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排序方式: 共有217条查询结果,搜索用时 15 毫秒
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Interactions of Pt‐ttpy with G‐Quadruplexes Originating from Promoter Region of the c‐myc Gene Deciphered by NMR and Gel Electrophoresis Analysis 下载免费PDF全文
3.
Tahya Bamine Edouard Boivin Christian Masquelier Laurence Croguennec Elodie Salager Dany Carlier 《Magnetic resonance in chemistry : MRC》2020,58(11):1109-1117
7Li, 31P, and 19F solid-state nuclear magnetic resonance (NMR) spectroscopy was used to investigate the local arrangement of oxygen and fluorine in LiVPO4F1-yOy materials, interesting as positive electrode materials for Li-ion batteries. From the evolution of the 1D spectra versus y, 2D 7Li radiofrequency-driven recoupling (RFDR) experiments combined, and a tentative signal assignment based on density functional theory (DFT) calculations, it appears that F and O are not randomly dispersed on the bridging X position between two X–VO4–X octahedra (X = O or F) but tend to segregate at a local scale. Using DFT calculations, we analyzed the impact of the different local environments on the local electronic structure. Depending on the nature of the VO4X2 environments, vanadium ions are either in the +III or in the +IV oxidation state and can exhibit different distributions of their unpaired electron(s) on the d orbitals. Based on those different local electronic structures and on the computed Fermi contact shifts, we discuss the impact on the spin transfer mechanism on adjacent nuclei and propose tentative signal assignments. The O/F clustering tendency is discussed in relation with the formation of short VIVO vanadyl bonds with a very specific electronic structure and possible cooperative effect along the chain. 相似文献
4.
Wenbin Guo Dr. Nathalie Daro Dr. Sébastien Pillet Dr. Mathieu Marchivie Dr. El-Eulmi Bendeif Dr. Elodie Tailleur Dr. Kittipong Chainok Dominique Denux Dr. Guillaume Chastanet Prof. Philippe Guionneau 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(57):12927-12930
The current craze for research around the spin crossover phenomenon can be justified to some extent by the mechanical properties due to the decrease of volume associated with the transition of the metal ion from the HS state to the LS state. As demonstrated here, the molecular complex [Fe(PM-pBrA)2(NCS)2] exhibits, on the contrary, an increase of the unit-cell volume from HS to LS. This counter-intuitive and unprecedented behavior that concerns both the thermal and the photoexcited spin conversions is revealed by a combination of single-crystal and powder X-ray diffraction complemented by magnetic measurements. Interestingly, this abnormal volume change appears concomitant with the wide rotation of a phenyl ring which induces a drastic modification, though reversible, of the structural packing within the crystal. In addition, the light-induced HS state obtained through the Light-Induced Excited Spin-State Trapping shows a remarkably high relaxation temperature, namely T(LIESST), of 109 K, one of the highest so far reported. The above set of quite unusual characteristics opens up new fields of possibilities within the development of spin crossover materials. 相似文献
5.
Castro Jorge Fernández Francisco Olivares Felipe Berríos Cristhian Garrido-Ramírez Elizabeth Blanco Elodie Escalona Néstor Aspée Alexis Barrías Pablo Ureta-Zañartu M. Soledad 《Journal of Solid State Electrochemistry》2021,25(1):117-131
Journal of Solid State Electrochemistry - 2,4,6-trichlorophenol (TCP) is a persistent pollutant introduced in water by industrial processes and pesticides. We have studied the electrooxidation of... 相似文献
6.
Dr. Tarun Kumar Yan Yang Sirine Sghaier Dr. Yassir Zaid Dr. Xavier F. Le Goff Dr. Elodie Rousset Dr. Fabien Massicot Dr. Dominique Harakat Agathe Martinez Dr. Marc Taillefer Prof. Laurent Maron Prof. Jean-Bernard Behr Dr. Florian Jaroschik 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(12):4016-4021
The development of new fluorine-containing building blocks and their efficient synthetic access is currently a challenging research field. Herein, the highly regio- and stereoselective addition of a large range of aldehydes onto trifluoromethylated benzofulvenes was achieved using a simple La/I2/DIBAL-Cl system via a selective C−F bond activation process. This versatile methodology provided homodienyl alcohols bearing a terminal CF2-alkene with potential further applications, as shown by the dehydration to the first benzofulvenes carrying a difluorovinyl group. In addition, for certain electron-poor aldehydes, unprecedented ipso substitution of the CF3 group in a diene was observed, which, according to DFT studies, is related to the presence of the large, Lewis-acidic lanthanum metal. 相似文献
7.
One of the most important concerns for managing public health is the prevention of infectious diseases. Although vaccines provide the most effective means for preventing infectious diseases, there are two main reasons why it is often difficult to reach a socially optimal level of vaccine coverage: (i) the emergence of operational issues (such as yield uncertainty) on the supply side, and (ii) the existence of negative network effects on the consumption side. In particular, uncertainties about production yield and vaccine imperfections often make manufacturing some vaccines a risky process and may lead the manufacturer to produce below the socially optimal level. At the same time, negative network effects provide incentives to potential consumers to free ride off the immunity of the vaccinated population. In this research, we consider how a central policy-maker can induce a socially optimal vaccine coverage through the use of incentives to both consumers and the vaccine manufacturer. We consider a monopoly market for an imperfect vaccine; we show that a fixed two-part subsidy is unable to coordinate the market, but derive a two-part menu of subsidies that leads to a socially efficient level of coverage. 相似文献
8.
Benzoxazinones are easily prepared using Passerini–Smiles couplings of o-nitrophenol derivatives. Palladium-catalyzed flow-hydrogenation of adducts gives aniline derivatives that cyclize into benzoxazinones on treatment with trifluoroacetic acid. 相似文献
9.
Compound specific isotope analysis of hexachlorocyclohexane isomers: a method for source fingerprinting and field investigation of in situ biodegradation 下载免费PDF全文
10.
Dr. Viktor Pfeifer Marie Certiat Dr. Donia Bouzouita Dr. Alberto Palazzolo Sébastien Garcia-Argote Elodie Marcon David-Alexandre Buisson Dr. Philippe Lesot Prof. Laurent Maron Dr. Bruno Chaudret Dr. Simon Tricard Dr. Iker del Rosal Prof. Romuald Poteau Dr. Sophie Feuillastre Dr. Grégory Pieters 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(22):4988-4996
Ruthenium nanocatalysis can provide effective deuteration and tritiation of oxazole, imidazole, triazole and carbazole substructures in complex molecules using D2 or T2 gas as isotopic sources. Depending on the substructure considered, this approach does not only represent a significant step forward in practice, with notably higher isotope uptakes, a broader substrate scope and a higher solvent applicability compared to existing procedures, but also the unique way to label important heterocycles using hydrogen isotope exchange. In terms of applications, the high incorporation of deuterium atoms, allows the synthesis of internal standards for LC-MS quantification. Moreover, the efficacy of the catalyst permits, even under subatmospheric pressure of T2 gas, the preparation of complex radiolabeled drugs owning high molar activities. From a fundamental point of view, a detailed DFT-based mechanistic study identifying undisclosed key intermediates, allowed a deeper understanding of C−H (and N−H) activation processes occurring at the surface of metallic nanoclusters. 相似文献