Learn More
MOTIVATION Mutagenicity is among the toxicological end points that pose the highest concern. The accelerated pace of drug discovery has heightened the need for efficient prediction methods. Currently, most available tools fall short of the desired degree of accuracy, and can only provide a binary classification. It is of significance to develop a(More)
We investigated the variation in the interaction energy between the Watson-Crick hydrogen-bonded DNA base pairs guanine and cytosine (G(8X):C), where guanine is substituted in the C8 position by 37 different functional groups. Base pairs were optimized at the B3LYP/6-311+G(2d,p) level. A base pair complex containing a more strongly electron-withdrawing(More)
The substituent effects on interaction energies of hydrogen-bonded DNA Watson-Crick base pairs in the gas phase were captured in a model using ab initio descriptors (at the B3LYP/6-311+G(2d,p) level). While forming a noncovalently bonded complex with unsubstituted guanine (G), cytosine (C) carried 42 possible substituents both at the C6 position (C6X:G) and(More)
OBJECTIVE To evaluate the effects of Kuijiekang Capsule (KJK) on rats colitis induced by TNBS. METHODS Rats with TNBS/ethanol-induced colitis were used and treated with KJK. The experimental animals were divided into 6 groups: control group, model group, SASP group (0.50 g/kg), KJK group (0.64, 0.32, 0.16 g/kg). The animals were administrated 0. 5%(More)
The arc plasma radiation of gas tungsten arc welding (GTAW) is studied in this paper with the application of Avaspec-2048FT optical fiber digital spectrometer. The spectrum distribution from 200 nm to 1000 nm is analyzed. The result showed that different condition of the welding can provide spectrum with different radiation. The radiation in different(More)
  • 1