Molecular structure distribution

Within the framework of the present model, the molecular-structure distribution of a proteinlike heteropolymer is determined through the expression... 

Its derivation implies a succession of two formal procedures. First, it is necessary to color the homopolymer globule units marking every z -th unit by color of/ with the probability waj(rl) which coincides with the ratio of concentration of units Ma, at point rl to the overall concentration of all units at this point. As a result of such a coloring, the joint distribution for configurations and conformations of proteinlike heteropolymers is obtained. Integration of this distribution over coordinates of all units results in the desired molecular-structure distribution (Eq. 23). 

Synthetic and petroleum sulfonates are analyzed by the same reversed-phase chromatographic system used for the analysis of alkyl ether sulfate surfactants. Similar to alkyl ether sulfates, the sulfonate mixtures are separated into three fractions inorganic salt, sulfonates, and unreacted oil. The analysis of two petroleum sulfonates, NaPS-1 and NaPS-2, is shown in Table 4. Good separation was obtained between the inorganic salt and the sul-fonated components. The oil present in NaPS-1 and NaPS-2 surfactants consisted of low-molecular-weight components, which were totally volatile under the detector operating conditions and, therefore, could not be detected. These two sulfonates are considerably different in molecular structure distribution. However, their elution characteristics were the same as those observed for the synthetic single-component sulfonates. 

R. S. Pearlman CDA News, 2, 1-7 (1987).A. Rusinko III, J.M. Skell, R. Balducci, C.M. McGarity and R.S. Pearlman. CONCORD, A program for the rapid generation of high quality approximate 3D molecular structures. Distributed by Tripos Inc., 1699 Hanley Road, Suite 303, St. Louis, MO 63144 U.S.A. 

In Chapter 5, Dr Iqbal Ramzan and Dr Van Hoan Tran deal with the chemistry of the major psychoactive principles of kava, the kavalactones. The historical identification of the compounds, their molecular structures, distribution in plants, physico-chemical properties and pharmacokinetic behavior, structure activity relationships, and identification of kava chemotypes are presented. 

Program for the Rapid Genetation of High Quality Approximate 3D Molecular Structures , distributed by Tripos A.sso-ciates, St. Louis, MO. 

Zhang, M., Lynch, D. T., Wanke, S. E. Effect of molecular structure distribution on melting and crystallization behavior of 1-butene/ethylene copolymers. Polymer (2001) 42, pp. 3067-3075... 

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