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111.
Kouznetsov VV Gómez CM Parada LK Bermudez JH Méndez LY Acevedo AM 《Molecular diversity》2011,15(4):1007-1016
Efficient synthesis of new structurally different 2-(het)aryl-4-amidyl-substituted tetrahydroquinolines 8–29 is reported. The synthesis based on BiCl3-catalyzed three-component Povarov reaction between anilines, (het)aryl aldehydes and enamides offers a fast, safe, and cheap
way for efficient tetrahydroquinoline libraries construction. Using N-vinylamides (N-vinylpyrrolidin-2-one and N-vinylacetamide) in this reaction, it was possible to obtain two series of different cis tetrahydroquinolines with antioxidant properties. Among 14 tested compounds, 7 tetrahydroquinolines revealed a prominent
anti-radical capacity, equal or higher than that of the commercial antioxidants. Being the most active molecule, the N-[2-(α-furanyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl] acetamide 21 was ca. 2.2-fold more potent than the well-known antioxidant, vitamin E (α-tocopherol). 相似文献
112.
Griffin CD Acevedo R Massey DW Kinsey JL Johnson BR 《The Journal of chemical physics》2006,124(13):134105
Wavelets provide potentially useful quantum bases for coupled anharmonic vibrational modes in polyatomic molecules as well as many other problems. A single compact support wavelet family provides a flexible basis with properties of orthogonality, localization, customizable resolution, and systematic improvability for general types of one-dimensional and separable systems. While direct product wavelet bases can be used in coupled multidimensional problems, exponential scaling of basis size with dimensionality ultimately provides limits on the number of coupled modes that can be treated simultaneously in exact quantum calculations. The molecular self-consistent-field plus configuration-interaction method is used here in multimode wavelet calculations to reduce the basis size without sacrificing flexibility or the ability to systematically control errors. Both two-dimensional Cartesian coordinate and three-dimensional curvilinear coordinate systems are examined with wavelets serving as universal bases in each case. The first example uses standard Daubechies [Ten Lectures on Wavelets (SIAM, Philadelphia (1992)] wavelets for each mode and the second adapts symmlet wavelets to intervals for each of the curvilinear coordinates. 相似文献
113.