Topology modelling

The chromatographic capacity factor (AT ) for ester and amide derivatives of 6,6a, 7,8,9,10,10a, 11-octahydro-ll-oxodibenzo[ /]thiepine propionic acid 44, potent antiinflammatory agents, has been studied, since the parameter was widely used for the interpretation of the activity of drugs <2003RRC795>. K, was modeled topologically using molecular redundancy index (MRI), equalized electronegativity (xeq), and van der Waals volume (fw)-... 

Figure 9.34 displays the mapping of a chain in an array of fixed obstacles to the repton model. Topological obstacles form a lattice with cell size equal to the tube diameter. Roughly Ar monomers are in cell I, between the end of the chain A and the point B where the chain finally leaves cell I for... 

Model topology, that is, the interconnections between various components in the model as a whole, and the kinetic parameters associated with each connection determine the dynamies of the model. Interactions between components in the model can be either stimulatory or inhibitory. Series of interactions arranged in the form of loops can function as either positive or negative feedback. These feedback loops, depending on the parameter values, can display nonlinear dynamic behaviors such as oscillation and bistability (Bhalla etal., 2002 Hoffmann etal., 2002). These various features ean in turn modulate the response of the system to input signals, making complex dose responses such as switchlike or nonmonotonic ones possible. 

FIGURE 3 Dependence of electromagnetic susceptibility s equilibrium coefficient on statistical parameter, which defines amount of fragments DGEBA in experimental models topological structure. 

M. Trodden, A.-C. Davis, R. Brandenberger, Particle physics models, topological defects and electroweak baryogenesis. Phys. Lett. B 349, 131-136 (1995)... 

Now we turn otrr attention to one of the key questions of polymer dynamics what is the best way to model topological interactions in long-chain molecules In other words, one wants to develop a single-chain model where interchain interactions are modeled in a way that mimics all observables obtained in multichain models (which we presume represent the reality). It is dear that in order to do so one has to go beyond all unentangled models we considered, which mimic interchain interactions with random and friction forces only. 

A Topologicalindividual is a subclass of TopologicalThing and is the superclass of the classes used for modeling topological entities and relationships. 

Having the model topology, it is possible to apply matching torsion and bending moments. The analysis time with commercial FEA software (ANSYS, COSMOS, ALGOR, etc) may be one day to two weeks, depending on the mesh size with the Traditional DOE-FEA method. 

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