Molecular restricted

Molecular Restricted Diffusion Within an Electrostatic Field of Force... 

Cation and anion flux across cultured cell monolayers by molecular restricted diffusion within an electrostatic field of force across aqueous pores has been described with a model derived by Adson et al. (1994). The ion fluxes per cross-sectional area of the cell monolayer are defined as... 

Table 5 Permeability Coefficients of the Paracellular Pathway and Estimation of the Effective Pore Radius and Molecular Restriction Factor for the Caco-2 Cell Monolayer... 

Figure 9 Molecular restriction factor as a function of the ratio of molecular radius to pore radius for paracellular permeants in Caco-2 cell monolayers. Mean pore radius is 1.2 nm.

Figure 10 Paracellular permeability of charged solutes as a consequence of their molecular radius illustrates the mechanism of molecular restricted diffusion across negatively charged pores. Solid line depicts the curve drawn through the permeability coefficients of neutral solutes, and the neutral image of positively and negatively charged permeants.

Figure 13 Estimated molecular restriction of mannitol in the lateral space of MDCK and Caco-2 cell monolayers. The lateral space was assumed to be a rectangular slit. Molecular restriction functions for slits and cylindrical pores are put into perspective.

Kohler G, Shulman MJ (1978), Cellular and molecular restrictions of the lymphocyte fusion, Curr. Top. Microbiol. Immunol. 81 143-148. 

In certain crystals, e.g. in quartz, there is chirality in the crystal structure. Molecular chirality is possible in compounds which have no chiral carbon atoms and yet possess non-superimposable mirror image structures. Restricted rotation about the C=C = C bonds in an allene abC = C = Cba causes chirality and the existence of two optically active forms (i)... 

It would appear that identical particle pemuitation groups are not of help in providing distinguishing syimnetry labels on molecular energy levels as are the other groups we have considered. However, they do provide very usefiil restrictions on the way we can build up the complete molecular wavefiinction from basis fiinctions. Molecular wavefiinctions are usually built up from basis fiinctions that are products of electronic and nuclear parts. Each of these parts is fiirther built up from products of separate uncoupled coordinate (or orbital) and spin basis fiinctions. Wlien we combine these separate fiinctions, the final overall product states must confonn to the pemuitation syimnetry mles that we stated above. This leads to restrictions in the way that we can combine the uncoupled basis fiinctions. 

The scope of this section restricts the discussion. One omitted topic is the collision and interaction of molecules with surfaces (see [20, 21] and section A3.9). This topic coimects quantum molecular dynamics in gas and condensed phases. Depending on the time scales of the interaction of a molecule witli a surface, the... 

The classical microscopic description of molecular processes leads to a mathematical model in terms of Hamiltonian differential equations. In principle, the discretization of such systems permits a simulation of the dynamics. However, as will be worked out below in Section 2, both forward and backward numerical analysis restrict such simulations to only short time spans and to comparatively small discretization steps. Fortunately, most questions of chemical relevance just require the computation of averages of physical observables, of stable conformations or of conformational changes. The computation of averages is usually performed on a statistical physics basis. In the subsequent Section 3 we advocate a new computational approach on the basis of the mathematical theory of dynamical systems we directly solve a... 

Clearly, a free energy of binding computed with (9), (10) and (13) refers to a highly restricted state of the dissociated ligand. In order to convert such a free energy to a free energy relative to a normal standard state with volume per molecule Vg and no restriction on the molecular orientation, the following term must be added... 

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