The MCS model

A first successful attempt to deal with two of the problems just outlined has been the MCS model of initiation of cancer [16,19]. The model quantifies three important factors influencing carcinogenicity. 

M the metabolic factor relates the probability for M-region epoxidation to that of the competing reactions. 

C stands for carbocation formation during the attack of the ultimate carcinogen on the DNA target sites. 

S a size and solubility factor to which shape and stereospecificity have to be added in a revised form. 

As mentioned before, the Pullmans have designated the metabolically most reactive bond as the M region of the PAH [48-51], 

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Focusing on the CH catastrophe we notice from Eq. (26) that the most dangerous point is where Xa is largest. In the MC models considered this obviously corresponds to a = 0 increasing a orients dipoles and makes them less susceptible to variation of the... 

Different investigations of the possible connection between rotation and the Li dip have appeared in the literature. Most relied on highly simplified descriptions of the rotation-induced mixing processes. In the MC model of Tassoul Tassoul (1982) used by Charbonneau Michaud (1988), the feed-back effect due to angular momentum (hereafter AM) transport as well as the induced turbulence were ignored. Following Zahn (1992), Charbonnel et al. (1992, 1994) considered the interaction between MC and turbulence induced by rotation, but the transport of AM was not treated self-consistently. 

From the efficiency of the MCS model, which is purely topological in nature, it may be concluded that even very complex chemical behaviour of benzenoid hydrocarbons is dominated by molecular topology. 

Table 1. Estimated effects on the formation rate scaling parameter S by the systematic uncertainties in the MC modelling...

The MCS model introduces a simple, but nonetheless effective index M describing the probability of M-region activation as compared to detoxification pathways. A nonconcerted mechanism for the enzymatic epoxidation has been assumed on the basis of experimental [73] and theoretical [74] evidence. The ease of epoxidation is negatively correlated to Nm the smaller of the two Dewar reactivity numbers [36] in the M-region. 

In total, the application of the MC model enabled one to explain and quantitatively describe the influence of thermal effects on wet agglomeration (Terrazas-Velarde et al., 2011) in a never before achieved way, which is not possible by application of conventional PBE approaches. Drying is the key to this explanation - in combination with the access to micro-scale physical interactions that the model provides. 

Experiments involving relaxation of centrally deuterated polystyrene chains in a higher molecular weight matrix recently provided support for the minor chain reptation model.Using infrared dichroism studies of step-strained PS films, the protonated chain-ends were found to relax faster than the centrally deuterated fraction. This is consistent with the MC model shown in Fig. 1(a) where the chain-ends first lose memory of their initial orientation. 

In MC model, the applieation is viewed as a set of nano particles loosely commimicating so as to exchange information and the imderlying architecture has local computation as well as remote communieation eapabilities when needed. The MC model supports a wide range of computational granularities from computation embedded in the yam up to simple or clusters of sensors. 

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