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1.
Li Y. Shi W. H. Dong L. M. Xu S. X. Huang H. J. Yin J. R. 《Journal of Applied Spectroscopy》2022,89(3):534-541
Journal of Applied Spectroscopy - Sr3B2O6:Dy3+, Eu3+ single-matrix white-light-emitting materials are prepared using the high-temperature solid-state method. The microstructure, emission spectrum,... 相似文献
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Dr. Antonio M. Rodríguez Dr. Pilar Prieto Prof. Antonio de la Hoz Prof. Ángel Díaz-Ortiz D. Raúl Martín Prof. José I. García 《ChemistryOpen》2015,4(3):308-317
The aim of this work was to determine the parameters that have decisive roles in microwave-assisted reactions and to develop a model, using computational chemistry, to predict a priori the type of reactions that can be improved under microwaves. For this purpose, a computational study was carried out on a variety of reactions, which have been reported to be improved under microwave irradiation. This comprises six types of reactions. The outcomes obtained in this study indicate that the most influential parameters are activation energy, enthalpy, and the polarity of all the species that participate. In addition to this, in most cases, slower reacting systems observe a much greater improvement under microwave irradiation. Furthermore, for these reactions, the presence of a polar component in the reaction (solvent, reagent, susceptor, etc.) is necessary for strong coupling with the electromagnetic radiation. We also quantified that an activation energy of 20–30 kcal mol−1 and a polarity (μ) between 7–20 D of the species involved in the process is required to obtain significant improvements under microwave irradiation. 相似文献
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Experimental and Theoretical Studies on the Rearrangement of 2‐Oxoazepane α,α‐Amino Acids into 2′‐Oxopiperidine β2,3,3‐Amino Acids: An Example of Intramolecular Catalysis 下载免费PDF全文
Dr. Diego Núñez‐Villanueva Dr. M. Ángeles Bonache Laura Lozano Dr. Lourdes Infantes Prof. José Elguero Prof. Ibon Alkorta Prof. M. Teresa García‐López Dr. Rosario González‐Muñiz Dr. Mercedes Martín‐Martínez 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(6):2489-2500
Enantiopure β‐amino acids represent interesting scaffolds for peptidomimetics, foldamers and bioactive compounds. However, the synthesis of highly substituted analogues is still a major challenge. Herein, we describe the spontaneous rearrangement of 4‐carboxy‐2‐oxoazepane α,α‐amino acids to lead to 2′‐oxopiperidine‐containing β2,3,3‐amino acids, upon basic or acid hydrolysis of the 2‐oxoazepane α,α‐amino acid ester. Under acidic conditions, a totally stereoselective synthetic route has been developed. The reordering process involved the spontaneous breakdown of an amide bond, which typically requires strong conditions, and the formation of a new bond leading to the six‐membered heterocycle. A quantum mechanical study was carried out to obtain insight into the remarkable ease of this rearrangement, which occurs at room temperature, either in solution or upon storage of the 4‐carboxylic acid substituted 2‐oxoazepane derivatives. This theoretical study suggests that the rearrangement process occurs through a concerted mechanism, in which the energy of the transition states can be lowered by the participation of a catalytic water molecule. Interestingly, it also suggested a role for the carboxylic acid at position 4 of the 2‐oxoazepane ring, which facilitates this rearrangement, participating directly in the intramolecular catalysis. 相似文献
5.
Su X. F. Zhang Y. L. Maximov A. L. Zhang K. Xin Q. Feng C. Q. Bai X. F. Wu W. 《Russian Journal of Applied Chemistry》2020,93(1):127-136
Russian Journal of Applied Chemistry - Nanoscale ZSM-5 (AlZ5-D) and Ga-substituted ZSM-5 zeolites ((Al,Ga)Z5-D and GaZ5-D) were synthesized by a green dry-gel conversion strategy. For comparison,... 相似文献
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Journal of Thermal Analysis and Calorimetry - In the present work, pyrolysis kinetic mechanism was studied for regenerated cellulosic fiber (RCF) and composite RCF containing silicon/nitrogen flame... 相似文献
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Application of TiO2-nanotubes/PbO2 as an anode for the electrochemical elimination of Acid Red 1 dye
Santos José Eudes L. de Moura Dayanne Chianca da Silva Djalma Ribeiro Panizza Marco Martínez-Huitle Carlos A. 《Journal of Solid State Electrochemistry》2019,23(2):351-360
Journal of Solid State Electrochemistry - In this study, galvanostatic electrolysis, through the use of the platinum supported on Ti (Ti/Pt) and Ti/TiO2-nanotubes/PbO2 anodes, was conducted in an... 相似文献
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Martín D. Safe 《Journal of Graph Theory》2020,93(2):268-298
A graph is concave-round if its vertices can be circularly enumerated so that the closed neighborhood of each vertex is an interval in the enumeration. In this study, we give a minimal forbidden induced subgraph characterization for the class of concave-round graphs, solving a problem posed by Bang-Jensen, Huang, and Yeo [SIAM J. Discrete Math., 13 (2000), pp. 179–193]. In addition, we show that it is possible to find one such forbidden induced subgraph in linear time in any given graph that is not concave-round. As part of the analysis, we obtain characterizations by minimal forbidden submatrices for the circular-ones property for rows and for the circular-ones property for rows and columns and show that, also for both variants of the property, one of the corresponding forbidden submatrices can be found (if present) in any given matrix in linear time. We make some final remarks regarding connections to some classes of circular-arc graphs. 相似文献
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