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51.
EPR Studies of the Binding Properties,Guest Dynamics,and Inner‐Space Dimensions of a Water‐Soluble Resorcinarene Capsule
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Dr. Mehmet Menaf Ayhan Dr. Gilles Casano Dr. Hakim Karoui Prof. Antal Rockenbauer Dr. Valérie Monnier Dr. Micaël Hardy Prof. Paul Tordo Dr. David Bardelang Dr. Olivier Ouari 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(46):16404-16410
Nitroxide free radicals have been used to study the inner space of one of Rebek’s water‐soluble capsules. EPR and 1H NMR spectroscopy, ESI‐MS, and DFT calculations showed a preference for the formation of 1:2 complexes. EPR titrations allowed us to determine binding constants (Ka) in the order of 107 M ?2. EPR spectral‐shape analysis provided information on the guest rotational dynamics within the capsule. The interplay between optimum hydrogen bonding upon capsule formation and steric strain for guest accommodation highlights some degree of flexibility for guest inclusion, particularly at the center of the capsule where the hydrogen bond seam can be barely distorted or slightly disturbed. 相似文献
52.
Frontispiece: EPR Studies of the Binding Properties,Guest Dynamics,and Inner‐Space Dimensions of a Water‐Soluble Resorcinarene Capsule
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53.
Labiadh Lazhar Barbucci Antonio Carpanese Maria Paola Gadri Abdellatif Ammar Salah Panizza Marco 《Journal of Solid State Electrochemistry》2017,21(8):2167-2175
Journal of Solid State Electrochemistry - In this paper, the electrocatalytic properties of PbO2 and TiRuSnO2 anodes for direct and indirect electrochemical oxidation of a synthetic solution... 相似文献
54.
Faraji Hakim Saber-Tehrani Mohamad Mirzaie Afshin Waqif-Husain Syed 《平面色谱法杂志一现代薄层色谱法》2011,24(3):214-217
JPC – Journal of Planar Chromatography – Modern TLC - A novel liquid-phase microextraction method coupled with high-performance thin-layer chromatography (HPTLC) for preconcentration,... 相似文献
55.
Microkinetic modeling of surface chemical reactions still relies heavily on the mean-field based rate equation approach. This approach is expected to be most accurate for systems without appreciable lateral interactions among the adsorbed chemicals, and there in particular for the uniform adlayers resulting in poisoned regimes with predominant coverage of one species. Using first-principles kinetic Monte Carlo simulations and the CO oxidation at RuO(2)(110) as a showcase, we demonstrate that even in this limit mean-field rate equations fail to predict the catalytic activity by orders of magnitude. This deficiency is traced back to the inability to account for the vacancy pair formation that is kinetically driven by the ongoing reactions. 相似文献
56.
Hakim Mabed Alexandre Caminada Jin-Kao Hao 《Computational Optimization and Applications》2011,50(3):483-506
The contribution of this work is twofold. Firstly, we introduce a new channel assignment model for GSM radio networks. In
this model both spatial and temporal variations of traffic are taken into account in order to improve network capacity and
robustness. Secondly, using this model, we develop an original and effective hybrid algorithm to get high quality frequency
plans. This algorithm combines a problem specific crossover and a Tabu search procedure. The proposed model and hybrid algorithm
are evaluated using both artificial and real data. Computational results allow us to confirm the effectiveness of the proposed
approach. 相似文献
57.
Chiraz Youssef Hamed Ben Ammar Mohamed Belhouchet Kassem Beydoun Ridha Ben Salem Henri Doucet Pierre H. Dixneuf 《Journal of heterocyclic chemistry》2011,48(5):1126-1131
2‐(Arylidene)cyanomethylbenzoxazoles have been prepared in water from benzoxazole‐2‐ylacetonitriles. Using multi‐component reactions, a variety of heterocycles containing benzoxazole and nitrile functionality has been prepared. J. Heterocyclic Chem., (2011). 相似文献
58.
Takagi T Shum D Parisi M Santos RE Radu C Calder P Rizvi Z Frattini MG Djaballah H 《Combinatorial chemistry & high throughput screening》2011,14(8):669-687
Several assay technologies have been successfully adapted and used in HTS to screen for protein kinase inhibitors; however, emerging comparative analysis studies report very low hit overlap between the different technologies, which challenges the working assumption that hit identification is not dependent on the assay method of choice. To help address this issue, we performed two screens on the cancer target, Cdc7-Dbf4 heterodimeric protein kinase, using a direct assay detection method measuring [(33)P]-phosphate incorporation into the substrate and an indirect method measuring residual ADP production using luminescence. We conducted the two screens under similar conditions, where in one, we measured [(33)P]-phosphate incorporation using scintillation proximity assay (SPA), and in the other, we detected luminescence signal of the ATP-dependent luciferase after regenerating ATP from residual ADP (LUM). Surprisingly, little or no correlation were observed between the positives identified by the two methods; at a threshold of 30% inhibition, 25 positives were identified in the LUM screen whereas the SPA screen only identified two positives, Tannic acid and Gentian violet, with Tannic acid being common to both. We tested 20 out of the 25 positive compounds in secondary confirmatory study and confirmed 12 compounds including Tannic acid as Cdc7-Dbf4 kinase inhibitors. Gentian violet, which was only positive in the SPA screen, inhibited luminescence detection and categorized as a false positive. This report demonstrates the strong impact in detection format on the success of a screening campaign and the importance of carefully designed confirmatory assays to eliminate those compounds that target the detection part of the assay. 相似文献
59.
Y. A. Ammar A. M. Sh. El‐Sharief A. G. Al‐Sehemi Y. A. Mohamed M. A. Senussi M. S. A. El‐Gaby 《中国化学会会志》2005,52(3):553-558
Ketene dithioacetal 3 , aminopyrazole 5 , tetrazine 7 , benzoazole 9 and pyridone 11 , 12 , 13 and 16 derivatives were prepared from cyanoacetanilide 1 as a starting material. 相似文献
60.
The asymmetric exclusion model describes a system of particles hopping in a preferred direction with hard core repulsion. These particles can be thought of as charged particles in a field, as steps of an interface, as cars in a queue. Several exact results concerning the steady state of this system have been obtained recently. The solution consists of representing the weights of the configurations in the steady state as products of non-commuting matrices. 相似文献