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The EtOAc and MeOH extracts of the roots of Toddalia asiatica Lam. were investigated for the roots’ chemical constituents. Two new compounds including 2′R-acetoxytoddanol (1) and 8S-10-O-demethylbocconoline (3) as well as 15 known compounds were isolated. Compound 10 showed strong cytotoxicity against KB cells with an IC50 value of 2.60 μg/mL, which is nearly equal to the ellipticine standard, but showed no activity against Vero cells. Alkaloid 3 displayed weak cytotoxicity against the KB cell line with an IC50 value of 21.69 μg/mL. 相似文献
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Wichien Sang‐Aroon Vithaya Ruangpornvisuti 《International journal of quantum chemistry》2008,108(6):1181-1188
Determination of acid‐dissociation constants, pKa, of aspartic acid in aqueous solution, using density functional theory calculations combined with the conductor‐like polarizable continuum model (CPCM) and with integral‐equation‐formalism polarizable continuum model (IEFPCM) based on the UAKS and UAHF radii, was carried out. The computed pKa values derived from the CPCM and IEFPCM with UAKS cavity model of bare structures of the B3LYP/6‐31+G(d,p)‐optimized tetrahydrated structures of aspartic acid species are mostly close to the experimental pKa values. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 相似文献
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