• Article dans une revue

Theoretical investigation of the inversion parameter in Co-3 (-) sAlsO4 (s=0-3) spinel structures

Frederik Tielens, M. Calatayud, R. Franco, J. M. Recio, J. Perez-Ramirez, C. Minot

The structural, energetic, and thermodynamic properties of the Co-3 (-) sAlsO4 (s = 0, 1, 2, and 3) crystal family are studied using periodic DFT calculations. We provide a quantitative discussion of the cation distribution effect on the cell parameter, the oxygen Wyckoff position, the interatomic…

Solid State Ionics, 2009, 180 (14-16), pp.1011-1016. ⟨10.1016/j.ssi.2009.03.023⟩. ⟨hal-01361360⟩

• Article dans une revue

Gold Grafted to Mesoporous Silica Surfaces, a Molecular Picture

A. Wojtaszek, I. Sobczak, M. Ziolek, Frederik Tielens

The adsorption of HAuCl(4), the typical precursor for gold grafting on metal oxide surfaces, is investigated on amorphous silica support. The adsorption of the precursor is investigated as a function of its chlorinated form, depending on the pH, using periodic DFT. The results are supported with…

Journal of Physical Chemistry C, 2009, 113 (31), pp.13855-13859. ⟨10.1021/jp9036815⟩. ⟨hal-01361364⟩

• Article dans une revue

Elucidation of the low coverage chiral adsorption assembly of L-lysine on Cu(110) surface: A theoretical study

Frederik Tielens, Vincent Humblot, Claire-Marie Pradier

The adsorption of L-lysine on Cu(110) surface was studied using periodic DFT. The geometry is discussed in terms of the molecular electrostatic interactions, and electronic properties such as DOS. An STM image was simulated and compared with our recently obtained experimental results. Compelling…

Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2008, 602 (5), pp.1032-1039. ⟨10.1016/j.susc.2007.12.033⟩. ⟨hal-01361368⟩

• Article dans une revue

Multi-stimuli responsive supramolecular diblock copolymers

L. Sambe, K. Belal, F. Stoffelbach, J. Lyskawa, F. Delattre, M. Bria, F.X. Sauvage, M. Sliwa, V. Humblot, B. Charleux, G. Cooke, P. Woisel

A well-defined cyclobis(paraquat-p-phenylene) (CBPQT⁴⁺) end-functionalized poly(<i>n</i>-butyl acrylate) 3 was prepared <i>via</i> RAFT polymerization using a new trithiocarbonate CBPQT⁴⁺ derivative 2 as a reversible chain…

Polymer Chemistry, 2014, 5, pp.1031 - 1036. ⟨10.1039/c3py01093g⟩. ⟨hal-01113479⟩

• Article dans une revue

Novel synthetic bis-indolic derivatives with antistaphylococcal activity, including against MRSA and VISA strains

Yvan Caspar, Matthieu Jeanty, Jérôme Blu, Olga Burchak, Emmanuelle Le Pihive, Laure Maigre, Dominique Schneider, Claude Jolivalt, Jean-Marc Paris, Arnaud Hequet, Frédéric Minassian, Jean-Noël Denis, Max Maurin

Abstract Objectives We report the synthesis, antibacterial activity and toxicity of 24 bis-indolic derivatives obtained during the development of new ways of synthesis of marine bis-indole alkaloids from the spongotine, topsentin and hamacanthin classes. Methods Innovative ways of synthesis and…

Journal of Antimicrobial Chemotherapy, 2015, 70 (6), pp.1727-1737. ⟨10.1093/jac/dkv015⟩. ⟨hal-04682105⟩

• Article dans une revue

How to determine IR molar absorption coefficients of co-adsorbed species? Application to methanol adsorption for quantification of MgO basic sites

Béatrice Moulin, Laetitia Oliviero, Philippe Bazin, Marco Daturi, Guylène Costentin, Françoise Maugé

Methanol adsorption on MgO samples with different morphologies is studied by infrared (IR) spectroscopy coupled to volumetry or thermogravimetry measurements to probe qualitatively and quantitatively the acid-base paired sites. The molar absorption coefficients of [small nu](OC) vibration of non-…

Physical Chemistry Chemical Physics, 2011, 13 (22), pp.10797-10807. ⟨10.1039/C0CP02767G⟩. ⟨hal-00639308⟩

• Communication dans un congrès

Search for clues of life or habitability at Mars: laboratory simulation of the evolution of organic molecules at the surface of Mars

Patrice Coll, Olivier Poch, Maguy Jaber, Jean-François Lambert, Thomas Georgelin, Fabien Stalport, Cyril Szopa

Origins 2014 International Conference, Jul 2014, Nara, Japan. ⟨insu-01148594⟩

• Article dans une revue

The Impact of Reduction Temperature and Nanoparticles Size on the Catalytic Activity of Cobalt-Containing BEA Zeolite in Fischer–Tropsch Synthesis

Karolina A Chalupka, Jacek Grams, Pawel Mierczynski, Malgorzata I Szynkowska, Jacek Rynkowski, Thomas Onfroy, Sandra Casale, Stanislaw Dzwigaj

A goal of this work was to investigate the influence of the preparation procedure and activation conditions (reduction temperature and reducing medium: pure hydrogen (100% H 2) or hydrogen-argon mixture (5% H 2-95% Ar)) on the activity of Co-containing BEA zeolites in Fischer-Tropsch synthesis.…

Catalysts, 2020, 10 (5), pp.553. ⟨10.3390/catal10050553⟩. ⟨hal-03987087⟩

• Article dans une revue

Synthesis of TiO2 Nanobelt Bundles Decorated with TiO2 Nanoparticles and Aggregates and Their Use as Anode Materials for Lithium-Ion Batteries

Wenpo Luo, Juliette Blanchard, Domenica Tonelli, Abdelhafed Taleb

TiO 2 Nanobelt Bundles Decorated with TiO 2 Nanoparticles and Aggregates and Their Use as Anode Materials for Lithium-Ion Batteries.

Micromachines, 2023, 14, ⟨10.3390/mi14020243⟩. ⟨hal-04285412⟩

• Thèse

Emergence de biopolymères de complexite contrôlée dans les scénarios d'origine de la vie, Emergence of biopolymers with controlled complexity in an origins of life scenario

Lise Bedoin

La matière vivante se caractérise par la présence de biopolymères non aléatoires dont la fonction biologique dépend de la séquence en monomères. Pour comprendre les origines de la vie, il est essentiel d’expliquer l’émergence de polymères non aléatoires dans un monde où les cellules vivantes n’…, Living matter is characterized by the presence of non-random biopolymers whose biological function depends on the monomer sequence. Thus, a major challenge for the elucidation of the Origins of Life lies in understanding how non-random polypeptides were formed and selected among all of the possible…

Polymères. Sorbonne Université, 2021. Français. ⟨NNT : 2021SORUS229⟩. ⟨tel-03475214⟩