Study of the carcinogenic mechanism for XXXX --extended bay region theory and its quantitative model.

@entity53054 @entity2555 @entity10518 @entity2556 @entity105 @entity16028
With the help of results on the metabolism and the carcinogenic activities of @entity2555 ( @entity2556 ), the comprehensive metabolic process in vivo is discussed. It is thought that the carcinogenic activity exhibited by a @entity2556 is determined by the competition between the @entity105 and @entity10518 in which it participates. It is suggested that the essential agent of @entity105 should be, as a rule, the highest delocalization energy (beta unit) of the @entity53054 ion at the @entity16028 (A region), which is obtained by the pertubational molecular orbit (PMO) method. Since there are no essential distinctions in the molecular geometry and delocalization energy states between two @entity53054 ions of the @entity16028 and of the bay region, the A region can be looked upon as the extended bay region. On the basis of discussion of the overall metabolism, evaluation of the @entity10518 efficacy of each kind of the competing carcinogenic factors, including the biological factor B and three structural factors of the @entity2556 molecule: K, A and L, was made. After making necessary approximation, K = 0.228, A = 0.5, L = 1.22 and B = 0.7 are obtained. It can be seen from these values that the L region plays the most important role in @entity10518 processes, and the K region plays the least important role. The effect of biological factor B is approximately the sum of the K region and the A region. This paper suggests the concept of a carcinogenic constant. For the @entity2556 with the same number of aromatic rings (N), C is a constant. The curve of function C = f(N), including the extensional line, is an isosceles triangle. The author suggests that it should be called the 'Pyramid Rule'. The final form of the quantitative equation is log R = C[delta E3deloc/(0.7 + 0.228nk + 0.5na + 1.22n1)]. The values for 50 @entity2556 which had been tested by animal experiments were calculated. Of these, 92% of the @entity2556 are in agreement with experiments on carcinogenic activities.
