of Schizosaccharomyces pombe. This unique, multipronged approach leads to the characterization of a phenylpyrrolocytosine (PhpC)-based G-clamp analog as a prototype of G4disrupting small molecule whose properties are validated through many different and complementary in vitro evaluations.
Published: 2021

36. G-quadruplexes mark alternative lengthening of telomeres

Author: Stephen Yip, Sunny Y. Yang, Judy M. Y. Wong, Joanne Lim, Peter C. Stirling, Emily Yun-Chia Chang, David Monchaud, Harwood H Kwan, 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: 0301 basic medicine, AcademicSubjects/SCI01140, AcademicSubjects/SCI01060, DNA damage, AcademicSubjects/SCI00030, [SDV.CAN]Life Sciences [q-bio]/Cancer, Standard Article, Biology, G-quadruplex, AcademicSubjects/SCI01180, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Nucleic acid structure, Cytotoxicity, RNA, General Medicine, 3. Good health, Telomere, 030104 developmental biology, chemistry, [SDV.GEN.GH]Life Sciences [q-bio]/Genetics/Human genetics, 030220 oncology & carcinogenesis, Nucleic acid, Cancer research, AcademicSubjects/SCI00980, DNA
Abstract: About 10–15% of all human cancer cells employ a telomerase-independent recombination-based telomere maintenance method, known as alternative lengthening of telomere (ALT), of which the full mechanism remains incompletely understood. While implicated in previous studies as the initiating signals for ALT telomere repair, the prevalence of non-canonical nucleic acid structures in ALT cancers remains unclear. Extending earlier reports, we observe higher levels of DNA/RNA hybrids (R-loops) in ALT-positive (ALT+) compared to telomerase-positive (TERT+) cells. Strikingly, we observe even more pronounced differences for an associated four-stranded nucleic acid structure, G-quadruplex (G4). G4 signals are found at the telomere and are broadly associated with telomere length and accompanied by DNA damage markers. We establish an interdependent relationship between ALT-associated G4s and R-loops and confirm that these two structures can be spatially linked into unique structures, G-loops, at the telomere. Additionally, stabilization of G4s and R-loops cooperatively enhances ALT-activity. However, co-stabilization at higher doses resulted in cytotoxicity in a synergistic manner. Nuclear G4 signals are significantly and reproducibly different between ALT+ and TERT+ low-grade glioma tumours. Together, we present G4 as a novel hallmark of ALT cancers with potential future applications as a convenient biomarker for identifying ALT+ tumours and as therapeutic targets., Graphical Abstract Graphical abstractALT+ cells promote a telomeric environment that leads to increased formation of G-quadruplexes and R-loops. Co-formation of G-quadruplexes and R-loops results in special structures, G-loops, which are postulated to facilitate the ALT recombination process.
Published: 2021

37. SAW based CO2 sensor: influence of functionalizing MOF crystal size on the sensor's selectivity

Author: Vanotti, Meddy, Poisson, Sacha, Blondeau-Patissier, Virginie, André, Laurie, Brandès, Stéphane, Desbois, Nicolas, Gros, Claude P, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), and Femto-st, Temps-fréquence
Subjects: [SPI.OTHER]Engineering Sciences [physics]/Other, [SPI.OTHER] Engineering Sciences [physics]/Other
Abstract: International audience; The potential impact of indoor air quality on human health has become an increasingly important topic of public health and, thus, has stimulated an interest in hazardous compounds survey such as carbon dioxide. To address this issue, we started the development of a Surface Acoustic Wave device functionalized with metal-organic framework for the selective detection of carbon dioxide. Here, we propose preliminary results on the influence of the size of the metal-organic framework crystals on the sensor’s selectivity and on its evolution with the ageing of the sensor
Published: 2021

38. Porous Organic Polymers (POPs) based on cobalt corroles for the detection of carbon monoxide

Author: Brandès, Stéphane, Quesneau, Valentin, Yang, Jian, Desbois, Nicolas, Vanotti, Meddy, Blondeau-Patissier, Virginie, Gros, Claude P, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), and Femto-st, Temps-fréquence
Subjects: [SPI.OTHER]Engineering Sciences [physics]/Other, [SPI.OTHER] Engineering Sciences [physics]/Other
Abstract: International audience; Detection of carbon monoxide (CO) at few ppm levels is a critical point for quality control of domestic and
Published: 2021

39. Organotin(IV) selenate derivatives – Crystal structure of [{(Ph 3 Sn) 2 SeO 4 } ⋅ CH 3 OH] n

Author: Waly Diallo, Laurent Plasseraud, Hélène Cattey, Laboratoire de Chimie Minérale et Analytique, Université Cheikh Anta Diop, Université Cheikh Anta Diop [Dakar, Sénégal] (UCAD), 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: crystal structure, 010405 organic chemistry, Metals and Alloys, General Chemistry, Crystal structure, organotin(iv), 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Selenate, 3. Good health, 0104 chemical sciences, chemistry.chemical_compound, Crystallography, Chemistry, chemistry, Materials Chemistry, inorganic chain, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, [CHIM.COOR]Chemical Sciences/Coordination chemistry, selenium, sn-o-se moiety, QD1-999
Abstract: Crystallization of [(Ph3Sn)2SeO4] ⋅ 1.5H2O in methanol leads to the formation of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n (1) which constitutes a new specimen of organotin(IV) selenate derivatives. In the solid state, complex 1 is arranged in polymeric zig-zag chains, composed of alternating Ph3Sn and SeO4 groups. In addition, pendant Ph3Sn ⋅ CH3OH moieties are branched along chains according to a syndiotactic organization and via Sn-O-Se connections. From a supramolecular point of view, intermolecular hydrogen bonds established between the selenate groups (uncoordinated oxygen) and the hydroxyl functions (CH3OH) of the pendant groups link the chains together.
Published: 2021

40. Antioxidant Properties of Ergosterol and Its Role in Yeast Resistance to Oxidation

Author: Céline Lafarge, Odonírio Abrahão Júnior, Patricia Gerbeau-Pissot, Cédric Grangeteau, Sébastien Dupont, Patrick Gervais, Richtier Gonçalves da Cruz, Fairouz Yahou, Paul Fleurat-Lessard, Françoise Simon-Plas, Laurent Beney, Philippe Cayot, Procédés Microbiologiques et Biotechnologiques (PMB), Procédés Alimentaires et Microbiologiques (PAM), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Procédés Alimentaires et Microbiologiques [Dijon] (PAM), 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)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Procédés Alimentaires et Microbiologiques [Dijon] (PAM), 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, Escola Superior de Agricultura 'Luiz de Queiroz' (ESALQ), Universidade de São Paulo (USP), Agroécologie [Dijon], 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)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Universidade Federal do Triângulo Mineiro [Uberaba, Brazil] (UFTM), Physico-Chimie de l'Aliment et du Vin (PCAV), 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: 0301 basic medicine, Antioxidant, antioxidant, Physiology, oxidation, In silico, medicine.medical_treatment, Clinical Biochemistry, Oxidative phosphorylation, RM1-950, yeast, 010402 general chemistry, plasma membrane, 01 natural sciences, Biochemistry, Article, lipids, 03 medical and health sciences, chemistry.chemical_compound, sterol, In vivo, [SDV.IDA]Life Sciences [q-bio]/Food engineering, medicine, polycyclic compounds, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Molecular Biology, OXIDAÇÃO, Ergosterol, Chemistry, Cell Biology, Sterol, In vitro, Yeast, 0104 chemical sciences, 030104 developmental biology, lipids (amino acids, peptides, and proteins), Therapeutics. Pharmacology
Abstract: International audience; Although the functions and structural roles of sterols have been the subject of numerous studies, the reasons for the diversity of sterols in the different eukaryotic kingdoms remain unclear. It is thought that the specificity of sterols is linked to unidentified supplementary functions that could enable organisms to be better adapted to their environment. Ergosterol is accumulated by late branching fungi that encounter oxidative perturbations in their interfacial habitats. Here, we investigated the antioxidant properties of ergosterol using in vivo, in vitro, and in silico approaches. The results showed that ergosterol is involved in yeast resistance to tert-butyl hydroperoxide and protects lipids against oxidation in liposomes. A computational study based on quantum chemistry revealed that this protection could be related to its antioxidant properties operating through an electron transfer followed by a proton transfer mechanism. This study demonstrates the antioxidant role of ergosterol and proposes knowledge elements to explain the specific accumulation of this sterol in late branching fungi. Ergosterol, as a natural antioxidant molecule, could also play a role in the incompletely understood beneficial effects of some mushrooms on health.
Published: 2021

41. Positron Emission Tomography Imaging of Neurotensin Receptor-Positive Tumors with 68 Ga-Labeled Antagonists: The Chelate Makes the Difference Again

Author: Mélanie Guillemin, Pierre-Simon Bellaye, Franck Denat, Aurélie Prignon, Victor Goncalves, Emma Renard, Mathieu Moreau, Bertrand Collin, 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: 0303 health sciences, Biodistribution, Neurotensin receptor 1, medicine.diagnostic_test, Chemistry, medicine.disease, 3. Good health, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Positron emission tomography, In vivo, 030220 oncology & carcinogenesis, Drug Discovery, medicine, Cancer research, [INFO.INFO-IM]Computer Science [cs]/Medical Imaging, Molecular Medicine, Adenocarcinoma, [CHIM]Chemical Sciences, Neurotensin receptor, Receptor, ComputingMilieux_MISCELLANEOUS, 030304 developmental biology, Neurotensin
Abstract: Neurotensin receptor 1 (NTS1) is involved in the development and progression of numerous cancers, which makes it an interesting target for the development of diagnostic and therapeutic agents. A small molecule NTS1 antagonist, named [177Lu]Lu-IPN01087, is currently evaluated in phase I/II clinical trials for the targeted therapy of neurotensin receptor-positive cancers. In this study, we synthesized seven compounds based on the structure of NTS1 antagonists, bearing different chelating agents, and radiolabeled them with gallium-68 for PET imaging. These compounds were evaluated in vitro and in vivo in mice bearing a HT-29 xenograft. The compound [68Ga]Ga-bisNODAGA-16 showed a promising biodistribution profile with mainly signal in tumor (4.917 ± 0.776%ID/g, 2 h post-injection). Its rapid clearance from healthy tissues led to high tumor-to-organ ratios, resulting in highly contrasted PET images. These results were confirmed on subcutaneous xenografts of AsPC-1 tumor cells, a model of NTS1-positive human pancreatic adenocarcinoma.
Published: 2021

42. The ‘Shellome’ of the Crocus Clam Tridacna crocea Emphasizes Essential Components of Mollusk Shell Biomineralization

Author: Ryo Koyanagi, Laurent Plasseraud, Noriyuki Satoh, Nicolas Brosse, Frédéric Marin, Isabelle Ziegler-Devin, Takeshi Takeuchi, Cédric Broussard, Manabu Fujie, Okinawa Institute of Science and Technology Graduate University, Université de Bourgogne (UB), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Etude et de Recherche sur le Matériau Bois (LERMAB), Université de Lorraine (UL), Faculté des Sciences et Technologies [Université de Lorraine] (FST ), Institut Cochin (IC UM3 (UMR 8104 / U1016)), Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Biogéosciences [UMR 6282] (BGS), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Study supported by internal funds from the Okinawa Institute of Science and Technology (OIST), and complementary funds obtained via annual recurrent budget of UMR CNRS Biogeosciences, Dijon., brosse, nicolas, Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Biogéosciences [UMR 6282] [Dijon] (BGS), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS), Marine Genomics Unit, Okinawa Institute of Science and Technology Graduate University (OIST), DNA Sequencing Section, Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB), Plateforme protéomique 3P5 [Institut Cochin] (3P5), Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), and Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement
Subjects: 0301 basic medicine, [CHIM.POLY] Chemical Sciences/Polymers, [SPI.GPROC] Engineering Sciences [physics]/Chemical and Process Engineering, proteome, Tridacna crocea, JAPANESE PEARL OYSTER, QH426-470, [SPI.MAT] Engineering Sciences [physics]/Materials, [SPI.MAT]Engineering Sciences [physics]/Materials, 03 medical and health sciences, [SDV.BBM.GTP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], Genetics, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 14. Life underwater, Mollusca, Genetics (clinical), Original Research, 030102 biochemistry & molecular biology, biology, [CHIM.ORGA]Chemical Sciences/Organic chemistry, fungi, biology.organism_classification, Bivalvia, biomineralization, [CHIM.ORGA] Chemical Sciences/Organic chemistry, Tridacna, Pteriomorphia, Mytilus, 030104 developmental biology, [CHIM.POLY]Chemical Sciences/Polymers, Evolutionary biology, Proteome, Molecular Medicine, shell formation, Heterodonta, transcriptome, Biomineralization
Abstract: Molluscan shells are among the most fascinating research objects because of their diverse morphologies and textures. The formation of these delicate biomineralized structures is a matrix-mediated process. A question that arises is what are the essential components required to build these exoskeletons. In order to understand the molecular mechanisms of molluscan shell formation, it is crucial to identify organic macromolecules in different shells from diverse taxa. In the case of bivalves, however, taxon sampling in previous shell proteomics studies are focused predominantly on representatives of the class Pteriomorphia such as pearl oysters, edible oysters and mussels. In this study, we have characterized the shell organic matrix from the crocus clam, Tridacna crocea, (Heterodonta) using various biochemical techniques, including SDS-PAGE, FT-IR, monosaccharide analysis, and enzyme-linked lectin assay (ELLA). Furthermore, we have identified a number of shell matrix proteins (SMPs) using a comprehensive proteomics approach combined to RNA-seq. The biochemical studies confirmed the presence of proteins, polysaccharides, and sulfates in the T. crocea shell organic matrix. Proteomics analysis revealed that the majority of the T. crocea SMPs are novel and dissimilar to known SMPs identified from the other bivalve species. Meanwhile, the SMP repertoire of the crocus clam also includes proteins with conserved functional domains such as chitin-binding domain, VWA domain, and protease inhibitor domain. We also identified BMSP (Blue Mussel Shell Protein, originally reported from Mytilus), which is widely distributed among molluscan shell matrix proteins. Tridacna SMPs also include low-complexity regions (LCRs) that are absent in the other molluscan genomes, indicating that these genes may have evolved in specific lineage. These results highlight the diversity of the organic molecules – in particular proteins – that are essential for molluscan shell formation.
Published: 2021

43. The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair

Author: Julien Pilmé, Paul Fleurat-Lessard, Johanna Klein, Laboratoire de chimie théorique (LCT), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-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: Models, Molecular, ELFx, Base pair, Guanine, Pharmaceutical Science, Organic chemistry, Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid, 010402 general chemistry, 01 natural sciences, Article, Analytical Chemistry, chemistry.chemical_compound, QD241-441, Nucleophile, base pair, 0103 physical sciences, Drug Discovery, [CHIM]Chemical Sciences, guanine, Physical and Theoretical Chemistry, cytosine, hydrogen bond, 010304 chemical physics, Hydrogen bond, Hydrogen Bonding, DNA, 0104 chemical sciences, ELF x, electrophilic, Crystallography, ELF, chemistry, Chemistry (miscellaneous), Electrophile, Molecular Medicine, Nucleic Acid Conformation, Cytosine, nucleophilic
Abstract: International audience; In this contribution, we recall and test a new methodology designed to identify the favorable reaction pathway between two reactants. Applied to the formation of the DNA guanine (G) –cytosine (C) pair, we successfully predict the best orientation between the base pairs held together by hydrogen bonds and leading to the formation of the typical Watson Crick structure of the GC pair. Beyond the global minimum, some local stationary points of the targeted pair are also clearly identified.
Published: 2021

44. Nanofitins targeting heat shock protein 110: an innovative immunotherapeutic modality in cancer

Author: Mathieu Moreau, Olivier Kitten, Alexandre M.M. Dias, Renaud Seigneuric, Jessica Gobbo, François Hermetet, Fabrice Neiers, Pierre-Simon Bellaye, Bertrand Collin, Lucile Dondaine, Guillaume Marcion, Mathieu Cinier, Loïc Briand, Laurène Da Costa, Burhan Uyanik, Carmen Garrido, Lipides - Nutrition - Cancer [Dijon - U1231] (LNC), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Santé et de la Recherche Médicale (INSERM), Université Bourgogne Franche-Comté [COMUE] (UBFC), Centre des Sciences du Goût et de l'Alimentation [Dijon] (CSGA), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Centre Régional de Lutte contre le cancer Georges-François Leclerc [Dijon] (UNICANCER/CRLCC-CGFL), UNICANCER, Affilogic SAS, French National Research Agency under the program 'Investissements d’Avenir, the Institut National du Cancer, and the Conseil Régional de Bourgogne., ANR-11-LABX-0021,Lipstic,Lipoprotéines et santé : prévention et traitement des maladies inflammatoires non vasculaires et du(2011), and ANR-15-IDEX-0003,BFC,ISITE ' BFC(2015)
Subjects: Cancer Research, Mice, 03 medical and health sciences, Lymphocytes, Tumor-Infiltrating, 0302 clinical medicine, Immune system, Peptide Library, In vivo, Cell Line, Tumor, Heat shock protein, Tumor Microenvironment, medicine, Animals, Humans, Cytotoxic T cell, HSP110 Heat-Shock Proteins, small peptide molecules, Tumor microenvironment, anticancer targeted therapy, biology, Chemistry, Macrophages, Cancer, [SDV.SP]Life Sciences [q-bio]/Pharmaceutical sciences, medicine.disease, Xenograft Model Antitumor Assays, Peptide Fragments, In vitro, 3. Good health, Nanofitins, Oncology, Positron-Emission Tomography, 030220 oncology & carcinogenesis, biology.protein, Cancer research, Female, Antibody, Colorectal Neoplasms, HSP110
Abstract: The presence of an inactivating heat shock protein 110 (HSP110) mutation in colorectal cancers has been correlated with an excellent prognosis and with the ability of HSP110 to favor the formation of tolerogenic (M2-like) macrophages. These clinical and experimental results suggest a potentially powerful new strategy against colorectal cancer: the inhibition of HSP110. In this work, as an alternative to neutralizing antibodies, Nanofitins (scaffold ~7 kDa proteins) targeting HSP110 were isolated from the screening of a synthetic Nanofitin library, and their capacity to bind (immunoprecipitation, biolayer interferometry) and to inhibit HSP110 was analyzed in vitro and in vivo. Three Nanofitins were found to inhibit HSP110 chaperone activity. Interestingly, they share a high degree of homology in their variable domain and target the peptide-binding domain of HSP110. In vitro, they inhibited the ability of HSP110 to favor M2-like macrophages. The Nanofitin with the highest affinity, A-C2, was studied in the CT26 colorectal cancer mice model. Our PET/scan experiments demonstrate that A-C2 may be localized within the tumor area, in accordance with the reported HSP110 abundance in the tumor microenvironment. A-C2 treatment reduced tumor growth and was associated with an increase in immune cells infiltrating the tumor and particularly cytotoxic macrophages. These results were confirmed in a chicken chorioallantoic membrane tumor model. Finally, we showed the complementarity between A-C2 and an anti-PD-L1 strategy in the in vivo and in ovo tumor models. Overall, Nanofitins appear to be promising new immunotherapeutic lead compounds.
Published: 2021

45. Coordination Chemistry of a Bis(Tetrazine) Tweezer: A Case of Host-Guest Behavior with Silver Salts

Author: Jean-Cyrille Hierso, Michel Meyer, Hélène Cattey, Charles H. Devillers, Paul Fleurat-Lessard, Taoufik Boubaker, Clève D. Mboyi, Ons Amamou, Julien Roger, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire de Chimie Hétérocyclique, Produits Naturels et Réactivité [Monastir] (CHPNR), Département de Chimie [Monastir], Faculté des Sciences de Monastir (FSM), Université de Monastir - University of Monastir (UM)-Université de Monastir - University of Monastir (UM)-Faculté des Sciences de Monastir (FSM), and Université de Monastir - University of Monastir (UM)-Université de Monastir - University of Monastir (UM)
Subjects: analytical_chemistry, coordination, Absorption spectroscopy, Pharmaceutical Science, Crystal structure, 010402 general chemistry, Electrochemistry, ligand, 01 natural sciences, Article, XRD structure, Analytical Chemistry, Coordination complex, Tetrazine, chemistry.chemical_compound, QD241-441, bis(tetrazine), Drug Discovery, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM.COOR]Chemical Sciences/Coordination chemistry, silver, Physical and Theoretical Chemistry, host-guest, chemistry.chemical_classification, 010405 organic chemistry, Ligand, Organic Chemistry, Cationic polymerization, 0104 chemical sciences, Crystallography, chemistry, Chemistry (miscellaneous), Molecular Medicine, Stoichiometry
Abstract: The carbon-carbon cross-coupling of phenyl s-tetrazine (Tz) units at their ortho-phenyl positions allows the formation of constrained bis(tetrazines) with original tweezer structures. In these compounds, the face-to-face positioning of the central tetrazine cores is reinforced by π-stacking of the electron-poor nitrogen-containing heteroaromatic moieties. The resulting tetra-aromatic structure can be used as a weak coordinating ligand with cationic silver. This coordination generates a set of bis(tetrazine)-silver(I) coordination complexes tolerating a large variety of counter anions of various geometries, namely, PF6−, BF4−, SbF6−, ClO4−, NTf2−, and OTf−. These compounds were characterized in the solid state by single-crystal X-ray diffraction (XRD) and diffuse reflectance spectroscopy, and in solution by 1H-NMR, mass spectrometry, electroanalysis, and UV-visible absorption spectrophotometry. The X-ray crystal structure of complexes {[Ag(3)][PF6]}∞ (4) and {[Ag(3)][SbF6]}∞ (6), where 3 is 3,3′-[(1,1′-biphenyl)-2,2′-diyl]-6,6′-bis(phenyl)-1,2,4,5-tetrazine, revealed the formation of 1D polymeric chains, characterized by an evolution to a large opening of the original tweezer and a coordination of silver(I) via two chelating nitrogen atom and some C=C π-interactions. Electrochemical and UV spectroscopic properties of the original tweezer and of the corresponding silver complexes are reported and compared. 1H-NMR titrations with AgNTf2 allowed the determination of the stoichiometry and apparent stability of two solution species, namely [Ag(3)]+ and [Ag(3)2]2+, that formed in CDCl3/CD3OD 2:1 v/v mixtures.
Published: 2021

46. ENANTIOSELECTIVE REDUCTION OF PROCHIRAL KETONES PROMOTED BY AMINO AMIDE RUTHENIUM COMPLEXES: A DFT STUDY

Author: Y. Meftah, Paul Fleurat-Lessard, Y. Boumedjane, Carine Michel, Françoise Delbecq, Ecole Normale Supérieure de Boussaada, Université Mohamed Kheider Biskra, Algérie, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Laboratoire de Chimie - UMR5182 (LC), Centre National de la Recherche Scientifique (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 Mohamed Khider de Biskra (BISKRA), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), École normale supérieure de Lyon (ENS de Lyon)-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: Amidoamide Ruthenium Catalyst, Enantioselective Reduction, Substituent, chemistry.chemical_element, Conformers, 010402 general chemistry, Transfer hydrogenation, 01 natural sciences, Biochemistry, DFT, Catalysis, Inorganic Chemistry, chemistry.chemical_compound, Computational chemistry, Materials Chemistry, Phenyl group, Physical and Theoretical Chemistry, Enantiomeric excess, 010405 organic chemistry, Organic Chemistry, Enantioselective synthesis, 3. Good health, 0104 chemical sciences, Ruthenium, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry, Mechanism, Acetophenone
Abstract: International audience; The origin of enantioselectivity in the reaction of chiral Ru amino amide complexes in the asymmetric transfer hydrogenation of acetophenone was investigated using DFT calculations. For the most stable active catalysts, the full free energy profiles for the reaction were calculated according to the concerted hydrogen transfer mechanism. We succeeded in reproducing the experimentally observed enantioselectivity for the studied Ru amino amide complexes. Our results indicate that the high enantioselectivity can be explained by a stabilizing CH-π interaction existing between the phenyl group of acetophenone and the aromatic substituent of the catalyst, which plays a significant role in selectivity. Finally, our results show that important insights can be obtained with such a theoretical approach not simply to explain the origin of the reaction asymmetry but also to predict the enantiomeric excess. This can help experimentalists to design new enantioselective catalysts.
Published: 2021

47. Diamondoid Nanostructures as sp 3 ‐Carbon‐Based Gas Sensors

Author: Oana Moncea, Juan Casanova‐Chafer, Didier Poinsot, Lukas Ochmann, Clève D. Mboyi, Houssein O. Nasrallah, Eduard Llobet, Imen Makni, Molka El Atrous, Stéphane Brandès, Yoann Rousselin, Bruno Domenichini, Nicolas Nuns, Andrey A. Fokin, Peter R. Schreiner, Jean‐Cyrille Hierso, Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), MINOS-EMaS, Electronic Engineering Department, Universitat Rovira i Virgili, Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Centrale Lille Institut (CLIL)-Université d'Artois (UA)-Centrale Lille-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Lille, Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), and Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)
Subjects: 010405 organic chemistry, [CHIM]Chemical Sciences, 02 engineering and technology, General Medicine, 021001 nanoscience & nanotechnology, 0210 nano-technology, 01 natural sciences, 0104 chemical sciences
Abstract: International audience; Diamondoids, sp3-hybridized nanometer-sized diamond-like hydrocarbons (nanodiamonds), difunctionalized with hydroxyl and primary phosphine oxide groups enable the assembly of the first sp3-C-based chemical sensors by vapor deposition. Both pristine nanodiamonds and palladium nanolayered composites can be used to detect toxic NO2 and NH3 gases. This carbon-based gas sensor technology allows reversible NO2 detection down to 50 ppb and NH3 detection at 25–100 ppm concentration with fast response and recovery processes at 100 °C. Reversible gas adsorption and detection is compatible with 50% humidity conditions. Semiconducting p-type sensing properties are achieved from devices based on primary phosphine-diamantanol, in which high specific area (ca. 140 m2 g–1) and channel nanoporosity derive from H-bonding.
Published: 2019

48. Long-term oncological outcomes of cystic renal cell carcinoma according to the Bosniak classification

Author: J. Lefrancq, S. Chelly, C. Dariane, S. Chkir, Pierre Bigot, A. Giwerc, Laurence Albiges, C. Bernhard, Idir Ouzaid, Z-E. Khene, T. Bodin, François-Xavier Nouhaud, F. Hetet, Nathalie Rioux-Leclercq, A. Long, Romain Boissier, C. Allenet, Jean-Michel Correas, P. Gimel, Arnaud Mejean, Karim Bensalah, Nutriments Lipidiques et Prévention des Maladies Métaboliques, Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de la Recherche Agronomique (INRA)-Université de la Méditerranée - Aix-Marseille 2, CHU Rouen, Normandie Université (NU), CHU Pontchaillou [Rennes], Centre de Médecine Générale Avicenne [Cabestany], Institut de recherche en santé, environnement et travail (Irset), Université d'Angers (UA)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-École des Hautes Études en Santé Publique [EHESP] (EHESP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique ), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Gestes Medico-chirurgicaux Assistés par Ordinateur (TIMC-IMAG-GMCAO), Techniques de l'Ingénierie Médicale et de la Complexité - Informatique, Mathématiques et Applications, Grenoble - UMR 5525 (TIMC-IMAG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-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)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-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)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Institut de Génétique et Développement de Rennes (IGDR), Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique )-Centre National de la Recherche Scientifique (CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES), Université de la Méditerranée - Aix-Marseille 2-Institut National de la Recherche Agronomique (INRA)-Institut National de la Santé et de la Recherche Médicale (INSERM), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-IMAG-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-IMAG-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique ), Université d'Angers (UA)-Université de Rennes (UR)-École des Hautes Études en Santé Publique [EHESP] (EHESP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique ), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS)-Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique )
Subjects: Adult, Male, Nephrology, medicine.medical_specialty, Time Factors, [SDV]Life Sciences [q-bio], Urology, medicine.medical_treatment, Population, 030232 urology & nephrology, 030204 cardiovascular system & hematology, Nephrectomy, Disease-Free Survival, 03 medical and health sciences, 0302 clinical medicine, Renal cell carcinoma, Internal medicine, medicine, Humans, Stage (cooking), 10. No inequality, education, Laparoscopy, Carcinoma, Renal Cell, Pathological, ComputingMilieux_MISCELLANEOUS, Aged, Retrospective Studies, Aged, 80 and over, education.field_of_study, medicine.diagnostic_test, business.industry, Retrospective cohort study, Middle Aged, Prognosis, medicine.disease, Kidney Neoplasms, 3. Good health, Treatment Outcome, Female, business, Bosniak, Complex renal cyst
Abstract: To evaluate the prognostic role of the Bosniak classification on the long-term oncological outcomes of cystic renal cell carcinomas. In a national multicentric retrospective study, we included patients treated surgically for localized cystic RCC from 2000 to 2010. Patients with a follow-up of less than 4 years, benign tumors, and ablative treatments were excluded. The primary outcome was disease-free survival. 152 patients met the inclusion criteria: Bosniak II (6%), III (53%), IV (41%), with a median follow-up of 61 (12–179) months. Characteristics of the population and the tumors were [median, (min–max)] age 57 (25–84) years old, tumor size 43 mm (20–280), RENAL score 7 (4–12), PADUA score 8 (5–14). Treatments were 55% partial nephrectomy, 45% radical nephrectomy, 74% open surgery, and 26% laparoscopy. In pathological report, cystic RCC were mainly of low grade (1–2, 77%) and low stage (pT1, 81%). The two main histological subtypes were conventional (56%) and papillary (23%) RCC. Staging at presentation and histological characteristics were similar between Bosniak III and IV, except for high grade which was more common in Bosniak IV (12 vs 36%, p
Published: 2019

49. New insights on the electronic, magnetic, electric and molecular structure of a bis-(4-cyanopyridine) iron(III) complex with the meso-tetrakis(4-methoxyphenyl)porphyrin

Author: Charles E. Schulz, Valérie Marvaud, Leila Ben Haj Hassen, Habib Nasri, Selma Dhifaoui, Christine Stern, Yoann Rousselin, Laboratoire Physico-Chimie des Matériaux [Monastir], Faculté des Sciences de Monastir (FSM), Université de Monastir - University of Monastir (UM)-Université de Monastir - University of Monastir (UM), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Institut Parisien de Chimie Moléculaire (IPCM), Chimie Moléculaire de Paris Centre (FR 2769), Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), and Knox College
Subjects: Cyclic voltammetry, Infrared, 010402 general chemistry, 01 natural sciences, Coordination complex, Inorganic Chemistry, chemistry.chemical_compound, Magnetic properties, Mössbauer spectroscopy, [CHIM.CRIS]Chemical Sciences/Cristallography, Materials Chemistry, Molecule, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Physical and Theoretical Chemistry, X-ray Molecular structure, Heme, chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Iron(III) porphyrin, 0104 chemical sciences, 3. Good health, Crystallography, Chlorobenzene, Trifluoromethanesulfonate
Abstract: International audience; We have successfully synthesized and characterized a new low-spin iron(III) bis(4-cyanopyridine) complex with a meso-porphyrin substituted in the para positions of the phenyls by the methoxy group, namely the bis(4-cyanopyridine)[(meso-tetrakis(4-metoxyphenylporphyrinato)]iron(III) trifluoromethanesulfonate chlorobenzene monosolvate complex with the formula [FeIII(TMPP)(4-CNpy)2]SO3CF3.C6H5Cl (I). This species was characterized through ultraviolet–visible, Fourier-transform infrared and Mössbauer spectroscopy as well as by SQUID magnetometry, cyclic voltammetry, and X-ray crystallography. These characterizations indicated that our synthetic heme model is a low-spin (S = 1/2) coordination compound and especially shows that the structural, electronic and the magnetic properties of complex (I) are closely dominated by the presence of the methoxy σ-donor group at the para positions of the meso-porphyrin.
Published: 2019

50. Innovative Magnetic Nanoparticles for PET/MRI Bimodal Imaging

Author: Thomas, Guillaume, Boudon, Julien, Maurizi, Lionel, Moreau, Mathieu, Walker, Paul, Séverin, Isabelle, Oudot, Alexandra, Goze, Christine, Poty, Sophie, Vrigneaud, Jean-Marc, Demoisson, Frédéric, Denat, Franck, Brunotte, François, Millot, Nadine, Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Centre Hospitalier Universitaire de Dijon - Hôpital François Mitterrand (CHU Dijon), Equipe NuTox (LNC - U1231) (NUTOX), Lipides - Nutrition - Cancer [Dijon - U1231] (LNC), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Santé et de la Recherche Médicale (INSERM), Plateforme d'imagerie préclinique [Centre Georges-François Leclerc] (CGFL), Centre Régional de Lutte contre le cancer Georges-François Leclerc [Dijon] (UNICANCER/CRLCC-CGFL), UNICANCER-UNICANCER, Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Bourgogne (UB)-Institut National de la Santé et de la Recherche Médicale (INSERM)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Université de Bourgogne (UB)-Institut National de la Santé et de la Recherche Médicale (INSERM)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, and Dijon, Institut Agro
Subjects: lcsh:Chemistry, [SDV.IB.IMA] Life Sciences [q-bio]/Bioengineering/Imaging, [SDV.BIO]Life Sciences [q-bio]/Biotechnology, lcsh:QD1-999, [SDV.IB.IMA]Life Sciences [q-bio]/Bioengineering/Imaging, technology, industry, and agriculture, Nanoparticles, Imaging agents, Tomography, Article, [SDV.BIO] Life Sciences [q-bio]/Biotechnology, Nanostructures
Abstract: International audience; Superparamagnetic iron oxide nanoparticles were developed as positron emission tomography (PET) and magnetic resonance imaging (MRI) bimodal imaging agents. These nanoparticles (NPs), with a specific nanoflower morphology, were first synthesized and simultaneously functionalized with 3,4-dihydroxy-l-phenylalanine (LDOPA) under continuous hydrothermal conditions. The resulting NPs exhibited a low hydrodynamic size of 90 ± 2 nm. The functional groups of LDOPA (-NH2 and -COOH) were successfully used for the grafting of molecules of interest in a second step. The nanostructures were modified by poly(ethylene glycol) (PEG) and a new macrocyclic chelator MANOTA for further ⁶⁴Cu radiolabeling for PET imaging. The functionalized NPs showed promising bimodal (PET and MRI) imaging capability with high r2 and r2∗ (T2 and T2∗ relaxivities) values and good stability. They were mainly uptaken from liver and kidneys. No cytotoxicity effect was observed. These NPs appear as a good candidate for bimodal tracers in PET/MRI.
Published: 2019

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