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1. Synthesis, characterization and low-temperature carbonation of mesoporous magnesium oxide

Author: Kais Nahdi, Sondes Hamdi, Loïc Favergeon, Laetitia Vieille, Laboratoire d'Application de la Chimie aux Ressources et Substances Naturelles et à l'Environnement, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Université de Carthage - University of Carthage, Département Procédés de Transformations des Solides et Instrumentation (PTSI-ENSMSE), Centre Sciences des Processus Industriels et Naturels (SPIN-ENSMSE), École des Mines de Saint-Étienne (Mines Saint-Étienne MSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-École des Mines de Saint-Étienne (Mines Saint-Étienne MSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), Laboratoire Georges Friedel (LGF-ENSMSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Faculté des Sciences de Bizerte - Université de Carthage - Laboratoire d’Application de la Chimie Aux Ressources et Substances Naturelles et à l’Environnement
Subjects: CO2 capture, Thermogravimetric analysis, Materials science, Carbonation, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, magnesium oxide, 010402 general chemistry, 01 natural sciences, Specific surface area, Hydration reaction, Physical and Theoretical Chemistry, Hydromagnesite, thermogravimetric analysis, Magnesium, Thermal decomposition, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, chemistry, 13. Climate action, nesquehonite, mesoporous, 0210 nano-technology, Mesoporous material
Abstract: A sample of MgO was successfully synthesized using thermal decomposition of hydromagnesite and compared to commercial material. The characterization of materials using XRD, SEM, BET and BJH methods showed that the thermal decomposition way led to rectangular mesoporous microsheets with high specific surface area of 100 m2 g−1. This porous magnesium oxide has been shown to be a potential candidate for CO2 capture at low temperatures range (30 and 50 °C), low pressures of CO2 ( $$ P_{{{\text{CO}}_{2} }} = 600\;{\text{mbar}} $$ ) and in the presence of water vapor ( $$ P_{{{\text{H}}_{2} {\text{O}}}} = 15\;{\text{mbar}} $$ ). In these conditions, our results show that 11% of MgO was converted to hydrated magnesium carbonate MgCO3·3H2O after 8 h of carbonation in a thermobalance and reached 54% after 24 h of carbonation using tube furnace. After carbonation, hydration reaction pore size and surface area have noticeably changed.
Published: 2019
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2. Cancrinite synthesis from natural kaolinite by high pressure hydrothermal method: Application to the removal of Cd2+ and Pb2+ from water

Author: Oliver Schaef, Lobna Aloui, Renaud Denoyel, Fadhila Ayari, Dalila Ben Hassen Chehimi, Carine Chassigneux, Véronique Wernert, Aix Marseille Université (AMU), Matériaux divisés, interfaces, réactivité, électrochimie (MADIREL), Aix Marseille Université (AMU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire des Applications de la Chimie aux Ressources et Substances Naturelles et à l'Environnement (LACReSNE), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, and Université Aix-Marseille (Université Aix-Marseille)
Subjects: Materials science, Metal ions in aqueous solution, Enthalpy, 02 engineering and technology, engineering.material, Calorimetry, 010402 general chemistry, 01 natural sciences, Adsorption, Kaolinite, General Materials Science, Dissolution, Equilibrium constant, High pressure hydrothermal synthesis, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Faujasite, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Metakaolinite, 6. Clean water, 0104 chemical sciences, Cancrinite, Chemical engineering, Heavy metals, Lead, Mechanics of Materials, engineering, 0210 nano-technology, Cadmium
Abstract: International audience; Zeolites were synthesized from natural Tunisian clay by hydrothermal treatment under high pressure (100 MPa H 2 O pressure) at different gradients of temperature in high pressure autoclaves. The natural clay was first heated at 650 � C (HC-heated clay) and then transformed to an amorphous phase at 650 � C by adding different amount of NaOH. By increasing temperature and NaOH content, low-density frameworks zeolites like faujasite are transformed into more stable zeolites having higher density frameworks like cancrinite due to dissolution and recrystallisation steps. Cancrinite (Na 8 (H 2 0) 2 CO 3 [Al 6 Si 6 O 24 ]) (IZA-code: CAN) was successfully synthesized with a good purity. The synthesized CAN was characterized by X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM). The removal performance of heavy metal ions (Cd 2þ , Pb 2þ) from solution by pure CAN and clays has been studied. The kinetics of adsorption of Cd 2þ and Pb 2þ are very fast: equilibrium is reached within 2 min at 298 K. The capacity of adsorption of CAN is higher for Pb 2þ (192 mg g À 1) than for Cd 2þ (68 mg g À 1). Adsorption equilibrium of Cd 2þ and Pb 2þ on CAN were well represented by Langmuir equation although the thermodynamic study reveals a more complex mechanism: thermodynamic parameters, such as equilibrium constant, free energy, entropy and enthalpy for adsorption were obtained from the experimental data, including adsorption microcalorimetry.
Published: 2020
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3. A Laccase/Chitosan-Lambda-Carrageenan Based Voltammetric Biosensor for Phenolic Compound Detection

Author: Salma Besbes Hentati, Ilhem Rassas, Philippe Namour, Gaetan Raimondi, Hajer Chakroun Galai, Anne Bonhomme, Nicole Jaffrezic-Renault, Micro & Nanobiotechnologies, Institut des Sciences Analytiques (ISA), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Laboratory of Materials Chemistry, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratory of Interfaces and Advanced Materials, Université de Monastir - University of Monastir (UM), Riverly (Riverly), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and RiverLy (UR Riverly)
Subjects: 02 engineering and technology, OLIVE OIL, 010402 general chemistry, 01 natural sciences, CATECHOL, Analytical Chemistry, Chitosan, chemistry.chemical_compound, POLYPHENOLS, LACCASE, BIOSENSOR, Electrochemistry, [CHIM]Chemical Sciences, CHITOSAN, ComputingMilieux_MISCELLANEOUS, Laccase, Catechol, CARRAGEENAN, Lambda-Carrageenan, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Carrageenan, chemistry, [SDE]Environmental Sciences, 0210 nano-technology, Biosensor, Nuclear chemistry
Abstract: International audience; In this contribution, a new concept of voltammetric catechol biosensor, based on the encapsulation of laccase (LAC) in a chitosan+lambda-carrageenan (CHIT+CAR) polyelectrolyte complex (PEC) employing a simple coacervation process is presented. Chitosan (CHIT) was prepared from alpha-chitin extracted from shrimp shells and lambda-carrageenan (CAR) was extracted from red algae, both polysaccharides and PEC being characterized using FTIR spectrometry and electrochemistry. Cyclic voltammetry was utilized to determine the analytical features of the laccase (LAC) biosensor for catechol detection. The linear range was from 10(-20) M to 10(-14) M with a sensitivity of 1.55 mA/p[catechol] and a limit of detection of 3x10(-21) M.The laccase biosensor exhibits good repeatability (RSD 2.38 %) and stability (four weeks). The developed biosensor was tested by applying it to the evaluation of the total polyphenolic content in natural oil samples.
Published: 2020
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4. Polyol-Made Luminescent and Superparamagnetic β-NaY0.8Eu0.2F4@γ-Fe2O3 Core-Satellites Nanoparticles for Dual Magnetic Resonance and Optical Imaging

Author: TAHAR, Lotfi Ben, HAIDAR, Darine Abi, BOISSIERE, Michel, MNASRI, Walid, BEN TAHAR, Lotfi, BEAUNIER, Patricia, BOISSIÈRE, Michel, SANDRE, Olivier, AMMAR, Souad, Faculté des Sciences de Bizerte, Université de Carthage, Tunisia, Northern Border University, Arar, Saudi Arabia, Laboratoire de Physique des 2 Infinis Irène Joliot-Curie (IJCLab), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Matériaux Catalytiques et Catalyse en Chimie Organique (LMCCCO), Université Montpellier 1 (UM1)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS), Université de Cergy Pontoise (UCP), Université Paris-Seine, Interfaces, Traitements, Organisation et Dynamique des Systèmes (ITODYS (UMR_7086)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7), Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte, Laboratoire de Réactivité de Surface (LRS), Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC), Sorbonne Université (SU), Equipe de recherche sur les relations matrice extracellulaire-cellules (ERRMECe), Fédération INSTITUT DES MATÉRIAUX DE CERGY-PONTOISE (I-MAT), Université Paris-Seine-Université Paris-Seine-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine, Laboratoire de Chimie des Polymères Organiques (LCPO), Université de Bordeaux (UB)-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Institut Polytechnique de Bordeaux-Centre National de la Recherche Scientifique (CNRS), TEAM 3 LCPO, Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux (Bordeaux INP)-Centre National de la Recherche Scientifique (CNRS), Funding by the French state and the Nouvelle Aquitaine region through the CPER CAMPUSB project is acknowledged for acquiring the BrukerMinispec™ mq60 relaxometer, ANR-11-LABX-086 - ANR-11-IDEX-05-02,LabEx SEAM,Science and Engineering for Advanced Materials and devices, ANR-11-IDEX-0005-02/11-IDEX-0005,USPC,USPC(2011), ANR-11-INBS-0006/11-INBS-0006,FLI,France In vivo Imaging(2011), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage, Université Paris Diderot - Paris 7 (UPD7)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CY Cergy Paris Université (CY)-CY Cergy Paris Université (CY), Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC), Team 3 LCPO : Polymer Self-Assembly & Life Sciences, Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC), ANR-10-LABX-0096,SEAM,Science and Engineering for Advanced Materials and devices(2010), ANR-11-IDEX-0005,USPC,Université Sorbonne Paris Cité(2011), and ANR-11-INBS-0006,FLI,France Life Imaging(2011)
Subjects: Materials science, [SDV.IB.IMA]Life Sciences [q-bio]/Bioengineering/Imaging, General Chemical Engineering, Nanoparticle, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 01 natural sciences, 7. Clean energy, europium-doped fluoride nanocrystals, lcsh:Chemistry, chemistry.chemical_compound, Colloid, General Materials Science, [SDV.IB.BIO]Life Sciences [q-bio]/Bioengineering/Biomaterials, polyol process, human foreskin fibroblast cell viability, dual superparamagnetic and luminescent nanoprobes, iron oxide nanoparticles, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Magnetostatics, 0104 chemical sciences, 3. Good health, chemistry, lcsh:QD1-999, Physical chemistry, Crystallite, 0210 nano-technology, Luminescence, Single crystal, Iron oxide nanoparticles, Superparamagnetism
Abstract: Red luminescent and superparamagnetic &beta, NaY0.8Eu0.2F4@&gamma, Fe2O3 nanoparticles, made of a 70 nm-sized &beta, NaY0.8Eu0.2F4 single crystal core decorated by a 10 nm-thick polycrystalline and discontinuous &gamma, Fe2O3 shell, have been synthesized by the polyol process. Functionalized with citrate ligands they show a good colloidal stability in water making them valuable for dual magnetic resonance and optical imaging or image-guided therapy. They exhibit a relatively high transverse relaxivity r2 = 42.3 mM&minus, 1&middot, s&minus, 1 in water at 37 &deg, C, for an applied static magnetic field of 1.41 T, close to the field of 1.5 T applied in clinics, as they exhibit a red emission by two-photon excited fluorescence microscopy. Finally, when brought into contact with healthy human foreskin fibroblast cells (BJH), for doses as high as 50 &micro, g&middot, mL&minus, 1 and incubation time as long as 72 h, they do not show evidence of any accurate cytotoxicity, highlighting their biomedical applicative potential.
Published: 2020
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5. Re-examination of the β→γ transformation of Ca2SiO4

Author: A. Smith, Youssef El Hafiane, Sofien Saidani, Lotfi Ben Tahar, IRCER - Axe 1 : procédés céramiques (IRCER-AXE1), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], and Université de Carthage - University of Carthage-Université de Carthage - University of Carthage
Subjects: Cement, Materials science, Sintering, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Silicate, Transformation (music), Grain size, [SPI.MAT]Engineering Sciences [physics]/Materials, 0104 chemical sciences, law.invention, chemistry.chemical_compound, Portland cement, chemistry, Chemical engineering, Impurity, law, Martensite, Materials Chemistry, Ceramics and Composites, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract: Dicalcium silicate finds applications in different fields (cement, bio-ceramics, refractories). In the case of Portland cement, its interest is its lower sintering temperature compared to tricalcium silicate and therefore an interesting compound for low CO2 cements. Dicalcium silicate goes through different polymorphic forms, namely α, α'H, α'L, β and γ, as the temperature decreases. In theory, only the γ-phase is stable at room temperature. In a polycrystalline material, the different polymorphs can co-exist depending on several factors (sintering conditions, presence of impurities, grain size) and the interpretations given in the literature are sometimes contradictory. For cement applications, only the α, α' or β polymorphs react with water to give hydrates while γ does not. Therefore, this paper focuses specifically on the effect of grain size on the β to γ transformation. We also propose that the transformation is semi-reconstructive and not martensitic as suggested by some authors.
Published: 2018
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6. Aqueous synthesis of highly fluorescent and color-tunable Ag+-doped CdxZn1-xS quantum dots

Author: Tahar Ben Chaabane, Ghouti Medjahdi, Raphaël Schneider, Afef Yakoubi, Lavinia Balan, Hervé Rinnert, Maroua Mrad, Université de Carthage - University of Carthage, Laboratoire Réactions et Génie des Procédés (LRGP), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut Jean Lamour (IJL), Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Science des Matériaux de Mulhouse (IS2M), Centre National de la Recherche Scientifique (CNRS)-Matériaux et nanosciences d'Alsace (FMNGE), Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, and Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)
Subjects: Aqueous solution, Materials science, Photoluminescence, Dopant, Mechanical Engineering, Doping, Metals and Alloys, Analytical chemistry, Quantum yield, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Fluorescence, 0104 chemical sciences, Core (optical fiber), Mechanics of Materials, Quantum dot, Materials Chemistry, 0210 nano-technology
Abstract: International audience; Facile and low cost syntheses of 3-mercaptopropionic acid-capped Ag:CdxZn1-xS and of core/shell Ag:CdxZn1-xS/ZnS quantum dots (QDs) are presented. The effects of the Ag+ doping concentration and of the Cd/Zn ratio on the structural and optical properties of the dots were investigated. Core Ag:CdxZn1-xS QDs have an average diameter of ca. 4.5 nm and their photoluminescence (PL) emission can be tuned from 478 to 610 nm by varying the dopant concentration or the composition of the CdxZn1-xS host material. The highest PL quantum yield (25%) is obtained when using 2 or 3.5% doping in Ag+. The PL quantum yield increased substantially (44%) after capping the Ag:CdxZn1-xS core with a ZnS shell. Due to their high photostability and long excited-state lifetimes (1–2 μs), Ag:CdxZn1-xS QDs are of high potential as nanophosphors or as fluorescent probes for bio-imaging.
Published: 2018
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7. Synthesis and Characterizations of ZnS:Cu/ZnS Assisted by 3-Mercaptopropionic Acid

Author: Louiz Sonia, Raphaël Schneider, Labiadh Houcine, Tahar Ben Chaabane, Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Université de Carthage - University of Carthage, Laboratoire Réactions et Génie des Procédés (LRGP), and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)
Subjects: Photoluminescence, Materials science, Nucleation, Analytical chemistry, Nanoparticle, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Catalysis, 0104 chemical sciences, Nanocrystal, Chemistry (miscellaneous), Quantum dot, Transmission electron microscopy, Environmental Chemistry, Quantum efficiency, Physical and Theoretical Chemistry, 0210 nano-technology, Spectroscopy
Abstract: International audience; 3-Mercaptopropionic acid capped core/shell ZnS:Cu(3%)/ZnS doped quantum dots (QDs) where synthesized at 95 °C in basic aqueous solution using the nucleation doping approach methods. The structural and optical properties of the QDs were characterized by X-ray diffraction (XRD) which confirms the cubic phase blende, whereas transmission electron microscopy (TEM) which shows the nanoparticles are spherical. UV–vis spectroscopy and photoluminescence (PL) spectroscopy. The obtained nearly monodisperse QDs have an average diameter of ca. 3.31 nm and a zinc blende crystal structure. The PL emission wavelength was limited between 500 and 510 nm but PL quantum efficiency of ZnS:Cu/ZnS core/shell nanocrystals increased up to 5%. The experimental results demonstrate that this method is effective for the preparation of ZnS:Cu/ZnS quantum dots.
Published: 2018
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8. Synthesis and luminescent properties of Eu3+-doped phosphate-sulfate fluorapatites Ca10−xNax(PO4)6−x(SO4)xF2

Author: Malika Trabelsi-Ayadi, Yannick Guyot, F. Nouri, R. Ternane, Gérard Panczer, Laboratoire des Applications de la Chimie aux Ressources et Substances Naturelles et à l'Environnement (LACReSNE), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)
Subjects: Biophysics, Analytical chemistry, Infrared spectroscopy, 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Biochemistry, Ion, [SPI]Engineering Sciences [physics], chemistry.chemical_compound, [CHIM]Chemical Sciences, Emission spectrum, Sulfate, Spectroscopy, ComputingMilieux_MISCELLANEOUS, [PHYS]Physics [physics], Doping, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Phosphate, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, chemistry, 13. Climate action, 0210 nano-technology, Luminescence
Abstract: A series of phosphate-sulfate fluorapatites Ca 10−x Na x (PO 4 ) 6−x (SO 4 ) x F 2 :Eu 3+ (2%) (x = 0, 3, 6) has been synthesized by the solid-state reaction at high temperature. The samples were characterized by X-ray diffraction, Infrared spectroscopy and Raman scattering spectroscopy. Eu 3+ luminescence properties were investigated at 77 K using site selective and time-resolved spectroscopy. Lifetimes and the color points were calculated. The emission spectra and luminescence decays of Eu 3+ ions indicate that there is an energy transfer between different sites occupied by Eu 3+ .
Published: 2017
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9. Elimination du colorant anionique des effluents des industries textiles par l'usage des argiles tunisiennes comme adsorbants. Mesures du potential zêta et du potentiel d' ecoulement induit

Author: Emna Errais, Amane Jada, Malika Ghazi, Nejib Abidi, Malika Trabelsi-Ayadi, Khadija Semhi, Joëlle Duplay, Laboratoire d'Hydrologie et de Géochimie de Strasbourg (LHyGeS), Ecole et Observatoire des Sciences de la Terre (EOST), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-École Nationale du Génie de l'Eau et de l'Environnement de Strasbourg (ENGEES)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Centre de géochimie de la surface (CGS), Institut national des sciences de l'Univers (INSU - CNRS)-Université Louis Pasteur - Strasbourg I-Centre National de la Recherche Scientifique (CNRS), Institut de Science des Matériaux de Mulhouse (IS2M), Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS), Département de chimie (LPCM), Faculté des Sciences de Bizerte [Université de Carthage], and Université de Carthage - University of Carthage-Université de Carthage - University of Carthage
Subjects: 010405 organic chemistry, Chemistry, [SDE.IE]Environmental Sciences/Environmental Engineering, General Chemical Engineering, Aqueous two-phase system, Palygorskite, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, engineering.material, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Adsorption, Chemical engineering, Ionic strength, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Specific surface area, Illite, [SDE]Environmental Sciences, medicine, engineering, Zeta potential, Kaolinite, medicine.drug
Abstract: International audience; In the present work, we have investigated the adsorption capacities of natural raw clays originated from Tunisia, such as those from Tabarka (a mixture of kaolinite and illite) and from Fouchana (a mixture of smectite, kaolinite, and illite), a standard kaolinite (KGa-2), and a palygorskite (PFl-1) for the removal of a reactive red dye (RR 120) usually found in textile industry effluents. Thus, batch adsorption experiments were performed and were tuned by varying different parameters such as adsorption contact time, aqueous phase pH, ionic strength, and initial dye concentration. In addition, zeta potential measurements allowed the determination of the electrical charge and of the dye behavior at the clay ewater interface. Despite the fact that palygorskite has higher porosity and specific surface values, the amount of dye adsorbed on this clay is low in comparison to that of the other solid samples, regardless of the values of pH and ionic strength of the aqueous phase. On the other hand, a higher amount of adsorbed dye was observed on KGa-2, having the lowest specific surface area value. This sample, in comparison to smectite and fibrous clays, was found to be more efficient in the removal the anionic dye, and thus it can be used as an adsorbent for the treatment of effluents in the textile industry. Motscl es: Colorant anionique Adsorption Argile Potentiel d' ecoulement induit Potentiel zêta Effluents textiles r é s u m é Dans ce travail, nous avons etudi e les capacit es d'adsorption des argiles naturelles brutes originaires de Tunisie, telles que celles de Tabarka (m elange de kaolinite et d'illite), de Fouchana (m elange de smectite, kaolinite et illite), une kaolinite standard (KGa-2) et une palygorskite (PFl-1), pour eliminer un colorant rouge r eactif (RR 120) pr esent dans les effluents de l'industrie textile. Ainsi, des exp eriences d'adsorption en batch ont et e r ealis ees, examinant diff erents param etres tels que le temps de contact adsorbante adsorbat, le pH et la force ionique de la phase aqueuse, la concentration initiale en colorant. Par ailleurs, des mesures du potential zêta et du potentiel d' ecoulement induit des diff erentes dispersions aqueuses en absence et en pr esence du colorant ont permis de d eterminer la charge electrique et le comportement du colorant a l'interface argileeeau. Les r esultats montrent que, malgr e le fait que la palygorskite pr esente une porosit e et une surface sp ecifique elev ees, la quantit e de colorant adsorb ee sur cette argile est faible par rapport a celles des autres argiles, quelles que soient les valeurs de pH et de force ionique de la phase aqueuse. Par ailleurs, la quantit e de colorant adsorb e la plus elev ee a et e observ ee sur la kaolinite (KGa-2), qui s'est av er eeêtre l'adsorbant le plus efficace pour eliminer le colorant anionique et traiter les effluents de l'industrie textile.
Published: 2019
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10. High performance Ce-doped ZnO nanorods for sunlight-driven photocatalysis

Author: Ghouti Medjahdi, Raphaël Schneider, Lavinia Balan, Emilien Girot, Kevin Mozet, Tahar Ben Chaabane, Bilel Chouchene, Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Photomatériaux pour l'Optique et les Nanotechnologies (PHOTON LRC 7228), Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA)), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut Jean Lamour (IJL), and Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, genetic structures, Solvothermal synthesis, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, Photochemistry, lcsh:Chemical technology, 01 natural sciences, lcsh:Technology, Rod, Full Research Paper, symbols.namesake, X-ray photoelectron spectroscopy, ZnO rods, [CHIM]Chemical Sciences, Nanotechnology, General Materials Science, lcsh:TP1-1185, Irradiation, Electrical and Electronic Engineering, lcsh:Science, Ce doping, lcsh:T, Doping, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, lcsh:QC1-999, 0104 chemical sciences, Nanoscience, Photocatalysis, symbols, Nanorod, solvothermal synthesis, lcsh:Q, 0210 nano-technology, Raman spectroscopy, photocatalysis, lcsh:Physics
Abstract: International audience; Ce-doped ZnO (ZnO:Ce) nanorods have been prepared through a solvothermal method and the effects of Ce-doping on the structural, optical and electronic properties of ZnO rods were studied. ZnO:Ce rods were characterized by XRD, SEM, TEM, XPS, BET, DRS and Raman spectroscopy. 5% Ce-doped ZnO rods with an average length of 130 nm and a diameter of 23 nm exhibit the highest photocatalytic activity for the degradation of the Orange II dye under solar light irradiation. The high photocatalytic activity is ascribed to the substantially enhanced light absorption in the visible region, to the high surface area of ZnO:Ce rods and to the effective electron–hole pair separation originating from Ce doping. The influence of various experimental parameters like the pH, the presence of salts and of organic compounds was investigated and no marked detrimental effect on the photocatalytic activity was observed. Finally, recyclability experiments demonstrate that ZnO:Ce rods are a stable solar-light photocatalyst.
Published: 2016
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11. trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis

Author: Thierry Roisnel, Houda Marouani, Cherifa Ben M'leh, LSSMI, Departement de Chimie, Faculte des Sciences de Bizerte, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Université de Carthage - University of Carthage, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Surface (mathematics), crystal structure, Stereochemistry, Salt (chemistry), Crystal structure, 010402 general chemistry, 010403 inorganic & nuclear chemistry, 01 natural sciences, Research Communications, Ion, Perchlorate, chemistry.chemical_compound, Hirshfeld surface analysis, [CHIM]Chemical Sciences, General Materials Science, molecular salt, Physics::Chemical Physics, piperazine derivative, chemistry.chemical_classification, Crystallography, Hydrogen bond, molecular salt, General Chemistry, hydrogen bonding, Condensed Matter Physics, 0104 chemical sciences, Dication, Piperazine, chemistry, QD901-999
Abstract: The extended structure consists of infinite [010] chains linked by Ow—H⋯O (w = water) hydrogen bonds. These chains are cross-linked by the dications via N—H⋯Ow and weak C—H⋯O hydrogen bonds, thus forming a three-dimensional supramolecular network. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H⋯O/O⋯H and H⋯H contacts., The asymmetric unit of the title hydrated molecular salt, C6H16N2 2+·2ClO4 −·2H2O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water molecule. The extended structure consists of infinite chains of formula [(ClO4)H2O]nn − ions extending along the b axis linked by Ow—H⋯O (w = water) hydrogen bonds. These chains are cross-linked by the dications via N—H⋯Ow and weak C—H⋯O hydrogen bonds, thus forming a three-dimensional supramolecular network. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H⋯O/O⋯H and H⋯H contacts.
Published: 2016
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12. Synthesis and Characterization of Positively Charged tris -Imidazolium Calix[6]arene Hosts for Anion Recognition

Author: Michael J. Chetcuti, Lobna Aloui, Rym Abidi, Mourad Elhabiri, Carlos Platas-Iglesias, David Esteban-Gómez, Laboratoire d'innovation moléculaire et applications (LIMA), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Departamento de Quimica Inorganica e Ingenieria Quimica (Cordoba, Spain), University of Córdoba [Córdoba], Departamento de Química Fundamental, Universidade da Coruña, Laboratoire d'Application de la Chimie aux Ressources et Substances Naturelles de l'Environnement, Faculté des Sciences de Bizerte [Université de Carthage], and Université de Carthage - University of Carthage-Université de Carthage - University of Carthage
Subjects: Tris, 010405 organic chemistry, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, General Chemistry, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, 3. Good health, 0104 chemical sciences, Characterization (materials science), Ion, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry.chemical_compound, ComputingMilieux_MISCELLANEOUS
Abstract: International audience
Published: 2019
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13. Annealing effect on the electrical proprieties of IF(CN2)2-meta based OTFTs: Thermal behavior and modeling of charge transport

Author: Ramzi Bourguiga, Emmanuel Jacques, Sarah Bebiche, N. Arfaoui, Ismaïl Bouhadda, Cyril Poriel, M. Mahdouani, M. Chevrier, Université de Carthage - University of Carthage, 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 des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Institut d'Électronique et des Technologies du numéRique (IETR), Nantes Université (NU)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), This work has been supported by the Tunisian Ministry of Higher Education and Scientific Research, University of Carthage., 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 Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Nantes (UN)-Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Université de Rennes 1 (UR1), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université de Nantes (UN)-Université de Rennes 1 (UR1)
Subjects: Materials science, Annealing (metallurgy), 02 engineering and technology, Activation energy, Photoresist, Modeling the charge transport, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Variable-range hopping, Crystallinity, [CHIM]Chemical Sciences, General Materials Science, Electrical and Electronic Engineering, business.industry, N type-OTFTs, Density of states, Atmospheric temperature range, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Thin-film transistor, Temperature dependence, Optoelectronics, Annealing effect, 0210 nano-technology, business
Abstract: International audience; N-type organic thin film transistors (OTFT) based on IF(CN2)2-meta were fabricated in bottom gate-bottom contact configuration at substrate temperature of 80 °C and deposition rate dr of 0,4 Å/s, using the epoxy based photoresist SU-8 as gate insulator. A thermal annealing of fabricated devices under nitrogen for 90 min at 150 °C has enhanced their performances. In order to understand the annealing effect on the performance of IF(CN2)2-meta based OFETs, we have analyzed their thermal behavior by characterizing them electrically over a temperature range from 300 up to 380 K while 10 K step was used. Accordingly, we have estimated and compared the activation energy of the mobility Ea and the density of state DOS before and after annealing treatment. The present study has shown that the improvement of OFETs performances is due to the increased crystallinity of IF(CN2)2-meta layer thereby to the enhanced SU-8/IF(CN2)2-meta and Au/IF(CN2)2-meta interfaces. Finally, to understand the charge transport mechanism dominating in the IF(CN2)2-meta molecule and to model the fabricated OFETs, we have successfully reproduced the dependence of mobility with temperature and the transfer and output characteristics using an analytical model based on variable range hopping (VRH) theory.
Published: 2018
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14. Luminescent properties of Eu-doped calcium aluminosilicate glass-ceramics: A potential tunable luminophore

Author: R. Ternane, Dominique de Ligny, Gérard Panczer, Yannick Guyot, Hamed Bouchouicha, Institut Lumière Matière [Villeurbanne] (ILM), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, Laboratoire des Applications de la Chimie aux Ressources et Substances Naturelles et à l'Environnement (LACReSNE), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, and Friedrich-Alexander Universität Erlangen-Nürnberg (FAU)
Subjects: Materials science, Analytical chemistry, 02 engineering and technology, engineering.material, 010402 general chemistry, Anorthite, 01 natural sciences, law.invention, Inorganic Chemistry, chemistry.chemical_compound, symbols.namesake, [SPI]Engineering Sciences [physics], law, Phase (matter), [CHIM]Chemical Sciences, Electrical and Electronic Engineering, Physical and Theoretical Chemistry, Crystallization, Spectroscopy, [PHYS]Physics [physics], Organic Chemistry, Calcium aluminosilicate, Melilite, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, chemistry, Luminophore, engineering, symbols, 0210 nano-technology, Luminescence, Raman spectroscopy
Abstract: International audience; Eu-doped calcium aluminosilicate glass-ceramics have been successfully prepared from the initial calcium aluminosilicate glass, containing 50 wt% of silica, under heat-treatment. Structural and optical properties of glass and obtained glass-ceramics were investigated. Control of crystallization using X-ray diffraction and Raman spectroscopy allowed to identify two main crystalline phases: anorthite [CaAl2Si2O8] as the major phase and melilite [Ca2Mg0.75Al0.5Si1.75O7] as the minor phase. Luminescent properties were investigated by emission spectra, lifetime measurements and color point analysis. The Eu3+ ion emission was used as an environment probe in the initial glass and glass-ceramics. Additionally, the broad band emission due to 4f65 d1→4f7 showed that Eu2+ is incorporated into the crystalline phases after reduction of Eu3+ during annealing. This incorporation, increasing with time of heat-treatment, enhanced Eu2+ luminescence.
Published: 2018
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15. A Rotaxane Scaffold for the Construction of Multiporphyrinic Light-Harvesting Devices

Author: Béatrice Delavaux-Nicot, Jean-François Nierengarten, Eric Meichsner, Haifa Ben Aziza, Matthieu Chessé, Iwona Nierengarten, Thi Minh Nguyet Trinh, Michel Holler, Rym Abidi, Emmanuel Maisonhaute, 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), Substances naturelles/chimie moléculaire, Université Louis Pasteur - Strasbourg I-Ecole européenne de chimie, polymères et matériaux [Strasbourg]-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Application de la Chimie aux Ressources et Substances Naturelles de l'Environnement, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Ecole nationale supérieure de chimie, polymères et materiaux de strasbourg (ECPM), Laboratoire Interfaces et Systèmes Electrochimiques (LISE), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), and Labex 'Chimie des Systèmes Complexes'
Subjects: Rotaxane, Porphyrins, Rotaxanes, Supramolecular chemistry, 010402 general chemistry, Photochemistry, Electrochemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, polycyclic compounds, [CHIM]Chemical Sciences, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, 010405 organic chemistry, Chemistry, Pillararene, Organic Chemistry, General Chemistry, Combinatorial chemistry, Porphyrin, Molecular machine, 0104 chemical sciences, Molecular machines, Energy transfer, Intramolecular force, Click chemistry, [CHIM.OTHE]Chemical Sciences/Other
Abstract: International audience; A sophisticated photoactive molecular device hasbeen prepared by combining recent concepts for the preparationof multifunctional nanomolecules (click chemistry onmultifunctional scaffolds) with supramolecular chemistry(self-assembly to prepare rotaxanes). Specifically, a clickable[2]rotaxane scaffold incorporating a free-base porphyrinstopper has been prepared and functionalized with ten peripheralZn(II)-porphyrin moieties. Electrochemical investigationsof the final compound revealed a peculiar behavior resultingfrom the intramolecular coordination of the Zn(II)porphyrin moieties to 1,2,3-triazole units. Finally, steadystate investigations of the compound combining Zn(II) andfree-base porphyrin moieties have shown that this compoundis a light-harvesting device capable of channeling thelight energy from the peripheral Zn(II)-porphyrin subunits tothe core by singlet–singlet energy transfer.
Published: 2017
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16. Understanding the influence of hydrogen pressure on the enantioselectivity of hydrogenation: A combined theory-experiment approach

Author: A. Aloui, Françoise Delbecq, C. de Bellefon, Philippe Sautet, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage, Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de 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), Laboratoire de Génie des Procédés Catalytiques (LGPC), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École Supérieure de Chimie Physique Électronique de Lyon (CPE)-Centre National de la Recherche Scientifique (CNRS), Laboratory of Biochemistry, Faculty of science Bizerte, Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, 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), École Supérieure Chimie Physique Électronique de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon
Subjects: Hydrogen, chemistry.chemical_element, Enantioselectivity, 010402 general chemistry, Photochemistry, 01 natural sciences, Biochemistry, DFT, Rhodium, Inorganic Chemistry, chemistry.chemical_compound, Hydrogen pressure, Computational chemistry, Amide, Materials Chemistry, Physical and Theoretical Chemistry, Enantiomeric excess, ComputingMilieux_MISCELLANEOUS, 010405 organic chemistry, Ligand, Migratory insertion, Organic Chemistry, Oxidative addition, Transition state, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry, Enamide, Mechanism, Other Chemical Sciences
Abstract: Why would the pressure of hydrogen affect the enantioselectivity of hydrogenation in an opposite way for two enamide reactants, M-acrylate (methyl 2-acetamidoacrylate) and E-emap (ethyl 4-methyl-3-acetamido-2-pentanoate), with rhodium (I) complexes coordinated to a diphosphine ligand? This question was answered by a combination of experiments and DFT calculations. The activation free energies, the kinetic constants and the enantiomeric excess ee have been calculated. In the static pathways, the two substrates show significant differences. From the square-planar substrate-metal complex, M-acrylate (resp. E-emap) prefers the attack of the hydrogen on the side opposite to (resp. of) the amide group. Both substrates however show lower transition states on the pathway starting from the minor stereoisomer of the substrate-metal complex. The turnover-limiting step for M-acrylate is the oxidative addition of hydrogen on the substrate-metal complex, while it is the migratory insertion of the substrate in the Rh-H bond for E-emap. However, the energy profiles are not sufficient to understand the enantioselectivity of the reaction: the kinetic simulations lead to different conclusions and show a marked influence of the hydrogen pressure. For both substrates, the R isomer is obtained in the realistic pressure range, coming from the minor isomer for M-acrylate and from the major isomer for E-emap. Hence, depending on the reactant, the preferred pathway follows either the major/minor or the lock-and-key concept. The importance of combining DFT calculations with kinetic simulations in unraveling the mechanism is underlined. In particular, they reveal that the rate of formation of the metal-substrate complex plays a key role for the enantioselectivity.
Published: 2017
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17. Porous Al-doped ZnO rods with selective adsorption properties

Author: Raphaël Schneider, Kevin Mozet, Bilel Chouchene, Tahar Ben Chaabane, Serge Corbel, Ghouti Medjahdi, Emilien Girot, Lavinia Balan, Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Photomatériaux pour l'Optique et les Nanotechnologies (PHOTON LRC 7228), Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA)), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, genetic structures, General Physics and Astronomy, Al-doped ZnO rods, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Solvothermal synthesis, chemistry.chemical_compound, symbols.namesake, Adsorption, Specific surface area, Anionic dyes, [CHIM]Chemical Sciences, Wurtzite crystal structure, Dopant, Doping, Surfaces and Interfaces, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Surfaces, Coatings and Films, Chemical engineering, chemistry, Acid red 88, Selective adsorption, symbols, sense organs, 0210 nano-technology, Raman spectroscopy
Abstract: International audience; Al-doped ZnO (ZnO:Al) rods with Al doping varying from 0 to 20% were successfully prepared via a solvothermal method. ZnO:Al rods exhibit the hexagonal wurtzite crystalline structure and their length were found to decrease from 127 to 12 nm when increasing the dopant percentage from 0 to 20%. Simultaneously, their specific surface area increased from ca. 21 to 82 m2/g. ZnO:Al (20%) rods exhibit high adsorption capability towards some negatively charged dyes like Orange II, Acid red 88 or Alizarin, which was attributed to the high specific surface of ZnO:Al rods and to the defects induced by the Al doping as demonstrated by XRD and Raman spectroscopy.
Published: 2017
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18. Coordination-Driven Folding in Multi-Zn II -Porphyrin Arrays Constructed on a Pillar[5]arene Scaffold

Author: Haifa Ben Aziza, Iwona Nierengarten, Béatrice Delavaux-Nicot, Michel Holler, Rym Abidi, Thi Minh Nguyet Trinh, Jean-François Nierengarten, Matthieu Chessé, Emmanuel Maisonhaute, Christian Bijani, Yannick Coppel, Eric Meichsner, Substances naturelles/chimie moléculaire, Université Louis Pasteur - Strasbourg I-Ecole européenne de chimie, polymères et matériaux [Strasbourg]-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Application de la Chimie aux Ressources et Substances Naturelles de l'Environnement, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, 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 Interfaces et Systèmes Electrochimiques (LISE), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Labex 'Chimie des Systèmes Complexes', 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: chemistry.chemical_classification, molecular machine, 010405 organic chemistry, Stereochemistry, Organic Chemistry, Alkyne, General Chemistry, pillararene, Pillararene, 010402 general chemistry, molecular folding, 01 natural sciences, Porphyrin, Catalysis, Molecular machine, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Intramolecular force, Imidazole, Molecule, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Cyclic voltammetry, CuAAC
Abstract: Dedicated to Professor Vincenzo Balzani on the occasion of his 80th birthday; International audience; Pillar[5]arene derivatives bearing peripheral porphyrin subunits have been efficiently prepared from a decaazide pillar[5]arene building block (17) and ZnII-porphyrin derivatives bearing a terminal alkyne function (9 and 16). For the resulting deca-ZnII-porphyrin arrays (18 and 20), variable temperature NMR studies revealed an intramolecular complexation of the peripheral ZnII-porphyrin moieties by 1,2,3-triazole subunits. As a result, the molecules adopt a folded conformation. This was further confirmed by UV/Visspectroscopy and cyclic voltammetry. In addition, we have also demonstrated that the coordination-driven unfolding of 18 and 20 can be controlled by an external chemical stimulus.Specifically, addition of an imidazole derivative (22) to solution of 18 or 20 breaks the intramolecular coordination at the origin of the folding. The resulting molecular motions triggered by the addition of the imidazole ligand mimic the blooming of a flower.
Published: 2017
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19. The first 3D malonate bridged copper [Cu(O2C–CH2–CO2H)2·2H2O]: Structure, properties and electronic structure

Author: Florent Boucher, N. Jouini, M. Fakhfakh, P. Gressier, L.S. Smiri, A. Seguatni, LSSMI, Departement de Chimie, Faculte des Sciences de Bizerte, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut des Matériaux Jean Rouxel (IMN), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Polytechnique de l'Université de Nantes (EPUN), and Université de Nantes (UN)-Université de Nantes (UN)
Subjects: Chemistry, Magnetism, Jahn–Teller effect, Infrared spectroscopy, 02 engineering and technology, Electronic structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Magnetic susceptibility, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Inorganic Chemistry, Crystallography, X-ray crystallography, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Materials Chemistry, Ceramics and Composites, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Single crystal
Abstract: International audience; A new inorganic-organic compound [Cu(O2C-CH2-CO2H)2*2H2O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)-malonic acid-H2O. Its framework is built up through carboxyl bridged copper where CuO6 octahedra are elongated with an almost D4h symmetry (4+2) due to the Jahn-Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2-300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a Ueff value of about 6 eV is necessary for a better correlation with the experiment.
Published: 2012
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20. A versatile route for surface modification of carbon, metals and semi-conductors by diazonium salt-initiated photopolymerization

Author: Jean-Yves Piquemal, Mireille Turmine, Sarra Gam-Derouich, Samia Mahouche-Chergui, Mohamed M. Chehimi, Mária Omastová, Dalila Ben Hassen-Chehimi, Interfaces, Traitements, Organisation et Dynamique des Systèmes (ITODYS (UMR_7086)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7), Laboratoire Interfaces et Systèmes Electrochimiques (LISE), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Application de la Chimie aux Ressources et Substances Naturelles et à l'Environnement, Faculté des Sciences de Bizerte, Polymer Institute, Slovak Academy of Science [Bratislava] (SAS), Université Paris Diderot - Paris 7 (UPD7)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Faculté des Sciences de Bizerte [Université de Carthage], and Université de Carthage - University of Carthage-Université de Carthage - University of Carthage
Subjects: Materials science, 02 engineering and technology, Glassy carbon, 010402 general chemistry, 01 natural sciences, Paint adhesion testing, chemistry.chemical_compound, Surface modification, Polymer chemistry, Materials Chemistry, Benzophenone, Semi-conductors, chemistry.chemical_classification, Photopolymerization, Aryl, Surfaces and Interfaces, Polymer, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Diazonium salts, Carbon, 0104 chemical sciences, Surfaces, Coatings and Films, Photopolymer, Methacrylic acid, chemistry, Metals, Polymer adhesion, [CHIM.OTHE]Chemical Sciences/Other, 0210 nano-technology
Abstract: International audience; This paper describes a general procedure to graft vinylic polymers by surface-initiating photopolymerization (SIPP) on diazonium-modified substrates. We have selected three surface-grafted aryl initiating systems (aryl = benzoyl phenyl (BP), dodecylphenyl (DDP), aminophenyl (AP)). The substrates were gold, stainless steel, glassy carbon and ITO. As previously found, surface-BP in the presence of dimethyl aniline (DMA. co-initiator) is very efficient on all substrates as judged by XPS. The surface-DDP/benzophenone system is extremely interesting as it provides a new method for coating vinylic polymers onto aryl-modified substrates. In this system the grafted DDP groups act as hydrogen donors. The simple gold-AP initiating system is interesting and needs further developments. All surfaces were characterized by XPS and surface compositions were correlated with wettability measurements for the Au-BP-polymethacrylate series. PM-IRRAS permitted to monitor the growth of poly(methacrylic acid) with SIPP time. Finally, adhesion aspects are covered in a preliminary study. We show here that polymer grafts resist complete delamination by the powerful swelling solvent methyl ethyl ketone, particularly when they are crosslinked. This adhesion test has never been applied to polymers bonded to surfaces through aryl diazonium coupling agents. This work constitutes a new step in designing well defined polymer grafts using aryl diazonium-derived photoinitiators. The method could be adapted on demand to a variety of substrates.
Published: 2011
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21. Electrical properties of Al-doped oxyapatites at intermediate temperature

Author: Claude Roux, Sami Chefi, Abdelkader Hammou, H. Boussetta, A. Madani, Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratoire d'Electrochimie et de Physico-chimie des Matériaux et des Interfaces (LEPMI ), and Institut de Chimie du CNRS (INC)-Institut National Polytechnique de Grenoble (INPG)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Université Joseph Fourier - Grenoble 1 (UJF)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Oxide, Analytical chemistry, Impedance spectroscopy, Energy Engineering and Power Technology, Mineralogy, Sintering, 02 engineering and technology, Activation energy, Electrolyte, Conductivity, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, Ionic conduction, Oxyapatites, Ionic conductivity, SOFC, Electrical and Electronic Engineering, Physical and Theoretical Chemistry, Renewable Energy, Sustainability and the Environment, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Dielectric spectroscopy, chemistry, Grain boundary, 0210 nano-technology
Abstract: International audience; In order to obtain acceptable performances in SOFC, relatively high operating temperatures (~850–1000 °C) are required. That is mainly due to the low ionic conductivity of YSZ electrolyte. These temperature conditions are at the origin of the cell degradation, which justify the search for alternative electrolytes presenting the same performances but at lower temperature (~800 °C). It is in this context that the oxyapatites of general formula La10−xSi6−yAlyO27−3x/2−y/2 (x = 0, 0.67; y = 0.25, 0.50, 0.75) are studied in this work. The solid solutions are prepared by sintering the oxide powders at 1600 °C. All samples have shown a hexagonal structure with an increase in the cell parameters with the aluminium content. Electrical properties are determined by impedance spectroscopy between 169 and 790 °C. The results are treated by separating the bulk and grain boundary conductivities between 169 and 500 °C and in the form of total (bulk + grain boundary) conductivity between 500 and 790 °C. The respective influences of the activation energy and the pre-exponential factor on conductivity are analyzed. Activation energies are about 0.65 eV suggesting an interstitial mechanism. No variation of conductivity is observed with the oxygen partial pressure. Finally, La10Si5.5Al0.5O26.75 shows conductivity higher than that of YSZ at intermediate temperature.
Published: 2008
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22. Growth of gold nanoparticles at gelatin-silica bio-interfaces

Author: Imen Bensaid, Sylvie Masse, Shemseddine Fessi, Mohamed Selmane, Thibaud Coradin, Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie des Matériaux et Catalyse, Département de Chimie-Faculté des Sciences Mathématiques, Physiques et Naturelles de Tunis (FST), Université de Tunis El Manar (UTM)-Université de Tunis El Manar (UTM), Matériaux et Biologie (MATBIO), and Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: food.ingredient, Materials science, lcsh:Biotechnology, Nanoparticle, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Gelatin, law.invention, Colloid, food, law, Phase (matter), lcsh:TP248.13-248.65, General Materials Science, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Crystallization, General Engineering, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Electrostatics, lcsh:QC1-999, 0104 chemical sciences, Nanolithography, Colloidal gold, 0210 nano-technology, lcsh:Physics
Abstract: International audience; The growth of gold nanoparticles via chemical reduction of HAuCl4 dispersed in gelatin-silicate mixtures was studied. Gelatin leads to densely packed nanoparticles whereas open colloidal aggregates with tight boundaries are formed within silica. Within the bio-hybrid systems, gold species are located within the gelatin-silicate particles and/or within the gelatin phase, depending on the preparation conditions. These various localizations and their impact on the final nanoparticle structure are discussed considering attractive and repulsive electrostatic interactions existing between the three components. These data suggest that bio-hybrid systems are interesting and versatile interfaces to study crystallization processes in confined environments.
Published: 2016
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23. Phase boundary between Na–Si clathrates of structures I and II at high pressures and high temperatures

Author: Z. Jouini, H. Moutaabbid, Y. Le Godec, Mohamed Mezouar, Nicolas Guignot, Oleksandr O. Kurakevych, Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Muséum national d'Histoire naturelle (MNHN)-Centre National de la Recherche Scientifique (CNRS), Laboratoire des Applications de la Chimie aux Ressources et Substances Naturelles et à l'Environnement (LACReSNE), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, European Synchrotron Radiation Facility (ESRF), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), and Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS)
Subjects: Phase boundary, Materials science, Silicon, Clathrate hydrate, FOS: Physical sciences, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, law.invention, Inorganic Chemistry, Metal, law, General Materials Science, Crystallization, Phase diagram, [PHYS]Physics [physics], Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), 021001 nanoscience & nanotechnology, Alkali metal, 0104 chemical sciences, Crystallography, chemistry, visual_art, Halogen, visual_art.visual_art_medium, 0210 nano-technology, Письма в редакцию
Abstract: Understanding of the covalent clathrate formation is a crucial point for the design of new superhard materials with intrinsic coupling of superhardness and metallic conductivity. It has been found that silicon clathrates have the archetype structures, which can serve an existent model compounds for superhard clathrate frameworks Si–B, Si–C, B–C and C with intercalated atoms (e.g., alkali metals or even halogens) that can assure the metallic properties. Here we report our in situ and ex situ studies of high-pressure formation and stability of clathrates Na₈Si₄₆ (structure I) and Na₂₄₊xSi₁₃₆ (structure II). Experiments have been performed using standard Paris–Edinburgh cells (opposite anvils) up to 6 GPa and 1500 K. We have established that chemical interactions in the Na–Si system and transition between two structures of clathrates occur at temperatures below silicon melting. The strong sensitivity of crystallization products to the sodium concentration has been observed. A tentative diagram of clathrate transformations has been proposed. At least up to ~ 6 GPa, Na₂₄₊xSi₁₃₆ (structure II) is stable at lower temperatures as compared to Na₈Si₄₆ (structure I). Изучен in situ и ex situ процесс образования при высоких давлениях и стабильности клатратов Na₈Si₄₆ (структура I) и Na₂₄₊xSi₁₃₆ (структура II). Эксперименты были проведены в стандартных Париж-Эдинбургских ячейках (opposite anvils) при давлениях и температурах до 6 ГПа и 1500 K соответственно. Установлено, что химическое взаимодействие в системе Na–Si и переходы между двумя структурами клатратов происходят при температурах ниже температуры плавления кремния. Предложено первое приближение диаграммы превращений клатратов. Отмечена большая чувствительность продуктов кристаллизации к концентрации натрия. Na₂₄₊xSi₁₃₆ (структура II) является стабильной при более низких температурах по сравнению с Na₈Si₄₆ (структура I), по крайней мере до ~ 6 ГПа. Вивчено in situ і ex situ процес утворення при високих тисках і стабільності клатратів Na₈Si₄₆ (структура I) і Na₂₄₊xSi₁₃₆ (структура II). Експерименти було проведено в стандартних Париж-Единбурзький комірках (opposite anvils) при тисках і температурах до 6 ГПа і 1500 K відповідно. Встановлено, що хімічна взаємодія в системі Na–Si і переходи між двома структурами клатратов відбуваються при температурах нижче температури плавлення кремнію. Запропоновано перше наближення діаграми перетворень клатратів. Відзначено велику чутливість продуктів кристалізації до концентрації натрію. Na₂₄₊xSi₁₃₆ (структура II) є стабільною при більш низьких температурах у порівнянні з Na₈Si₄₆ (структура I), принаймні до ~ 6 ГПа.
Published: 2016
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24. Microfluidic separation of magnetic nanoparticles on an ordered array of magnetized micropillars

Author: F Doutre, Alain Meunier, Xavier Noblin, Claire Lomenech, Andrey Zubarev, H. Ezzaier, Laurent Robert, G Orlandi, Georges Bossis, Guillaume Sandoz, Y Izmaylov, Pavel Kuzhir, J. Alves Marins, Laboratoire de physique de la matière condensée (LPMC), Centre National de la Recherche Scientifique (CNRS)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Laboratory of Physics of Lamellaires Materials and Hybrids Nanomaterials, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, 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 Biologie Valrose (IBV), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Côte d'Azur (UCA)-Centre National de la Recherche Scientifique (CNRS), Department of Mathematical Physics, Ural State University, Université Nice Sophia Antipolis (1965 - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-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), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and Kuzhir, Pavel
Subjects: Materials science, EFFICIENCY, [SPI.GPROC] Engineering Sciences [physics]/Chemical and Process Engineering, Microfluidics, Nanoparticle, Nanotechnology, 02 engineering and technology, CAPTURE EFFICIENCY, 010402 general chemistry, 01 natural sciences, Molecular physics, MAGNETISM, NANOPARTICLE CHAINS, THEORETICAL MODELING, BROWNIAN MOVEMENT, UNIFORM MAGNETIC FIELDS, NANOPARTICLES, [PHYS.MECA.MEFL] Physics [physics]/Mechanics [physics]/Fluid mechanics [physics.class-ph], [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, [PHYS.MECA.MEFL]Physics [physics]/Mechanics [physics]/Fluid mechanics [physics.class-ph], Scaling, Range (particle radiation), MICROFLUIDICS, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Volumetric flow rate, Magnetic field, MAGNETIC NANO-PARTICLES, NANOMAGNETICS, Magnetic nanoparticles, 0210 nano-technology, MAGNETIC ATTRACTIVE FORCE, MICROFLUIDIC CHANNEL, Magnetic dipole–dipole interaction, FLOW OF FLUIDS, MICROFLUIDIC SEPARATIONS
Abstract: Microfluidic separation of magnetic particles is based on their capture by magnetized microcollectors while the suspending fluid flows past the microcollectors inside a microchannel. Separation of nanoparticles is often challenging because of strong Brownian motion. Low capture efficiency of nanoparticles limits their applications in bioanalysis. However, at some conditions, magnetic nanoparticles may undergo field-induced aggregation that amplifies the magnetic attractive force proportionally to the aggregate volume and considerably increases nanoparticle capture efficiency. In this paper, we have demonstrated the role of such aggregation on an efficient capture of magnetic nanoparticles (about 80 nm in diameter) in a microfluidic channel equipped with a nickel micropillar array. This array was magnetized by an external uniform magnetic field, of intensity as low as 6-10 kA/m, and experiments were carried out at flow rates ranging between 0.3 and 30 μL/min. Nanoparticle capture is shown to be mostly governed by the Mason number Ma, while the dipolar coupling parameter α does not exhibit a clear effect in the studied range, 1.4 < α < 4.5. The capture efficiency Λ shows a strongly decreasing Mason number behavior, Λ?Ma-1.78 within the range 32 ≤ Ma ≤ 3250. We have proposed a simple theoretical model which considers destructible nanoparticle chains and gives the scaling behavior, Λ?Ma-1.7, close to the experimental findings. © 2016 American Physical Society.
Published: 2016
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25. m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis

Author: Sofian Gatfaoui, Afef Guesmi, Thierry Roisnel, Houda Marouani, LSSMI, Departement de Chimie, Faculte des Sciences de Bizerte, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Carthage - University of Carthage, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Surface (mathematics), crystal structure, Stereochemistry, Salt (chemistry), Crystal structure, sulfate, 010402 general chemistry, 010403 inorganic & nuclear chemistry, 01 natural sciences, Research Communications, chemistry.chemical_compound, m-xylylenediaminium, hirshfeld surface analysis, [CHIM]Chemical Sciences, General Materials Science, Physics::Chemical Physics, Sulfate, chemistry.chemical_classification, Crystallography, Hydrogen bond, General Chemistry, Condensed Matter Physics, hydrogen bonding, fingerprint maps, 0104 chemical sciences, chemistry, QD901-999
Abstract: The crystal structure of the title salt consists of infinite (100) sheets of alternating organic and inorganic entities The m-xylylenediaminium cations are linked to the sulfate anions by N—H⋯O and asymmetric bifurcated N—H⋯(O,O) hydrogen bonds, generating a three-dimensional network. The Hirshfeld surface analysis and the two-dimensional fingerprint maps indicate that the packing is dominated by H⋯O/O⋯H and H⋯H contacts., The crystal structure of the title salt {systematic name: [1,3-phenylenebis(methylene)]bis(azanium) sulfate}, C8H14N2 2+·SO4 2−, consists of infinite (100) sheets of alternating organic and inorganic entities The m-xylylenediaminium cations are linked to the sulfate anions by N—H⋯O and asymmetric bifurcated N—H⋯(O,O) hydrogen bonds, generating a three-dimensional network. A weak C—H⋯O interaction also occurs. The Hirshfeld surface analysis and the two-dimensional fingerprint maps indicate that the packing is dominated by H⋯O/O⋯H and H⋯H contacts.
Published: 2016
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26. Correction: Formal [3+2] cycloaddition of Ugi adducts towards pyrrolines

Author: Andrii Khomenko, Abdelbari Ben Abdessalem, Aurélie Dos Santos, Laurent El Kaim, Raoudha Abderrahim, Asma Agrebie, Laboratoire de synthèse organique (DCSO), École polytechnique (X)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratory of Physics of Lamellaires Materials and Hybrids Nanomaterials, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, and École Nationale Supérieure de Techniques Avancées (ENSTA Paris)
Subjects: 010405 organic chemistry, Stereochemistry, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Metals and Alloys, General Chemistry, 010402 general chemistry, 01 natural sciences, Catalysis, Cycloaddition, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Adduct, Materials Chemistry, Ceramics and Composites
Abstract: Correction for ‘Formal [3+2] cycloaddition of Ugi adducts towards pyrrolines’ by Abdelbari Ben Abdessalem et al., Chem. Commun., 2015, 51, 1116–1119.
Published: 2015
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27. Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic–inorganic hybrid material: [C6H16N2]2(BiBr6)NO3

Author: Manel Essid, Mohamed Rzaigui, Thierry Roisnel, Houda Marouani, LSSMI, Departement de Chimie, Faculte des Sciences de Bizerte, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Carthage - University of Carthage, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Infrared spectroscopy, Crystal structure, 010402 general chemistry, 010403 inorganic & nuclear chemistry, 01 natural sciences, Physical Chemistry, Analytical Chemistry, Hydrogen bonds, Inorganic Chemistry, NMR spectroscopy, Theoretical and Computational Chemistry, [CHIM]Chemical Sciences, Chemistry/Food Science, Hydrogen bond, Chemistry, Organic Chemistry, General Chemistry, Nuclear magnetic resonance spectroscopy, 0104 chemical sciences, Crystallography, general, IR spectroscopy, Physical organic chemistry, Orthorhombic crystal system, Hybrid material, Single crystal
Abstract: International audience; A novel organic–inorganic hybrid material, [C6H16N2]2(BiBr6)NO3, was synthesized, and its structure was determined by means of single crystal X-ray diffraction studies at room temperature in the non-centrosymmetric orthorhombic space group P21212 with the following parameters: a = 17.629(5) Å, b = 20.279(5) Å, c = 7.319(5) Å, and Z = 4. The crystal lattice is composed of discrete hexabromobismuthates and nitrate anions surrounded by trans-2,5-dimethylpiperazine-1,4-diium cations linked via simple and bifurcated N–H···Br(O) and weak C–H···Br(O) hydrogen bonds to form three-dimensional network. The vibrational spectrum has been measured at room temperature by FT-IR spectroscopy (4000–400 cm−1) on polycrystalline samples, shows the presence of organic cation and nitrate anion. The number of 13C CP-MAS NMR lines is in full agreement with the crystallographic data. Graphical abstract
Published: 2015
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28. Formal [3+2] cycloaddition of Ugi adducts towards pyrrolines

Author: Laurent El Kaim, Raoudha Abderrahim, Aurélie Dos Santos, Asma Agrebie, Abdelbari Ben Abdessalem, Andrew Komesky, Laboratoire de synthèse organique (DCSO), École polytechnique (X)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratory of Physics of Lamellaires Materials and Hybrids Nanomaterials, Faculté des Sciences de Bizerte [Université de Carthage], and Université de Carthage - University of Carthage-Université de Carthage - University of Carthage
Subjects: Cycloaddition Reaction, Molecular Structure, 010405 organic chemistry, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Metals and Alloys, Azomethine ylide, General Chemistry, 010402 general chemistry, 01 natural sciences, Amides, Catalysis, Cycloaddition, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Adduct, Cyclization, Microwave irradiation, Materials Chemistry, Ceramics and Composites, Organic chemistry, Pyrroles, Microwaves
Abstract: International audience; Ugi adducts derived from aromatic aldehydes may be converted to pyrrolines via addition of Michael acceptors under microwave irradiation. The reaction may proceed via unusual formation of azomethine ylides followed by a [3+2] cycloaddition using Michael acceptors.
Published: 2014
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29. Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate

Author: Manel Essid, Houda Marouani, Thierry Roisnel, LSSMI, Departement de Chimie, Faculte des Sciences de Bizerte, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Université de Carthage - University of Carthage, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Cyclohexane conformation, Salt (chemistry), 010402 general chemistry, 010403 inorganic & nuclear chemistry, Bioinformatics, Ring (chemistry), 01 natural sciences, Medicinal chemistry, Crystal, lcsh:Chemistry, chemistry.chemical_compound, [CHIM]Chemical Sciences, General Materials Science, ComputingMilieux_MISCELLANEOUS, Metal-Organic Papers, chemistry.chemical_classification, biology, Hydrogen bond, General Chemistry, Condensed Matter Physics, biology.organism_classification, 3. Good health, 0104 chemical sciences, Piperazine, chemistry, lcsh:QD1-999, Tetra, Methyl group
Abstract: In the title hydrated salt, (C5H14N2)2[Bi2Br10]·2H2O, the complete [Bi2Br10]4−bioctahedron is generated by crystallographic inversion symmetry. The diprotonated piperazine ring adopts a chair conformation, with the methyl group occupying an equatorial position. In the crystal, the tetraanions and water molecules are linked by O—H...Br and O—H...(Br,Br) hydrogen bonds to generate [100] chains. The chains are crosslinked by N—H...Br, N—H...O and C—H...Br hydrogen bonds originating from the piperazinediium dications, thereby forming a three-dimensional network.
Published: 2014
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30. Preparation of Cu-doped ZnS QDs/TiO2nanocomposites with highphotocatalytic activity

Author: Raphaël Schneider, Ghouti Medjahdi, Nidhal Becheik, Serge Corbel, Tahar Ben Chaabane, Lavinia Balan, Houcine Labiadh, Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Photomatériaux pour l'Optique et les Nanotechnologies (PHOTON LRC 7228), Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA)), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut Jean Lamour (IJL), and Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Anatase, Materials science, Inorganic chemistry, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Catalysis, chemistry.chemical_compound, Oxidation, Photocatalysis, General Environmental Science, Aqueous solution, Nanocomposite, Quantum dots, Process Chemistry and Technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Nanocrystal, chemistry, Quantum dot, Transmission electron microscopy, Titanium dioxide, Cu-doped zinc sulfide, 0210 nano-technology, Nuclear chemistry
Abstract: International audience; Cu-doped ZnS quantum dots (QDs) were synthesized in aqueous solution using 3-mercaptopropionic acid (MPA) as stabilizer. Transmission electron microscopy (TEM) results indicate that the Cu:ZnS nanocrystals distribute uniformly and the size is ca. 2.9 ± 0.5 nm. These nanocrystals were successfully associated to anatase TiO2 nanoparticles to yield TiO2/Cu:ZnS photocatalysts. Morphological and optical properties of TiO2/Cu:ZnS nanocomposites were characterized by X-ray diffraction (XRD) analysis, TEM, and UV-vis and fluorescence spectroscopies. Photocatalytic activities of TiO2/Cu:ZnS nanocomposites were evaluated by the oxidation of salicylic acid aqueous solutions under UV light irradiation. Enhanced performances compared either to pure TiO2 nanoparticles or to undoped TiO2/ZnS nanocomposites were observed. Effects of the mass ratio of the TiO2and Cu:ZnS and of the pH of the aqueous solution containing salicylic acid on the photocatalytic activities of TiO2 nanoparticles sensitized with Cu:ZnS QDs were also investigated.
Published: 2013
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31. Aqueous route to color-tunable Mn-doped ZnS quantum dots

Author: Jaafar Ghanbaja, Houcine Labiadh, Sebastian Mackowski, Raphaël Schneider, Fadi Aldeek, David Piatkowski, Tahar Ben Chaabane, Jacques Lalevée, Unité de Recherche UR11ES30 de Synthèse et Structures de Nanomatériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Service des maladies infectieuses, Hôpital La Rabta [Tunis], Institute of Physics - Optics of Hybrid Nanostructures Group (IoP), Nicolaus Copernicus University [Toruń], Institut de Science des Matériaux de Mulhouse (IS2M), Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Photoluminescence, Luminescence, Analytical chemistry, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, General Materials Science, Chemical synthesis, Dopant, Optical properties, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Zinc sulfide, 0104 chemical sciences, Nanostructures, chemistry, Nanocrystal, Semiconductors, Transmission electron microscopy, Quantum dot, Quantum efficiency, 0210 nano-technology
Abstract: International audience; Mn-doped zinc sulfide (Mn:ZnS) quantum dots stabilized by 3-mercaptopropionic acid (MPA) were synthesized at 100°C in basic aqueous solution using the nucleation-doping strategy. The optical properties and structure of the obtained Mn:ZnS d-dots have been characterized by UV-vis, photoluminescence (PL) and time-resolved PL spectroscopies, transmission electron microscopy (TEM), X-ray diffraction (XRD), and electron spin resonance (ESR). The obtained nearly monodisperse Mn:ZnS@MPA QDs were found to be of spherical shape with an average diameter of ca. 2.5 nm and with a zinc-blende crystal structure. By varying the base (LiOH, NaOH, KOH, CsOH) used to deprotonate the MPA ligand and adjust the pH of the aqueous solution to 11, the PL emission wavelengths can be tuned within a relatively large optical window, from 567 to 594 nm. The variations of charge density near the surface of the QDs obtained by changing the cation associated to the MPA ligand and of the dopant location in the ZnS host are at the origin of the PL shifts observed. In order to improve the PL emission efficiency, a ZnS shell was subsequently overcoated around the Mn:ZnS core nanocrystals. With ZnS shell growth, the PL emission wavelength was restricted between 570 and 583 nm but PL quantum efficiency of Mn:ZnS/ZnS core/shell nanocrystals increased up to 18.4 %.
Published: 2013
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32. Synthesis, characterization, and computational survey of a novel material template o-xylylenediamine

Author: Noureddine Issaoui, Thierry Roisnel, Meriam Tahenti, Houda Marouani, Université de Carthage - University of Carthage, Université de Monastir - University of Monastir (UM), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)
Subjects: Materials science, Aqueous solution, 010405 organic chemistry, Hydrogen bond, RDG, General Chemistry, 010402 general chemistry, DFT, 01 natural sciences, X-ray diffraction, 0104 chemical sciences, Crystal, Crystallography, X-ray crystallography, [CHIM]Chemical Sciences, Molecule, Density functional theory, Orthorhombic crystal system, Spectroscopy, Photoluminescence, Hirshfeld Surface
Abstract: International audience; A new salt Bis(o-xylylenediammonium) tetrachloride monohydrate, denoted by OXDACl, produces a novel organic-inorganic compound with centrosymmetric property, prepared by slow evaporation technique in an aqueous solution. This one has been assumed a pattern in the orthorhombic Pnma space group, and the following crystallographic parameters obtained are a = 9.0677(9) angstrom, b = 24.282 (2) angstrom, c = 9.4726 (8) angstrom, V = 2085.7 (3)angstrom(3) and Z = 4, at 150 K. It is investigated by X-ray diffraction, fluorescence, infrared, and UV-visible spectroscopy. The crystal wrap is endorsed by the O-H center dot center dot center dot Cl, N-H center dot center dot center dot Cl hydrogen bond interactions among the organic network and the inorganic one, which stabilize the crystal packing. Besides to get a perception into the attitude of these interconnections, Hirshfeld surfaces analysis have been scrutinized. Computational calculations were performed, employing density functional theory (DFT), and were made by comparison with the experimentally determined structure to examine the molecular structure with geometrical optimization, vibrational, and topological parameters of OXDACl by B3LYP/6-311 + + G(d,p) basis.
Published: 2021
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33. Highly hydrophilic surfaces from polyglycidol grafts with dual antifouling and specific protein recognition properties

Author: Mireille Turmine, Teresa Basinska, Sandrine Lépinay, Mohamed M. Chehimi, Dalila Ben Hassen-Chehimi, Monika Gosecka, Marie-Claude Millot, Benjamin Carbonnier, Stanislaw Slomkowski, Sarra Gam-Derouich, Ali Othmane, Interfaces, Traitements, Organisation et Dynamique des Systèmes (ITODYS (UMR_7086)), Université Paris Diderot - Paris 7 (UPD7)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Center of Molecular and Macromolecular Studies, Polska Akademia Nauk = Polish Academy of Sciences (PAN), Institut de Chimie et des Matériaux Paris-Est (ICMPE), Institut de Chimie du CNRS (INC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interfaces et Systèmes Electrochimiques (LISE), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de recherches sur les polymères (LRP), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Biophysique [Monastir], Faculté de Médecine de Monastir [Tunisie], Laboratoire d'Application de la Chimie aux Ressources et Substances Naturelles et à l'Environnement, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7), Polska Akademia Nauk (PAN), Laboratoire de biophysique, and Faculté des Sciences de Bizerte
Subjects: ADSORPTION, Biofouling, Surface Properties, TRANSFER RADICAL POLYMERIZATION, 02 engineering and technology, (Hydroxyethyl)methacrylate, 010402 general chemistry, 01 natural sciences, AQUEOUS-SOLUTION, GAMMA-GLOBULINS, Contact angle, chemistry.chemical_compound, Adsorption, SELF-ASSEMBLED MONOLAYERS, Polymer chemistry, Electrochemistry, Animals, General Materials Science, Particle Size, Bovine serum albumin, Surface plasmon resonance, BOVINE SERUM-ALBUMIN, Spectroscopy, GRADIENT APPROXIMATION FUNCTIONALS, Aqueous solution, Molecular Structure, biology, EXACT-EXCHANGE, Chemistry, DENSITY-FUNCTIONAL THERMOCHEMISTRY, Serum Albumin, Bovine, Self-assembled monolayer, Surfaces and Interfaces, Stainless Steel, 021001 nanoscience & nanotechnology, Condensed Matter Physics, DIAZONIUM SALTS, 0104 chemical sciences, Photopolymer, Propylene Glycols, biology.protein, Cattle, Gold, 0210 nano-technology, [CHIM.OTHE]Chemical Sciences/Other
Abstract: International audience; Homopolymer grafts from α-tert-butoxy-ω-vinylbenzyl-polyglycidol (PGL) were prepared on gold and stainless steel (SS) substrates modified by 4-benzoyl-phenyl (BP) moieties derived from the electroreduction of the parent salt 4-benzoyl benzene diazonium tetrafluoroborate. The grafted BP aryl groups efficiently served to surface-initiate photopolymerization (SIPP) of PGL. In similar conditions, SIPP of hydroxyethyl methacrylate (HEMA) permitted the production of PHEMA grafts as model surfaces. Water contact angles were found to be 66°, 15°, and 0° for SS-BP, SS-PHEMA, and SS-PPGL, respectively. The spontaneous spreading of water drops on SS-PPGL was invariably observed with 1.5 μL water drops. PPGL thus appears as a superhydrophilic polymer. Resistance to nonspecific adsorption of proteins of PPGL and PHEMA grafts on gold was evaluated by surface plasmon resonance (SPR) using antibovine serum albumin (anti-BSA). The results conclusively show that PPGL-grafts exhibit enhanced resistance to anti-BSA adsorption compared to the well-known hydrophilic PHEMA. PPGL grafts were further modified with BSA through the carbonyldiimidazole activation of the OH groups providing immunosensing surfaces. The so-prepared PPGL-grafted BSA hybrids specifically interacted with anti-BSA in PBS as compared to antimyoglobin. It is clear that the superhydrophilic character of PPGL grafts opens new avenues for biomedical applications where surfaces with dual functionality, namely, specific protein grafting together with resistance to biofouling, are required.
Published: 2011
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34. Impact of Changing the Core in Tetrapyrrolic Dendrimers Designed for Oxygen Sensitization: New Fluorescent Phthalocyanine-Based Dendrimers with High Two-Photon Absorption Cross-sections

Author: Nicolas Richy, Sarra Ben Hassine, Bassem Jamoussi, Olivier Mongin, Seifallah Abid, Franck Camerel, Mireille Blanchard-Desce, Frédéric Paul, Zhipeng Sun, Christine O. Paul-Roth, Université de Carthage - University of Carthage, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), University of Tunis El Manar, King Abdulaziz University, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), The authors acknowledge CNRS for their financial support and 'the Ministère de l’Enseignement Supérieur et de la Recherche Scientifique de Tunisie' for PhD funding (SA and SB) as well as China Scholarship Council (CSC) for PhD funding (ZS). This project was supported by the departmental committees CD35, CD49, and CD28 of the 'Ligue contre le Cancer du Grand-Ouest'. We also thank Guillaume Clermont (ISM) for his help in the two-photon and singlet oxygen measurements. This work was granted access to the high-performance computing resources of CINES (Montpellier, France) under allocation 2020-A0080805032 awarded by GENCI., Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Polymers and Plastics, Conjugated system, 010402 general chemistry, Photochemistry, 7. Clean energy, 01 natural sciences, Two-photon absorption, Absorption, Inorganic Chemistry, chemistry.chemical_compound, Dendrimer, Materials Chemistry, [CHIM]Chemical Sciences, Molecule, Dendrons, 010405 organic chemistry, Organic Chemistry, Phthalocyanine, Molecules, Fluorescence, Porphyrin, 0104 chemical sciences, Oxygen, chemistry, Macromolecule
Abstract: International audience; In the continuation of our sustained interest for porphyrin-based dendrimers and their use as luminescent photo-sensitizers for two-photon photodynamic therapy (2P-PDT), we wondered about the effect of changing the central porphyrin core for a phthalocyanine core in these macromolecular structures. Thus, related phthalocyanine-based dendrimers possessing up to 16 conjugated 9,9-dibutyl-2-fluorenyl endgroups at their periphery were now prepared and studied. As for porphyrin analogues, it was found that an efficient energy transfer occurs from the peripheral fluorenyl units toward the central phthalocyanine unit of these compounds, leading to intense red light emission and photosensitization of oxygen. While the linear optical properties of these new dendrimers are only slightly improved compared to those of their porphyrin-cored analogues for PDT and fluorescence imaging, their two-photon absorption (2PA) cross-sections are much more significantly boosted, evidencing the key role played by the central tetrapyrrolic unit in this respect. The impact of this structural change in relation with the impact resulting from the change in dendrimer generations is then discussed with the help of DFT and molecular dynamic calculations.
Published: 2021
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35. Selectivity of Na–montmorillonite in relation with the concentration of bivalent cation (Cu2+, Ca2+, Ni2+) by quantitative analysis of XRD patterns

Author: H. Ben Rhaiem, Walid Oueslati, A. Ben Haj Amara, Bruno Lanson, Laboratoire de Physique des Matériaux Lamellaires et Nano Matériaux Hybrides (PMLNMH), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratoire de Géophysique Interne et Tectonophysique (LGIT), Laboratoire Central des Ponts et Chaussées (LCPC)-Observatoire des Sciences de l'Univers de Grenoble (OSUG), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut national des sciences de l'Univers (INSU - CNRS)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut national des sciences de l'Univers (INSU - CNRS)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Faculté des Sciences de Bizerte, Observatoire des Sciences de l'Univers de Grenoble (OSUG), Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Laboratoire Central des Ponts et Chaussées (LCPC)-Institut des Sciences de la Terre (ISTerre), and Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-PRES Université de Grenoble-Institut de recherche pour le développement [IRD] : UR219-Institut national des sciences de l'Univers (INSU - CNRS)-Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux (IFSTTAR)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-PRES Université de Grenoble-Institut de recherche pour le développement [IRD] : UR219-Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux (IFSTTAR)
Subjects: inorganic chemicals, Inorganic chemistry, Geology, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Silicate, Bivalent (genetics), 0104 chemical sciences, chemistry.chemical_compound, Montmorillonite, Reference sample, chemistry, Heavy metals, Geochemistry and Petrology, Qualitative inorganic analysis, Selectivity, Smectite, 0210 nano-technology, Saturation (chemistry), Clay minerals, XRD analysis
Abstract: This paper aims at characterizing the structural evolution and the selectivity of a dioctahedral smectite (i.e. Wyoming montmorillonite) saturated with two different couples of cations. A reference sample was prepared by saturation with Ca 2+ , Cu 2+ or Ni 2+ . The clay was dispersed in solutions of (Ca 2+ and Cu 2+ ) or (Cu 2+ and Ni 2+ ). The quantitative analysis of XRD patterns is achieved using an indirect method based on the comparison of XRD experimental patterns to calculated ones. The XRD quantitative analysis shows that for low concentrations of cations the basal spacing value corresponds to Wy–Cu, whereas for high concentration the d 001 spacing value can be attributed to Wy–Ca or Wy–Ni. At low concentrations, the exchangeable sites were saturated with low hydration-state cations (i.e.Cu 2+ ) which is characterized by one water layer, whereas at high concentrations, the clay fixes the cations with high hydration state (i.e. Ca 2+ or Ni 2+ ) characterised by a two water layers.
Published: 2009
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36. Mechanism of growth of MgO and CaCO3 during a dolomite partial decomposition

Author: Michèle Pijolat, Haikel Galai, Malika Trabelsi-Ayadi, Kais Nahdi, Laboratoire des Applications de la Chimie aux Ressources et Substances Naturelles et à l'Environnement (LACReSNE), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratoire des Procédés en Milieux Granulaires (LPMG-EMSE), École des Mines de Saint-Étienne (Mines Saint-Étienne MSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-Centre National de la Recherche Scientifique (CNRS), Département Procédés et évolution des systèmes avec solides (ProcESS-ENSMSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-SPIN, Centre Sciences des Processus Industriels et Naturels (SPIN-ENSMSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), and Faculté des Sciences de Bizerte
Subjects: Step-diffusion, Diffusion, Dolomite, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, Calorimetry, 010402 general chemistry, 01 natural sciences, Isothermal process, X-ray photoelectron spectroscopy, Phase (matter), Rate-limiting, General Materials Science, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Isothermal isobaric experiments, Chemistry, Magnesium, General Chemistry, Kinetic model, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Thermogravimetry, Physical chemistry, 0210 nano-technology
Abstract: The kinetics of the dolomite partial decomposition into MgO and CaCO 3 have been investigated using isothermal and isobaric thermogravimetry ( T = 953 K, CO 2 pressure in the range 0.025–0.4 atm). The characterization of the reaction products using XRD, SEM and XPS indicated that fine particles of MgO are formed at the surface of the initial dolomite needles. The elucidation of the mechanism of growth and of the rate-limiting step was based on a series of experiments devoted first to verify the steady-state assumption (by coupling thermogravimetry to calorimetry), second to verify the existence of a rate-limiting step, and third to determine the variations of the areic growth reactivity, ϕ , in mol m − 2 s − 1 , as a function of CO 2 pressure. A growth mechanism in eight elementary steps, involving interface and diffusion steps has been proposed. By comparing the experimental results to the possible rate laws calculated from the mechanism on the assumption of a rate-limiting step, it was found that the growth of MgO and CaCO 3 can be controlled by the diffusion of magnesium through the MgO phase surface.
Published: 2007
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37. Étude des propriétés électriques de l'interface La0,80 Sr0,20 MnO3±δ – Y0,08 Zr0,92 O1,96 nanométrique

Author: Abdelmonaem Touati, H. Boussetta, Abdelkader Hammou, A. Madani, Institut Supérieur des Sciences Appliquées et de Technologie de Mateur (ISSATM), Laboratoire de Physique des Matériaux, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage-Université de Carthage - University of Carthage, Laboratoire d'Electrochimie et de Physico-chimie des Matériaux et des Interfaces (LEPMI ), and Institut de Chimie du CNRS (INC)-Institut National Polytechnique de Grenoble (INPG)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Université Joseph Fourier - Grenoble 1 (UJF)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, Analytical chemistry, Oxide, General Physics and Astronomy, 02 engineering and technology, Electrolyte, Activation energy, [CHIM.MATE]Chemical Sciences/Material chemistry, Conductivity, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Grain size, 0104 chemical sciences, Dielectric spectroscopy, chemistry.chemical_compound, chemistry, Electrode, Ionic conductivity, 0210 nano-technology
Abstract: International audience; Des mesures de conductivité de LSM20 ont été effectuées sous air en fonction de la température (375 à 1273 °K) par la méthode des 4 points. Les échantillons ont été préparés par réaction à l'état solide à partir de mélanges de La2O3, MnCO3 et SrCO3 et frittés à 1673 °K. Les résultats obtenus montrent que la conductivité obéit à une loi de type σ = AT 3/2 exp (–(Ea/kT)) représentative d'un mécanisme de saut activé entre les sites Mn3+ et Mn4+. Des mesures de l'impédance en fonction de la température et de la pression partielle de l'oxygène de l'interface LSM20–n (nanométrique) YZ8 ont été réalisées sur des cellules symétriques avec deux électrodes de LSM20. Les valeurs de la conductivité de l'électrolyte sont très proches de celles obtenues avec des électrodes d'argent (Ag–nYZ8), ce qui montre que la réponse de l'électrolyte est indépendante de la nature du matériau d'électrode. L'étude de la conductivité de l'électrode en fonction de la température donne une énergie d'activation égale à 1,67 eV légèrement inférieure à celles avancées par d'autres auteurs. Le caractère nanométrique de l'électrolyte pourrait être à l'origine de cet écart. La variation de la conductivité de l'électrode en fonction de la pression de l'oxygène obéit à une loi de type σ = σ0 PO21/2 suggérant que l'étape limitante de la réaction d'électrode est l'adsorption dissociative de O2 par le matériau d'électrode. Conductivity of perovskite-type oxide LSM20 was measured in air for different temperatures (375–1273 °K) using the 4 point method. LSM20 was prepared by solid-state reaction starting from mixtures of La2O3, MnCO3, and SrCO3 and sintered at 1673 °K. The results show that conductivity obeys the following law: σ = AT 3/2 exp(–(Ea/kT)), which is representative of an activated jump mechanism between Mn3+ and Mn4+ sites. The LSM20–n (nanometric)YZ8 interface was characterized by impedance spectroscopy. Symmetrical cells with two LSM20 electrodes were used. The electrolyte conductivity values are very close to those obtained with silver electrodes (Ag–nYZ8) showing that the electrolyte response is independent of the nature of the electrode material. The study of the electrode conductivity versus temperature shows an activation energy equal to 1.67 eV slightly lower than that observed by other authors. The nanometric grain size of the electrolyte could be at the origin of this difference. The variation of the electrode conductivity versus oxygen partial pressure is described by the following law σ = σ0 PO21/2, suggesting that the limiting step of the electrode reaction is the dissociative adsorption of O2 on the electrode material.
Published: 2006
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38. Kinetic study of a HGdP2O7.3H2O dehydration step

Author: Haikel Galai, Françoise Valdivieso, Malika Trabelsi-Ayadi, Michèle Pijolat, Département Procédés et évolution des systèmes avec solides (ProcESS-ENSMSE), École des Mines de Saint-Étienne (Mines Saint-Étienne MSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-SPIN, Centre Sciences des Processus Industriels et Naturels (SPIN-ENSMSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), Laboratoire des Procédés en Milieux Granulaires (LPMG-EMSE), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-Centre National de la Recherche Scientifique (CNRS), Département de chimie (LPCM), Faculté des Sciences de Bizerte [Université de Carthage], and Université de Carthage - University of Carthage-Université de Carthage - University of Carthage
Subjects: Kinetic modeling, Chemistry, Vapour pressure of water, Nucleation, Thermodynamics, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Kinetic energy, 01 natural sciences, Isothermal process, 0104 chemical sciences, Thermogravimetry, Reaction rate, Extent of reaction, Physical chemistry, Hydrates, Isothermal gravimetry, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, 0210 nano-technology, Thermal analysis, Instrumentation
Abstract: International audience; A kinetic study of the transformation of HGdP2O7.1.5H2O into HGdP2O7.0.5H2O has been achieved by means of isothermal thermogravimetry experiments under controlled water vapour pressure. This pressure was found to have an accelerating effect upon the rate of reaction. The kinetic curves giving the extent of reaction versus time can be described using a Mampel's model. Via this modeling, values of surfacic growth rate and frequency of nucleation have been determined.
Published: 2004
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39. Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products

Author: Alakbar E. Huseynzada, Christian Jelch, Haji Vahid N. Akhundzada, Sarra Soudani, Cherif Ben Nasr, Aygun Israyilova, Filippo Doria, Ulviyya A. Hasanova, Rana F. Khankishiyeva, Mauro Freccero, Baku State University, Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institute of Radiation Problems, Azerbaijan National Academy of Sciences, Baku, Azerbaijan, Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage, and Università di Pavia
Subjects: 010405 organic chemistry, General Chemical Engineering, [CHIM.CRIS]Chemical Sciences/Cristallography, General Chemistry, 010402 general chemistry, 01 natural sciences, ComputingMilieux_MISCELLANEOUS, 0104 chemical sciences
Abstract: The syntheses and investigations of new biologically active derivatives of dihydropyrimidines by Biginelli reaction in the presence of copper triflate are reported. Due to the fact that salicylaldehyde and its derivatives under Biginelli reaction conditions can lead to the formation of 2 types of dihydropyrimidines, the influence of copper triflate on product formation was also investigated. In addition to this, regioselective oxidation of dihydropyrimidines was performed in the presence of cerium ammonium nitrate and novel oxidized dihydropyrimidines were obtained. Single crystals of some of them were obtained and as a result, the structures of them were investigated by X-ray diffraction method, which allows determining the presence of hydrogen bonds in their structures. In addition to this, the presence of hydrogen bonds in their structures affects the formation of the corresponding tautomer during oxidizing of dihydropyrimidines. Since dihydropyrimidines are claimed to be biologically active compounds, activities of the synthesized compounds were studied against
Published: 2021
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40. Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(o-tolyl)biguanidium chloride

Author: Kamel Kaabi, Christian Jelsch, Emmanuel Wenger, Kacem Klai, Cherif Ben Nasr, Frédéric Lefebvre, Université de Carthage - University of Carthage, Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie, Catalyse, Polymères et Procédés, R 5265 (C2P2), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: bigua- nidium, crystal structure, [PHYS.PHYS.PHYS-BIO-PH]Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph], Infrared spectroscopy, Crystal structure, 010402 general chemistry, 010403 inorganic & nuclear chemistry, Ring (chemistry), 01 natural sciences, Chloride, Inorganic Chemistry, Crystal, chemistry.chemical_compound, [CHIM.CRIS]Chemical Sciences/Cristallography, Materials Chemistry, medicine, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, contact enrichment ratio, Hydrogen bond, Hirshfeld surface, hydrogen bonding, Condensed Matter Physics, 0104 chemical sciences, Crystallography, electrostatic potential, chemistry, IR spectroscopy, Methyl group, Monoclinic crystal system, medicine.drug
Abstract: The structure of the new salt 1-(o-tolyl)biguanidium chloride, C9H14N5 +·Cl−, has been determined by single-crystal X-ray diffraction. The salt crystallizes in the monoclinic space group C2/c. In this structure, the chloride and biguanidium hydrophilic ions are mostly connected to each other via N—H...N and N—H...Cl hydrogen bonds to form layers parallel to the ab plane around y = 1 \over 3 and y = 2 \over 3. The 2-methylbenzyl groups form layers between these layers around y = 0 and y = 1 \over 2, with the methyl group forming C—H...π interactions with the aromatic ring. Intermolecular interactions on the Hirshfeld surface were investigated in terms of contact enrichment and electrostatic energy, and confirm the role of strong hydrogen bonds along with hydrophobic interactions. A correlation between electrostatic energy and contact enrichment is found only for the strongly attractive (N—H...Cl−) and repulsive contacts. Electrostatic energies between ions reveal that the interacting biguanidium cation pairs are repulsive and that the crystal is maintained by attractive cation...Cl− dimers. The vibrational absorption bands were identified by IR spectroscopy.
Published: 2020
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41. A new pyrimidinium tetrachloroferrate(III) salt with a low band gap: Hirshfeld surface analysis, crystal structure and physicochemical studies

Author: Valeria Ferretti, Cherif Ben Nasr, Christian Jelsch, Frédéric Lefebvre, Kamel Kaabi, Université de Carthage - University of Carthage, Laboratoire de Chimie, Catalyse, Polymères et Procédés, R 5265 (C2P2), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École supérieure de Chimie Physique Electronique de Lyon (CPE)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Università degli Studi di Ferrara (UniFE), Cristallographie, Résonance Magnétique et Modélisations (CRM2), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)
Subjects: chemistry.chemical_classification, 010405 organic chemistry, Band gap, Hydrogen bond, Intermolecular force, Infrared spectroscopy, Salt (chemistry), General Chemistry, Crystal structure, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Crystallography, chemistry, Elemental analysis, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, HOMO/LUMO, ComputingMilieux_MISCELLANEOUS
Abstract: The chemical preparation, characterization by single-crystal X-ray diffraction, elemental analysis and IR spectroscopy of the new Fe(III) complex (C5H7.50N3O)2[FeCl4] are reported. The Fe(III) cation is four-coordinated, in tetrahedral fashion, by four chlorine atoms. The [FeCl4]− tetrahedra are located parallel to the (a, b) plane at z = ¼ (2n + 1) between layers of organic cations (C5H7.50N3O)2+. The FeCl4 moieties are inserted between these planes by establishing N–H...Cl and C–H…Cl hydrogen bonds generated by amino and methyl groups as donors and Cl− anions as acceptors to form a three-dimensional network. The organic groups are linked together by N–H...N hydrogen bonds to form chains extending along the [110] direction. These chains are arranged in planes parallel to (a, b) at z = ½n. Intermolecular contacts on the Hirshfeld surface were investigated statistically. The most favored and stabilizing contacts are the strong (N–H…Cl−, N–H…N) hydrogen bonds as well as the weaker ones C–H…Cl−. The vibrational absorption bands were identified by infrared spectroscopy. Electronic properties such as HOMO and LUMO energies were also derived.
Published: 2020
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42. Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study

Author: Silvia Antonia Brandán, Mouna Medimagh, Houda Marouani, Noureddine Issaoui, Omar M. Aldossary, Thierry Roisnel, Sofian Gatfaoui, Aleksandr S. Kazachenko, Université de Carthage - University of Carthage, Université de Monastir - University of Monastir (UM), Universidad Nacional de Tucumán (UNT), King Saud University [Riyadh] (KSU), Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Siberian Federal University (SibFU), King Saud University, Riyadh, Saudi ArabiaKing Saud University [RSP-2021/61], Tunisian National Ministry of Higher Education and Scientific Research, Consejo de Investigaciones, Universidad Nacional de Tucuman [26/D608], Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Hydrogen bond, Organic Chemistry, Intermolecular force, Infrared spectroscopy, Crystal structure, Semiconductor, Triclinic crystal system, 010402 general chemistry, TG-DTA, 01 natural sciences, DFT, 0104 chemical sciences, Analytical Chemistry, X-ray diffraction, Inorganic Chemistry, Crystallography, Molecular docking, Non-covalent interactions, Molecule, [CHIM]Chemical Sciences, HOMO/LUMO, Spectroscopy
Abstract: International audience; 1,3-Benzenedimethanaminium bis(trioxonitrate), denoted by BD(NO3)(2) was prepared and its structure determined by X-ray crystallography. This compound solidifies into the triclinic system and the P2(1)/c space group with the lattice parameters a = 21.4308 (7) angstrom, b = 5.7255 (2) angstrom, c = 20.4476 (5) angstrom, beta = 108.502 (1) degrees, V = 2379.28 (13) angstrom(3), Z = 8, R = 0.047 and Rw = 0.129. In the crystal, the ions are allied by a huge number of N-H center dot center dot center dot O hydrogen bonds, creating layers parallel to (100). These layers are associated by hydrogen bonding type C-H center dot center dot center dot O, endorsing consequently a 3D arrangement. B3LYP/6-311 ++G**calculations were carried out to analyze the structure and properties of BD(NO3)(2). Intermolecular contacts involved in the selection and packaging of the crystalline structure of BD(NO3)(2) were investigated using fingerprint traces of the Hirshfeld surface. HOMO and LUMO analyses explain the charge transfers within the molecule. Topological analysis, RDG, molecular electrostatic potential (MEP) have been processed to calculate the intermolecular H-bonds interactions in detail. Thermal fusion and decomposition were investigated using TG, DTA and DSC measurements. Ionic conduction (H+) has been intentional in the temperature range 323 to 393 K, indicating semiconductor behavior of the material produced. Complete assignments of bands observed in the FTIR spectrum were reported together with the main force constants. The presence of dimeric species is important to explain why the intense bands predicted for the monomer due to N-H center dot center dot center dot O-N interactions are not observed in the experimental IR spectrum. The biological activity of BD(NO3)(2) was accomplished in silico to investigate their antibacterial activity. (C) 2021 Elsevier B.V. All rights reserved.
Published: 2022
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43. Molecular structure, spectroscopy, quantum chemical and antibacterial activity investigations of 2-methylbenzylammonium perchlorate

Author: Omar M. Aldossary, Noureddine Issaoui, Thierry Roisnel, Chaima Daghar, Houda Marouani, Université de Carthage - University of Carthage, Université de Monastir - University of Monastir (UM), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), King Saud University [Riyadh] (KSU), Ministry of Higher Education and Scientific Research, MHEandSR: RSP-2021/61, King Saud University, KSU, Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)
Subjects: 010405 organic chemistry, Chemistry, Hydrogen bond, XRD, Hirshfeld surface, Organic Chemistry, Atoms in molecules, Crystal structure, Antimicrobial activity, 010402 general chemistry, DFT calculations, 01 natural sciences, NMR, 0104 chemical sciences, Analytical Chemistry, Inorganic Chemistry, Bond length, Crystallography, Molecular geometry, Molecule, [CHIM]Chemical Sciences, HOMO/LUMO, Spectroscopy, Monoclinic crystal system, Hybrid material
Abstract: International audience; A new organic inorganic hybrid (C8H12N)ClO4 has been synthesized and characterized by spectroscopic (FT-IR,13C NMR and UV-Visible) and single crystal X-ray studies. These properties of 2-methylbenzylammonium perchlorate were also evaluated by DFT method. The title compound crystallized in the monoclinic space group P21/c at room temperature by slow evaporation with the following parameters a = 6.8894 (5) Å, b = 4.9146 (4) Å, c = 29.6565 (18) Å, β = 96.006 °, Z = 4 and V = 998.62(12) Å3. The crystal packing is determined by N–H…O, C–H…O hydrogen bonds and C–H…π interactions. The intermolecular interactions in the crystal structure were quantified and analyzed using Hirshfeld surface analysis. In addition the vibrational assignments, chemical shifts and geometrical parameters (bond lengths, bond angles, torsion angles) of the compound were calculated and found in good agreement with experimental results as well as the 13C NMR spectra are in agreement with the X-ray structure. Furthermore, the optical properties of the synthesized compound were investigated by UV-Vis and luminescence spectroscopy. Molecular electronic potential (MEP) has been calculated by the DFT calculation method. Reduced density gradient (RDG) and atoms in molecules (AIM) studies have also been performed to investigate the nature and strength of hydrogen bonding interactions. Also the HOMO and LUMO analysis have been used to confirm the experimental energy band gap of the compound. Finally, the biological activities of the new compound against four bacteria are also tested showing promising antimicrobial activity.
Published: 2022
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44. Biocompatible fluorenylphthalocyanines for one and two-photon photodynamic therapy and fluorescence imaging

Author: Mireille Blanchard-Desce, Seifallah Abid, Morgane Daurat, Bassem Jamoussi, Denis Durand, Christine O. Paul-Roth, Christophe Nguyen, Magali Gary-Bobo, Olivier Mongin, Frédéric Paul, Université de Carthage - University of Carthage, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), 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), King Abdulaziz University, Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CNRS is acknowledged for its financial support and the 'Ministère de l’Enseignement Supérieur et de la Recherche Scientifique de Tunisie' for PhD funding (SA). This project was supported by the departmental committees CD35, CD28 and CD29 of the 'Ligue contre le Cancer du Grand-Ouest'. Guillaume Clermont (ISM) is also thanked for his help in the two-photon excited fluorescence study and in the singlet oxygen measurements. We acknowledge the imaging facility 'Montpellier Ressources Imagerie' (MRI), member of the national infrastructure France-BioImaging supported by the French National Research Agency (ANR-10-INBS-04, «Investments for the future»)., ANR-10-INBS-0004,France-BioImaging,Développment d'une infrastructure française distribuée coordonnée(2010), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Faculté des Sciences de Bizerte [Université de Carthage], Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), NanoMedSyn (NMS), Faculty of Meteorology, Environment & Arid Land Agriculture, Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and CNRS is acknowledged for its financial support and the 'Ministère de l’Enseignement Supérieur et de la Recherche Scientifique de Tunisie' for PhD funding (SA). This project was supported by the departmental committees CD35, CD28 and CD29 of the 'Ligue contre le Cancer du Grand-Ouest'. Guillaume Clermont (ISM) is also thanked for his help in the two-photon excited fluorescence study and in the singlet oxygen measurements.
Subjects: Fluorescence-lifetime imaging microscopy, General Chemical Engineering, medicine.medical_treatment, chemistry.chemical_element, Photodynamic therapy, Zinc, 010402 general chemistry, Photochemistry, 01 natural sciences, Fluorescence imaging, chemistry.chemical_compound, Two-photon excitation microscopy, medicine, Molecule, Two-photon absorption, [CHIM]Chemical Sciences, 010405 organic chemistry, Singlet oxygen, Process Chemistry and Technology, Phthalocyanine, Fluorescence, In vitro, 0104 chemical sciences, Fluorene, chemistry, Oxygen sensitization
Abstract: International audience; The synthesis and the optical properties of a family of new fluorenyl phthalocyanines substituted with water-solubilizing triethyleneglycol chains is described. These biocompatible molecules exhibit strong one- and two-photon absorptions, together with fluorescence and photosensitization properties similar to those of their lipophilic analogues, thus outperforming unsubstituted zinc phthalocyanine in terms of brightness and singlet oxygen production. They were subsequently probed in vitro on cancer cells under one and two-photon excitation in both fluorescence imaging and photodynamic therapy experiments. The metal-free compound was shown to be more biocompatible and thus more promising than the zinc complex for theranostic applications.
Published: 2022
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45. Understanding the effects of copolymerized cellulose nanofibers and diatomite nanocomposite on blend chitosan films

Author: Eduardo Robles, Muhammad Mujtaba, Houwaida Nefzi, Jalel Labidi, Bahar Akyuz Yilmaz, Rut Fernández-Marín, Department of Bioproducts and Biosystems, University of the Basque Country, Aksaray University, University of Carthage, Aalto-yliopisto, Aalto University, Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM), Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Sabire Yazıcı Fen Edebiyat Fakültesi
Subjects: Optics and Photonics, Diatomite, Materials science, Polymers and Plastics, Composite number, Nanofibers, Nanoparticle, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Antioxidants, Nanocomposites, Chitosan, Copolymerized cellulose nanofibers, chemistry.chemical_compound, antibacterial activity, nanocrystals, Tensile Strength, polyacrylonitrile, Materials Testing, Materials Chemistry, [CHIM]Chemical Sciences, Transition Temperature, Acrylonitrile, Cellulose, essential oilwater, Nanocomposite, Aqueous solution, Organic Chemistry, Polyacrylonitrile, Food Packaging, Membranes, Artificial, 021001 nanoscience & nanotechnology, acrylonitrile, Chitosan Diatomite Acrylonitrile, Diatomaceous Earth, 0104 chemical sciences, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Chemical engineering, Solubility, Nanofiber, polymerization, glass-transition temperature, nanoparticles, 0210 nano-technology
Abstract: Funding Information: R. F-M. would like to express her gratitude to the Department of Economic Development and Infrastructures of the Basque Government (scholarship of young researchers training) for supporting this research financially. E.R. wants to acknowledge the tenure track position “Biobased materials” part of E2S UPPA supported by the “Investissements d'Avenir” French program managed by ANR (ANR-16-IDEX-0002). The authors would like to acknowledge the technical and human support provided by SGIker (UPV/EHU/ERDF.EU) and Biotechnology Institute, Ankara University, Turkey. Funding Information: R. F-M. would like to express her gratitude to the Department of Economic Development and Infrastructures of the Basque Government (scholarship of young researchers training) for supporting this research financially. E.R. wants to acknowledge the tenure track position ?Biobased materials? part of E2S UPPA supported by the ?Investissements d'Avenir? French program managed by ANR (ANR-16-IDEX-0002). The authorswould like to acknowledge the technical and human support provided by SGIker (UPV/EHU/ERDF.EU) and Biotechnology Institute, Ankara University, Turkey. Publisher Copyright: © 2021 The Author(s) Chitosan films lack various important physicochemical properties and need to be supplemented with reinforcing agents to bridge the gap. Herein, we have produced chitosan composite films supplemented with copolymerized (with polyacrylonitrile monomers) cellulose nanofibers and diatomite nanocomposite at different concentrations. The incorporation of CNFs and diatomite enhanced the physicochemical properties of the films. The mechanical characteristics and hydrophobicity of the films were observed to be improved after incorporating the copolymerized CNFs/diatomite composite at different concentrations (CNFs: 1%, 2% and 5%; diatomite: 10% and 30%). The antioxidant activity gradually increased with an increasing concentration (1–5% and 10–30%) of copolymerized CNFs/diatomite composite in the chitosan matrix. Moreover, the water solubility decreased from 30% for chitosan control film (CH-0) to 21.06% for films containing 30% diatomite and 5% CNFs (CNFs-D30-5). The scanning electron micrographs showed an overall uniform distribution of copolymerized CNFs/diatomite composite in the chitosan matrix with punctual agglomerations.
Published: 2021
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46. Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: Experimental and computational analysis

Author: Houda Marouani, Thierry Roisnel, Ikram Jomaa, Noureddine Issaoui, Université de Carthage - University of Carthage, Université de Monastir - University of Monastir (UM), Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Tunisian Ministry of Higher Education and Scientific Research, MHE and SR: 2068977, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Cd(II) complex, Crystal structure, 010402 general chemistry, DFT calculations, NLO, 01 natural sciences, Analytical Chemistry, Inorganic Chemistry, symbols.namesake, Non-covalent interactions, AIM, [CHIM]Chemical Sciences, Spectroscopy, chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Hydrogen bond, Hirshfeld surface, Organic Chemistry, 0104 chemical sciences, X-ray diffraction, Crystallography, Molecular geometry, symbols, Orthorhombic crystal system, van der Waals force, Hybrid material, Single crystal
Abstract: International audience; This paper deals with the crystal structure of the new non-centrosymmetric organic-inorganic hybrid material, (C6H14N)2[CdCl4]. Single crystal X-ray diffraction analysis shows that this compound crystallizes in the orthorhombic system, with the space group Cmc21 and the following parameters a = 27.257 (2) Å, b = 8.3560 (6) Å, c = 7.8872 (5) Å, V = 1796.4 (2) Å3 and Z = 4. The structure provides a new interesting example of infinite inorganic chains of [CdCl5]n following the c→ crystallographic direction. The monoprotonated cyclohexylammonium cations are linked to the anions via electrostatic, multiple bifurcated N—H…Cl hydrogen bonds and van der Waals interactions. To support experimental results, DFT calculations have been accomplished via the B3LYP method with 6–311++G(d,p) and LANL2DZ basis set on molecular geometry, vibrational and electronic properties. The non-covalent interactions were studied through AIM and RDG analysis and quantitatively using the Hirshfeld surfaces (HS) associated with 2D fingerprint plots. The NLO properties have been also investigated by DFT and compared to the urea reference
Published: 2021
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47. Anisotropic shape of CsPbBr3 colloidal nanocrystals: from 1D to 2D confinement effects

Author: Mathieu Bernard, Maria Chamarro, F. Bernardot, Julien Ramade, Violette Steinmetz, Christophe Testelin, Imen Saïdi, Amal Ghribi, Emmanuel Lhuillier, Thierry Barisien, Laurent Legrand, Maxime Vabre, K. Boujdaria, Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Photonique et cohérence de spin (INSP-E12), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Physico-chimie et dynamique des surfaces (INSP-E6), Université de Carthage - University of Carthage, ANR-11-IDEX-0004,SUPER,Sorbonne Universités à Paris pour l'Enseignement et la Recherche(2011), ANR-18-CE30-0023,IPER-Nano2,Nanocristaux de perovskite inorganique pour la nanophotonique(2018), ANR-19-CE24-0022,COPIN,Détecteur plasmonique à nanoCristaux colloïdaux: une nouvelle filière pour l'OPtoélectronique INfrarouge(2019), ANR-19-CE09-0017,FRONTAL,Nanocristaux Colloïdaux Dopés Infrarouges(2019), ANR-19-CE09-0026,GRaSkop,Tuning Giant Rashba Spin-Orbit Coupling in Polar Single Layer Transition Metal Dichalcogenides(2019), and European Project: 756225,blackQD
Subjects: [PHYS]Physics [physics], Materials science, Photoluminescence, Absorption spectroscopy, Phonon, Exciton, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Spectral line, 0104 chemical sciences, Quantum dot, General Materials Science, Exponential decay, 0210 nano-technology, Absorption (electromagnetic radiation)
Abstract: International audience; We synthesized strongly anisotropic CsPbBr3 nanocrystals with very narrow emission and absorption lines associated to confinement effects along one or two dimensions, called respectively nanoplatelets (NPLs) and nanosticks (NSTs). Transmission Electron Microscopy (TEM) images, absorption and photoluminescence (PL) spectra taken at low temperature are very precise tools to determine which kind of confinement has to be considered and to deduce the shape, the size and the thickness of nanocrystals under focus. We show that the energy of the band-edge absorption and PL peaks versus the inverse of the square of the NPL thickness has a linear behaviour from 11 monolayers (MLs) i.e. a thickness of 6.38 nm, until 4 MLs (2.32 nm) showing that self-energy correction compensates the increase of the exciton binding energy in thin NPLs as already observed in Cadmium chalcogenides-based NPLs. We also show that slight changes in the morphology of NSTs leads to a very drastic modification of their absorption spectra. Time-resolved PL of NSTs has a non-monotonous behaviour with temperature. At 5 K, a quasi-single exponential with a lifetime of 80 ps is obtained; at intermediate temperature, the decay is bi-exponential and at 150 K, a quasi-single exponential decay is recovered (≈0.4 ns). For NSTs, the exciton interaction with LO phonons governs the broadening of the absorption and PL peaks at room temperature and is stronger than in chalcogenides quantum dots and NPLs.
Published: 2020
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48. Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide cis-Inducing NtBu Monomers

Author: Claude Taillefumier, Olivier Roy, Maha Rzeigui, Laurent Jouffret, Mounir Traïkia, Jameleddine Khiari, Alexandre Kriznik, Institut de Chimie de Clermont-Ferrand (ICCF), SIGMA Clermont (SIGMA Clermont)-Institut de Chimie du CNRS (INC)-Université Clermont Auvergne [2017-2020] (UCA [2017-2020])-Centre National de la Recherche Scientifique (CNRS), SIGMA Clermont (SIGMA Clermont), Université de Carthage - University of Carthage, Ingénierie Moléculaire et Physiopathologie Articulaire (IMoPA), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Ingénierie, Biologie et Santé en Lorraine (IBSLor), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), GONNET, JULIE, and Université de Lorraine (UL)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)
Subjects: 010405 organic chemistry, Peptidomimetic, Stereochemistry, Organic Chemistry, [SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, Sequence (biology), Peptoid, [SDV.BBM.BM] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Folding (chemistry), chemistry.chemical_compound, Monomer, chemistry, [SDV.BBM.GTP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], Amide, Side chain, [SDV.BBM.GTP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], Polyproline helix
Abstract: International audience; The synthesis of biomimetic helical secondary structures is sought after for the construction of innovative nanomaterials and applications in medicinal chemistry such as the development of protein-protein interaction modulators. Peptoids, a sequence-defined family of oligomers, enable a peptidomimetic strategy, especially considering the easily accessible monomer diversity and peptoid helical folding propensity. However, cis-trans isomerization of the backbone tertiary amides may impair the peptoid's adoption of stable secondary structures, notably the all-cis polyproline I-like helical conformation. Here, we show that cis-inducing NtBu achiral monomers strategically positioned within chiral sequences may reinforce the degree of peptoid helicity, although with a reduced content of chiral side chains. The design principles presented here will undoubtedly help achieve more conformationally stable helical peptoids with desired functions.
Published: 2019
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49. Physicochemical properties and theoretical studies of novel fragile ionic liquids based on N-allyl-N,N-dimethylethylammonium cation

Author: Steven Le Vot, Sabri Messaoudi, Olivier Fontaine, Rahma Hachicha, Frédéric Favier, Ramzi Zarrougui, Ouassim Ghodbane, Institut National de Recherche et d'Analyse Physico-Chimique (INRAP), Université de Tunis - El Manar II, Université de Tunis El Manar (UTM), 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), Faculté des Sciences de Bizerte [Université de Carthage], Université de Carthage - University of Carthage, Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), This work was supported by the PHC-UTIQUE project (code 17G 1209), managed by the CMCU Committee, between Charles Gerhardt Institute of Montpellier (France) and National Institute of Research and Physico-chemical Analysis (Tunisia). Furthermore, the authors thank all the staff of the Useful Materials Laboratory (LMU) and especially, Pr. Mohieddine Abdellaoui for the electrochemical analyses and Moomen Marzouki and Riadh Hamdi for helpful discussions., University of Tunis El Manar, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), 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), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), and Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)
Subjects: Materials science, 02 engineering and technology, 010402 general chemistry, Electrochemistry, 01 natural sciences, Ion, chemistry.chemical_compound, Materials Chemistry, [CHIM]Chemical Sciences, Ionic conductivity, Physical and Theoretical Chemistry, Spectroscopy, Intermolecular force, Interaction energy, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Ionic liquids . Transport properties . Fragility Ion-pair interaction energy . Electrochemical stability window, Solvent, chemistry, Ionic liquid, Physical chemistry, Density functional theory, 0210 nano-technology
Abstract: International audience; A series of novel ionic liquids (ILs) based on N-allyl-N,N-dimethylethylammonium (N112A+) are synthesized and characterized. Their physical properties and electrochemical stabilities are investigated and discussed toward the anion constituents. Herein, four anions are studied including one planar non-fluorinated anion (DCA−) and three fluorinated anions (TFSI−, OTf−, TFA−). The experimental properties are compared to those predicted by density functional theory (DFT) calculations. All salts are found to be low melting compounds while being liquid at room temperature. N112A-TFSI is the most thermally stable (Td = 329 °C) and N112A-TFA is the least stable (Td = 158 °C). The temperature effect on ILs transport properties is determined and discussed using the ionicity and Angell's fragility concepts. Among the good and fragile prepared ILs, N112A –DCA exhibits outstanding transport properties thanks to the low dynamic viscosity (19.97 mPa·s) and high ionic conductivity (19.20 mS·cm−1) reached at 298 K. These suitable properties are explained, from theoretical calculations, by the lower intermolecular interactions of ion-pairs in N112A –DCA and quantified by the decreased value of dispersion ion-pairs interaction energy (−6 kJ·mol−1). The electrochemical stability window (ESW) of selected ILs is strongly affected by the anion structure. The ESW values are found to decrease in the following order N112A-TFSI (4.40 V) > N112A-OTf (3.80 V) > N112A-DCA (3.00 V) > N112A-TFA (2.18 V). Taking into account the most likely oxidation and reduction reactions, the ESWs are discussed and validated by the density-based solvent model (SMD). The experimental values of ESWs are very close to the predicted ones.
Published: 2019
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50. Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

Author: Fehmi Bardak, Sonia Trabelsi, Thierry Roisnel, Houda Marouani, Noureddine Issaoui, Ahmet Atac, Silvia Antonia Brandán, Université de Carthage - University of Carthage, Université de Monastir - University of Monastir (UM), Universidad Nacional de Tucumán (UNT), Manisa Celal Bayar University, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Ministry of Higher Education and Scientific Research of Tunisia, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Carthage, Faculté des Sciences de Bizerte, LR13ES08 Laboratoire de Chimie des Matériaux, Bizerte, 7021, Tunisia, University of Monastir, Laboratory of Quantum and Statistical Physics LR18ES18, Faculty of Sciences, Monastir, 5079, Tunisia, Cátedra de Química General, Instituto de Química Inorgánica, Facultad de Bioquímica, Química y Farmacia. Universidad Nacional de Tucumán., Ayacucho 471, San Miguel de Tucumán, Tucumán R 4000, Argentina, Department of Physics, Celal Bayar University, Manisa, Turkey, and Centre de Diffractométrie X, Unité Sciences Chimiques de Rennes, Université de Rennes I, UMR 6226 CNRS, 263 Avenue du Général Leclerc, Rennes, 35042, France
Subjects: Organic-inorganic hybrid material, Denticity, Stereochemistry, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, Crystal structure, 010402 general chemistry, medicine.disease_cause, 01 natural sciences, Analytical Chemistry, Inorganic Chemistry, chemistry.chemical_compound, Aminothiazole, [CHIM.CRIS]Chemical Sciences/Cristallography, medicine, Candida albicans, Escherichia coli, Spectroscopy, Antibacterial and anti-fungal activities, Chromate conversion coating, biology, Acyl carrier protein synthase, 010405 organic chemistry, Hydrogen bond, Chemistry, Organic Chemistry, biology.organism_classification, 0104 chemical sciences, Single crystal X-ray, IR spectroscopy, Chromate(VI), Molecular docking, biology.protein
Abstract: International audience; The structure of bis(2-phenylethylammonium) chromate (VI) (2phCr) was determined from X-ray diffraction data. The compound crystallizes in the monoclinic system (space group C2/c) with the lattice parameters a = 38.136 (2) Å b = 11.2334 (6) Å c = 8.1643 (4) Å; β = 98.480 (2) V = 3459.3 (3) Å 3 and Z = 8. The structure was solved from 3358 independent reflections with R = 0.034 and Rw = 0.1089. The structure consists of discrete anions (CrO 4 2− ) stacked in layers parallel to (b, c) plane at x = 1/4 and 3/4. These anions are connected to the 2-phenylethylammonium cations through N–H⋯O and C–H⋯O hydrogen bonds, forming a two-dimensional arrangement. Crystal structure and spectroscopic studies are reported for the 2phCr. In addition, Hirshfeld surfaces and two-dimensional fingerprint plots estimate the intermolecular interactions accountable for the generation of crystal packing. Furthermore, the title compound was screened for antibacterial activities against five pathogenic strains namely Escherichia coli ATCC 8739, Salmonella typhimurium ATCC 14028, Staphylococus aureus ATCC 6538, Enterococcus feacium ATCC 19434 and Streptocoque B (Sreptococcus agalactiae) and antifungal activities against a clinical strain called Candida albicans ATCC 10231, corroborating significant activity. In silico investigation of bioactivity of 2phCr was performed via molecular docking analysis with four types of secreted aspartic proteinases (SAP, SAP1, SAP3, and SAP5) from Candida albicans to explore the antifungal properties in comparison to behavior of known antifungals used to treat Candida albicans, and with three types of β-ketoacyl acyl carrier protein synthase enzymes (KAS I (FabB), KAS II (FabF) and KAS III (FabH)) from Escherichia coli in comparison with that of aminothiazole, thilactomycin, and cerulerin antimicrobials. In addition, the complete assignments for 2phCr are reported considering monodentate coordination for the chromate group.
Published: 2019
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