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排序方式: 共有1451条查询结果,搜索用时 15 毫秒
1.
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
2.
Condeixa Lucas Dias Silva Pierry Moah Diego Farias Brenda Leiras Adriana 《Central European Journal of Operations Research》2022,30(3):921-940
Central European Journal of Operations Research - Societal awareness and legislation changes concerning sustainability have affected how organizations generate value for stakeholders, as well as... 相似文献
3.
The notion of Kuratowski convergence is applied to describe a kind of convergence in the context of holomorphic functions. We associate it to a convenient topology, explore its relation with the compact-open topology, thus providing a new set theoretic point of view of this classic topology, and present it in the framework of set-valued mappings. 相似文献
4.
Alvim Adriana C.F. Ribeiro Celso C. Glover Fred Aloise Dario J. 《Journal of Heuristics》2004,10(2):205-229
We propose in this work a hybrid improvement procedure for the bin packing problem. This heuristic has several features: the use of lower bounding strategies; the generation of initial solutions by reference to the dual min-max problem; the use of load redistribution based on dominance, differencing, and unbalancing; and the inclusion of an improvement process utilizing tabu search. Encouraging results have been obtained for a very wide range of benchmark instances, illustrating the robustness of the algorithm. The hybrid improvement procedure compares favourably with all other heuristics in the literature. It improved the best known solutions for many of the benchmark instances and found the largest number of optimal solutions with respect to the other available approximate algorithms. 相似文献
5.
Adriana Tudose 《Tetrahedron letters》2006,47(48):8529-8533
Simple catalysts formed in situ from palladium acetate and a variety of imidazolium and imidazolinium carboxylates and dithiocarboxylates have been screened in the coupling of aryl halides with trans-2-phenylvinylboronic acid. Imidazol(in)ium carboxylates show an excellent activity, which compares to that displayed by the parent imidazol(in)ium chlorides, whereas imidazol(in)ium dithiocarboxylates are poorly efficient. Interestingly, the base employed exerts a profound influence on the trans/cis stereochemistry of the coupling product. 相似文献
6.
Peter D. Verhaert Maria C. Prieto Conaway Tonya M. Pekar Ken Miller 《International journal of mass spectrometry》2007,260(2-3):177
Direct tissue imaging was performed on dissected insect tissue using a MALDI ion trap to visualize endogenous neuropeptides. Coupling tissue imaging to tandem MSn allows for the identification of previously known species and the ability to identify new ones by de novo sequencing, as searchable databases for insects are sparse. Direct tissue imaging is an attractive technique for the study of neuropeptides as minimal sample preparation is required prior to mass spectrometry. We successfully identified neuropeptides present in the corpora cardiaca and allata of Acheta domesticus (the house cricket). Diagnostic fragments at low m/z were used to distinguish between lipids and neuropeptides. The distribution of peptides appears to be more differentially localized than that of phospholipids, which seem to be more evenly distributed within the tissue. 相似文献
7.
8.
N. Jiten Singh Adriana C. Olleta Anupriya Kumar Mina Park Hai-Bo Yi Indrajit Bandyopadhyay Han Myoung Lee P. Tarakeshwar Kwang S. Kim 《Theoretical chemistry accounts》2006,115(2-3):127-135
In earlier studies, the interactions of isolated ionic species with various solvents were investigated using ab initio calculations.
The ionic species investigated included cations (proton, hydronium, ammonium, and metal cations) and anions (single electron,
hydroxide, and halide anions). However in the present study, we investigate the interactions of these ionic species with the
solvent in the presence of other competing ionic species. We also elaborate on how the information obtained from these extensive
studies have been employed in designing and synthesizing various kinds of novel ionophores and receptors. 相似文献
9.
J. Lí nares M. V. P Rez R. E. La Fuente X. Prieto C. Montero L. Gato J. I. Rodriguez C. G mez-Reino 《Fiber and Integrated Optics》1993,12(3):231-245
An experimental analysis of graded-index (GRIN) planar waveguides produced by ion exchange in soda-lime glass is presented. This study is based on a recent model describing nonlinear diffusion. Likewise the modal coupling between planar waveguides, produced in the same substrate, is analyzed in order to design efficient integrated optical components. Finally, waveguiding structures induced by Kerr effect in glass are proposed and analyzed. 相似文献
10.
Silva L Coutinho A Fedorov A Prieto M 《Journal of photochemistry and photobiology. B, Biology》2003,72(1-3):17-26
Nystatin is a polyene antibiotic frequently applied in the treatment of topical fungal infections. In this work, a 7-nitrobenz-2-oxa-1,3-diazole (NBD) hexanoyl amide derivative of nystatin was synthesized and its detailed photophysical characterization is presented. The average conformation of the labelled antibiotic in tetrahydrofuran, ethanol and methanol was determined by intramolecular (tetraene to NBD) fluorescence resonance energy transfer measurements. At variance with the literature [Can. J. Chem. 63 (1985) 77-85], it was concluded that there is no need to invoke a solvent-dependent conformational equilibrium between extended and closed conformers of the antibiotic, because the mean tetraene-to-NBD separating distance was found to remain constant (approximately 18 A) in all the solvents studied. In addition, the large solvent dependence of the fluorescence anisotropy observed for the non-derivatized nystatin, was rationalized on the basis of the prolate ellipsoidal geometry of the molecule. It was concluded that the rod shaped and amphipathic antibiotic remains monomeric in different solvents within the concentration range studied (2-20 microM). 相似文献