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101.
Dr. Dong Zhou Yi Chen Prof. Baohua Li Prof. Hongbo Fan Prof. Faliang Cheng Dr. Devaraj Shanmukaraj Prof. Teofilo Rojo Prof. Michel Armand Prof. Guoxiu Wang 《Angewandte Chemie (International ed. in English)》2018,57(32):10168-10172
Ambient‐temperature sodium–sulfur (Na–S) batteries are considered a promising energy storage system due to their high theoretical energy density and low costs. However, great challenges remain in achieving a high rechargeable capacity and long cycle life. Herein we report a stable quasi‐solid‐state Na‐S battery enabled by a poly(S‐pentaerythritol tetraacrylate (PETEA))‐based cathode and a (PETEA‐tris[2‐(acryloyloxy)ethyl] isocyanurate (THEICTA))‐based gel polymer electrolyte. The polymeric sulfur electrode strongly anchors sulfur through chemical binding and inhibits the shuttle effect. Meanwhile, the in situ formed polymer electrolyte with high ionic conductivity and enhanced safety successfully stabilizes the Na anode/electrolyte interface, and simultaneously immobilizes soluble Na polysulfides. The as‐developed quasi‐solid‐state Na‐S cells exhibit a high reversible capacity of 877 mA h g?1 at 0.1 C and an extended cycling stability. 相似文献
102.
Stefano Bosisio Antonia S. J. S. Mey Julien Michel 《Journal of computer-aided molecular design》2017,31(1):61-70
In the context of the SAMPL5 blinded challenge standard free energies of binding were predicted for a dataset of 22 small guest molecules and three different host molecules octa-acids (OAH and OAMe) and a cucurbituril (CBC). Three sets of predictions were submitted, each based on different variations of classical molecular dynamics alchemical free energy calculation protocols based on the double annihilation method. The first model (model A) yields a free energy of binding based on computed free energy changes in solvated and host-guest complex phases; the second (model B) adds long range dispersion corrections to the previous result; the third (model C) uses an additional standard state correction term to account for the use of distance restraints during the molecular dynamics simulations. Model C performs the best in terms of mean unsigned error for all guests (MUE \(3.2\,<\,3.4\,<\,3.6\,\text{kcal}\,\text{mol}^{-1}\)—95 % confidence interval) for the whole data set and in particular for the octa-acid systems (MUE \(1.7\,<\,1.9\,<\,2.1\,\text{kcal}\,\text{mol}^{-1}\)). The overall correlation with experimental data for all models is encouraging (\(R^2\, 0.65\,<\,0.70<0.75\)). The correlation between experimental and computational free energy of binding ranks as one of the highest with respect to other entries in the challenge. Nonetheless the large MUE for the best performing model highlights systematic errors, and submissions from other groups fared better with respect to this metric. 相似文献
103.
Dr. Achraf Noureddine Dr. Magali Gary‐Bobo Dr. Laure Lichon Dr. Marcel Garcia Prof. Jeffrey I. Zink Dr. Michel Wong Chi Man Dr. Xavier Cattoën 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(28):9624-9630
Bis(clickable) mesoporous silica nanospheres (ca. 100 nm) were obtained by the co‐condensation of TEOS with variable amounts (2–5 % each) of two clickable organosilanes in the presence of CTAB. Such nanoparticles could be easily functionalized with two independent functions using the copper‐catalyzed alkyne‐azide cycloaddition (CuAAC) reaction to transform them into nanomachines bearing cancer cell targeting ligands with the ability to deliver drugs on‐demand. The active targeting was made possible after anchoring folic acid by CuAAC click reaction, whereas the controlled delivery was performed by clicked azobenzene fragments. Indeed, the azobenzene groups are able to obstruct the pores of the nanoparticles in the dark whereas upon irradiation in the UV or in the blue range, their trans‐to‐cis photoisomerization provokes disorder in the pores, enabling the delivery of the cargo molecules. The on‐command delivery was proven in solution by dye release experiments, and in vitro by doxorubicin delivery. The added value of the folic acid ligand was clearly evidenced by the difference of cell killing induced by doxorubicin‐loaded nanoparticles under blue irradiation, depending on whether the particles featured the clicked folic acid ligand or not. 相似文献
104.
Sorin‐Claudiu Roşca Dr. Chiara Dinoi Dr. Elsa Caytan Dr. Vincent Dorcet Prof. Dr. Michel Etienne Prof. Dr. Jean‐François Carpentier Dr. Yann Sarazin 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(19):6505-6509
Strontium and calcium (alkaline earth: Ae) olefin complexes stabilised by secondary Ae???F?C and β‐agostic Ae???H?Si interactions are presented. Olefin coordination onto the alkaline earths is plain in the solid state, and it is thermodynamically favoured over the coordination of THF. The existence of the Ae???olefin interactions is corroborated by solution NMR data and DFT computations. The coordination mode of the olefin varies with steric effects and, if enforced, olefin dissociation can be compensated by the other non‐covalent interactions, as supported by DFT computations. 相似文献
105.
106.
107.
Abstract
In this note, we consider a Frémond model of shape memory alloys. Let us imagine a piece of a shape memory alloy which is
fixed on one part of its boundary, and assume that forcing terms, e.g., heat sources and external stress on the remaining
part of its boundary, converge to some time-independent functions, in appropriate senses, as time goes to infinity. Under
the above assumption, we shall discuss the asymptotic stability for the dynamical system from the viewpoint of the global
attractor. More precisely, we generalize the paper [12] dealing with the one-dimensional case. First, we show the existence
of the global attractor for the limiting autonomous dynamical system; then we characterize the asymptotic stability for the
non-autonomous case by the limiting global attractor.
* Project supported by the MIUR-COFIN 2004 research program on “Mathematical Modelling and Analysis of Free Boundary Problems”. 相似文献
108.
Claude Peker Michel Herlem et Janine Badoz-Lambling 《Fresenius' Journal of Analytical Chemistry》1966,224(1):302-309
Résumé L'évolution de la rapidité de la réduction électrochimique des ions Co2+, Ni2+, Pb2+, In3+ et Zn2+ dans plusieurs milieux complexants a d'abord été étudiée: l'élongation et l'étalement des pics obtenus sont donnés pour une concentration 10–5 M pour chaque ion. Ensuite la résolution des couples Zn2+/Co2+, Zn2+/Ni2+, In3+/Cd2+ et Pb2+/Tl+ a été considérée dans les mêmes milieux complexants. Pour chaque couple on donne la différence E entre les potentiels de demi-vague des éléments et l'allure des polarogrammes.
En hommage au Prof. Dr. M. von Stackelberg à l'occasion de son 70ème anniversaire.
Associé au Centre National de la Recherche Scientifique. 相似文献
Summary The electrochemical reduction rate of the ions Co2+, Ni2+, Pb2+, In3+ and Zn2+ is studied in solutions of various complexing agents. The width and the shape of the peaks for each ion in 10–5 M concentration are given. The resolution of the couples Zn2+/Co2+, Zn2+/Ni2+, In3+/Cd2+ and Pb2+/Tl+ in the same electrolytes is shown hereafter. The difference E of the half-wave potentials and the behaviour of the polarograms for each couple is given.
Zusammenfassung Die Abhängigkeit der elektrochemischen Reduktionsgeschwindigkeit von verschiedenen Komplexbildnern wird am Beispiel der Ionen Co2+, Ni2+, Pb2+, In3+ und Zn2+ untersucht. Ausdehnung und Form der Polarogramme werden für jedes Element in 10–5 m Lösung angegeben. In den gleichen komplexbildenden Elektrolyten wird sodann die Trennung der Ionen Zn2+/Co2+, Zn2+/Ni2+, In3+/Cd2+ und Pb2+/Tl+ untersucht. Für jede Ionenkombination wird die Halbstufenpotentialdifferenz E angegeben und das Polarogramm erläutert.
En hommage au Prof. Dr. M. von Stackelberg à l'occasion de son 70ème anniversaire.
Associé au Centre National de la Recherche Scientifique. 相似文献
109.
F. Peypoux M. Guinand G. Michel L. Delcambe B.C. Das P. Varenne E. Lederer 《Tetrahedron》1973,29(21):3455-3459
lturin, a peptide antibiotic from Bacillus subtilis, was separated into three iturins: A, B, C by thin-layer chromatography. Iturin A, which has an antifungal activity, contains Asp, Glu, Tyr, Ser, Pro in a molar ratio 3:1:1:1:1 and a lipid moiety AL. The latter was shown to be a mixture of C14 (40%) and C15, (60%) amino-acids. The structure of these was determined by combined gas chromatography-mass spectrometry of the N-acetylmethyl esters. Strong peaks at m/e = 144 and m/e = 102 indicate a β-amino group. Identification of acetone and methylethylketone after chromic acid oxidation indicates an iso and anteiso structure. After comparison of the natural amino-acids with synthetic 3-amino pentadecanoic acid it is concluded that the lipid AL is a mixture of 3-amino 12- methyltetradecanoic acid and 3-amino 12-methyltridecanoic acid. 相似文献
110.
A. Büling C. Carl P. Englert U. Herpers W. Herr R. Michel P. Ney H. Weigel 《Journal of Radioanalytical and Nuclear Chemistry》1977,38(1-2):379-390
In a large number of alpine rocks and respective mineral separates the beryllium distribution was studied via “non-destructive”
photon activation. The detection limit of the assembly was ∼20 ppb. The existence of Be-rich areas was revealed. A selection
of individual rocks was analysed by instrumental as well as by radiochemical neutron activation analysis for main and trace
elements as: Na, K, Sc, Cr, Mn, Fe, Co, Rb, Cs, La, Eu, Yb, Ta, W, Au, and U. The latter was determined by counting the235U-fission tracks. The data supply an insight into the complex processes leading to the formation of metamorphic rocks. The
hardware and the computer evaluation of the γ-spectra is described in some detail. A further application is the determination
of traces of53Mn (in the order of 10−12 g/g) produced by the interaction of cosmic rays with stony meteorites. From a comparison of the26Al- and53Mn-values it is concluded that the depth dependent production of these two radionuclides differs slightly. 相似文献