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1.
Jing?Ye Stéphane?AndreEmail authorView authors OrcID profile Laurent?Farge Nicolas?Louvet 《Rheologica Acta》2018,57(6-7):505-520
Micromechanical deformation phenomena such as those leading to macroscopic viscoelastic and plastic behavior must be studied from a thermodynamic viewpoint, as they induce complex and partly irreversible heat effects. Calorimetric measurements of the intrinsic volumetric thermomechanical heat sources (THS) activated in the material bulk during mechanical loads can produce valuable information with respect to that aim. They can be based on infrared imaging if submitted to inverse algorithms that allow a correct reconstruction of THS to be produced. Here, an inverse method relying on a diffusion-advection heat transfer model is applied to experimental temperature maps recorded during tensile tests. These are made on a semi-crystalline polymer that shows a strong development of plastic instabilities. Along with simultaneous kinematic observables produced with a digital image correlation system, the competition between advection and diffusion phenomena may be clearly established. 1-D profiles of the reconstructed THS and measured strain rates illustrate clearly that thermomechanical effects associated with necking onset and propagation follow the kinematic variable in a rather direct manner. Finally, we show for tensile experiments that THS estimations lead to analyze plasticity as a rheological behavior controlled by the flow stress, responsible of necking development and propagation. 相似文献
2.
Pierre Thureau Simone Sturniolo Miri Zilka Fabio Ziarelli Stéphane Viel Jonathan R. Yates Giulia Mollica 《Magnetic resonance in chemistry : MRC》2019,57(5):256-264
Structure determination of functional organic compounds remains a formidable challenge when the sample exists as a powder. Nuclear magnetic resonance crystallography approaches based on the comparison of experimental and Density Functional Theory (DFT)-computed 1H chemical shifts have already demonstrated great potential for structure determination of organic powders, but limitations still persist. In this study, we discuss the possibility of using 13C-13C dipolar couplings quantified on powdered theophylline at natural isotopic abundance with the help of dynamic nuclear polarization, to realize a DFT-free, rapid screening of a pool of structures predicted by ab initio random structure search. We show that although 13C-13C dipolar couplings can identify structures possessing long range structural motifs and unit cell parameters close to those of the true structure, it must be complemented with other data to recover information about the presence and the chemical nature of the supramolecular interactions. 相似文献
3.
Dr. Samuel Oger Damien Schapman Dr. Romain Mougeot Dr. Stéphane Leleu Dr. Noëlle Lascoux Dr. Patrice Baldeck Dr. Magalie Bénard Dr. Thibault Gallavardin Dr. Ludovic Galas Dr. Xavier Franck 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(46):10954-10964
Epicocconone 1 is a natural chromophore isolated from the fungus Epicoccum nigrum that has shown applications in proteomics and fluorescent microscopy thanks to its unique pro-fluorescence properties. The modification of the skeleton of the natural product by replacing the triene side chain by a fluorenyl scaffold can noticeably increase the fluorophore's absorption coefficient. The synthesis of the analogues of the natural product has been made possible by the use of a palladium-catalyzed carbonylation reaction, allowing the construction of the β-keto-dioxinone key intermediate. Two-photon absorption cross-section measurements of the fluorenyl epicocconone analogues show a structure dependency with values ranging from 60 to 280 GM and live cell imaging show intense staining of intracellular vesicle-like structures around the nucleus. 相似文献
4.
Ralph Stöhr 《代数通讯》2018,46(4):1614-1621
5.
6.
Antoine Busseau Dr. Carmen Villegas Dr. Sylvie Dabos‐Seignon Dr. Clément Cabanetos Prof. Piétrick Hudhomme Dr. Stéphanie Legoupy 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(25):8452-8456
New penta(organo)fullerenes donor–acceptor systems bearing five tetrathiafulvalene recognition units have been synthesized to promote self‐assemblies similar in appearance to shuttlecocks nested into each other thanks to the conical host cavity created around the fullerene together with the π–π and electronic interactions. 相似文献
7.
Bis(N‐Confused Porphyrin) as a Semirigid Receptor with a Chirality Memory: A Two‐Way Host Enantiomerization through Point‐to‐Axial Chirality Transfer 下载免费PDF全文
Prof. Piotr J. Chmielewski Dr. Marta Siczek Prof. Marcin Stępień 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(6):2547-2559
The adduct formation of protonated bis(N‐confused porphyrin) (BNCP, 3,3′‐bis(meso‐tetratolyl‐2‐aza‐21‐carbaporphyrin) with chiral anions, carboxylic acids, and alcohols was studied in solution by means of 1H NMR and circular dichroism (CD) spectroscopic analysis and DFT methods. The addition of enantiopure guests to the acidified BNCP resulted in optical activity that vanished after neutralization. Pairs of the 1H NMR‐distinguishable diastereomers were formed when enantiopure guests were applied, although a single form was observed upon the addition of the racemic mixtures in each case. Unidirectional configuration change that led to diastereomeric excess was observed in several instances. Such an excess was memorized by metalation of the adducts with AgBF4, thus resulting in optically active silver(III) complexes of BNCP with some enantiomeric excess. Absolute configurations of BNCP cations and bis(zinc) and bis(silver(III)) complexes were determined on the basis of time‐dependent (TD)‐DFT calculations of their CD spectra. It was shown that some of the chiral carboxylates induced opposite directions of enantiomerization of di‐ and tetracations or di‐/tetracation and bis(zinc) complexes. The source of the optical activity of the equimolar diastereomeric mixture of adducts is discussed. 相似文献
8.
Solubility and Crystallizability: Facile Access to Functionalized π‐Conjugated Compounds with Chlorendylimide Protecting Groups 下载免费PDF全文
Dr. Jan Gebers Damien Rolland Dr. Roman Marty Dr. Stéphane Suàrez Luca Cervini Dr. Rosario Scopelliti Dr. Jan Cornelius Brauer Prof. Dr. Holger Frauenrath 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(4):1542-1553
Functional π‐conjugated molecules are relevant for the preparation of new organic electronic materials with improved performance. However, their synthesis is often rendered difficult by their inherently low solubility, and the permanent attachment of solubilizing groups may change the properties of the material. Here, we introduced the chlorendylimidyl moiety as a new temporary protecting group for the straightforward large‐scale synthesis of protected quarter‐, sexi‐, octathiophene, and perylene bisimide diamine and dicarboxylic acid derivatives. The obtained chlorendylimides and chlorendylimidyl active esters were highly soluble in organic solvents, and optical spectroscopy confirmed the low tendency of the compounds to aggregate in solution. At the same time, they could be conveniently purified by recrystallization or precipitation. Single‐crystal X‐ray structures obtained for most compounds showed supramolecular motifs highlighting the role of the rigid, polychlorinated chlorendyl moieties in their crystallization. The obtained protected diamine and dicarboxylic acid derivatives were easily deprotected and converted into various amide‐substituted oligothiophenes and perylene bisimides that are of interest as new functional materials for organic electronic thin film or nanowire devices. 相似文献
9.
M. Vogel G. Birkl M. S. Ebrahimi D. von Lindenfels A. Martin G. G. Paulus W. Quint S. Ringleb Th. Stöhlker M. Wiesel 《Hyperfine Interactions》2015,230(1-3):65-71
We present two Penning trap experiments concerned with different aspects of the physics of extreme electromagnetic fields, the ARTEMIS experiment designed for bound-electron magnetic moment measurements in the presence of the extremely strong fields close to the nucleus of highly charged ions, and the HILITE experiment, in which well-defined ion targets are to be subjected to high-intensity laser fields. 相似文献
10.
Highly Axial Magnetic Anisotropy in a N3O5 Dysprosium(III) Coordination Environment Generated by a Merocyanine Ligand 下载免费PDF全文
Pramila Selvanathan Gang Huang Thierry Guizouarn Dr. Thierry Roisnel Dr. Guglielmo Fernandez‐Garcia Dr. Federico Totti Dr. Boris Le Guennic Dr. Guillaume Calvez Dr. Kévin Bernot Dr. Lucie Norel Prof. Stéphane Rigaut 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(43):15222-15226
A spiropyran‐based switchable ligand isomerizes upon reaction with lanthanide(III) precursors to generate complexes with an unusual N3O5 coordination sphere. The air‐stable dysprosium(III) complex shows a hysteresis loop at 2 K and a very strong axial magnetic anisotropy generated by the merocyanine phenolate donor. 相似文献