Potential Sutherland

Hidy and Brock used the Sutherland potential [a hard core for I < a and attractive potential K(l ) for I > ff] and found that an approximate solution to the Boltzmann equation gave... 

The HS, SS, SW, and Sutherland potentials are highly idealized approximations that are nowadays rather used for the development of liquid state theories. 

Figure 11 Some potential energy versus distance curves (a) hard-spheres potential, (b) soft-spheres potential, (c) Sutherland potential, (d) square-well potential (e) Kreglewski potential, (f) bireciprocal potential...

K. A. Shoberu, and A.G. Sutherland, Potential use of carbocyclic nucleosides for the treatment of AIDS chemo-enzymatic syntheses of the enantiomers of carbovir, J. Chem. Soc., Perkin Trans. 1 589 (1992). 

Naturally, the equation of state of a Lennard-Jones fluid cannot be determined anal54ically. An analytical expression derivation is feasible for particles interacting with the Sutherland potential, discussed in the next section. 

Let us consider a non-ideal gas in the AF T ensemble. Assume that the gas particles interact with the Sutherland potential (Fig. 8.3), expressed... 

The Sutherland model is illustrated in Figure 4.7h. The Sutherland potential accounts for both attractive and repulsive forces however, there is discontinuity right at r = (7. What would the ideal gas model look like on the plots in Figure 4.7 ... 

We will now use our knowledge of intermolecular interactions to modify the ideal gas model for situations when potential interactions between the species are important. In this section, we will use the Sutherland potential function to describe the intermolecular interactions, that is, use the hard sphere model to account for repulsive forces and van der Waals interactions to describe attractive forces. This development leads to the van der Waals equation of state. This equation is particularly well suited for illustrating how the molecular concepts we learned about in Section 4.2 can be related to macroscopic property data. However, it should be emphasized that more accurate equations of state have been developed and will be covered next. 

This equation was first proposed by the Dutch physicist van der Waals in 1873. Since it assumes a 1/r dependence for all attractive forces, any force with this functionality (be it dispersion, dipole-dipole, or induction) has been termed a van der Waals force. The parameter a in Equation (4.15) can be related to molecular constants by integrating the Sutherland potential function. This calculation gives a = 2ttN Cq)/. In practice, a and b are treated as empirical constants that account for the magnitude of the attractive and repulsive forces. Can you think of how we might find values for the constants a andfc ... 

Watts CK, Sutherland RL (1987) Studies on the ligand specificity and potential identity of microsomal antiestrogen-binding sites. Mol Pharmacol 31 541-551... 

Taylor, S.J.C., Sutherland, A.G., Lee, C., Wisdom, R., Thomas, S., Roberts, S.M. and Evans, C., Chemoenzymatic synthesis of (—)-carhovir utilizing a whole cell catalysed resolution of 2-azabicyclo[2.2.1 ]hept-5-en-3-one. J. Chem. Soc. Chem. Commun., 1990, 1120-1121 Evans, C.T., Roberts, S.M., Shoheru, K.A. and Sutherland, A.G., Potential use of carbocyclic nucleosides for the treatment of AIDS chemo-enzymatic syntheses of the enantiomers of carbovir. J. Chem. Soc. Perkin Trans. 1,1992, 589-592. 

A variety of features may be included in protocols to improve the process of obtaining informed consent. These include repeated exposure to the information in the protocol multiple avenues of communication (verbal, written, etc.) language use that is simple, in small units, and comprehensible use of patient educators who can review relevant information with the potential subject, explain the study s purpose and process, and answer any questions and attention to personal aspects of consent, including motivation, cultural and developmental issues, expectations, and investigator-participant relationship issues (Applebaum and Grisso, 1988 1995 Sutherland, et al. 1994 Bonnie, 1997 Roberts, 1998a,b). 

The Tomonaga-Luttinger model is insufficient for the evaluation of Su> in the presence of interaction it implies linear electron spectrum, which yields [12] Su> = 0. Accounting for the curvature of the electron spectrum complicates the treatment of the interaction greatly. The width Su> can be explicitly evaluated in the Calogero-Sutherland model which is characterized by a very specific interaction potential,... 

More recently, Costain and Sutherland 139> using a valence force model proposed the following potential for inversion vibrations in AX3 systems ... 

Molecular mechanics with special treatment of hydrogen bonding, solvation, and metal ions. Also Yak for receptor modeling based on directionality of potential binding points on a ligand. VAX, Silicon Graphics, and Evans 8c Sutherland. 

Biron JP, Parkes AL, Pascal R, Sutherland JD. Expeditious, potentially primordial, aminoacylation of nucleotides. Agnew. Chem. Int. Ed. Engl. 2005 44 6731-6374. 

A potential limction consists of one or more parameter sets that fit the equation and atom types to experimental data. Each of these functions usually contains a small number of adjustable parameters that can be used to optimize the simulations. There are live main potential functions the hard sphere (HS) potential, the soft sphere (SS) potential, Sutherland (S) potential, the Lennard-Jones potential, and the Buckingham (B) potential (2). This section provides a brief review of the most frequently used potential function [Lennard-Jones (LJ) potential] and its application for molecular modeling. 

The most frequently used model potentials are Rigid sphere, point center of repulsion, Sutherland s model, Lennard-Jones potential, modified Buckingham potential, Kihara potential, Morse potential. Their advantages and disadvantages are thoroughly discussed elsewhere [39] [28]. 

Taylor, R., Sutherland, W., Reist, C., Webb, D. J., Wright, S., and Labunguen, R. (1991) Use of heteropolymeric monoclonal antibodies to attach antigens to the C3b receptor of human erythrocytes a potential therapeutic treatment. Proc. Natl. Acad. Sci. USA 88, 3305-3309. 

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