Corey-Pauling-Koltun

Fig. 2. From left to right, Corey-Pauling-Koltun molecular models of cyclohexa-amylose, cycloheptaamylose, and cyclooctaamylose viewed from the secondary hydroxyl side of the torus. 

Fig. 7. Corey-Pauling-Koltun molecular models of cyclohexaamylose complexes with p-f-butylphenyl acetate (top) and wi-t-butylphenyl acetate (bottom).

Fig. 8. Model for the high affinity complex between horse Cc and CcO determined by Roberts and Pique (34). The backbone of horse Cc and CcO subunit II are shown with the side chains of selected lysines and acidic residues colored blue and red, respectively. The residue numbers on subunit II are for R. sphaeroides CcO. Van der Waals surfaces are shown for Cc heme and subunit II Trp143 and Met263. The CuA coppers are represented by green Corey-Pauling-Koltun models. Reprinted with permission from Ref. (18). Copyright 1999, American Society of Biochemistry and Molecular Biology.

As measured on Corey-Pauling-Koltun molecular models the smaller value is for the ring of hydrogen atoms bonded to C-5, and the larger value is for the ring of hydrogen atoms bonded to C-3. The depth of the cyclodextrin cavity is 790-800 pm. 

The donor-acceptor distances were estimated using Corey-Pauling-Koltun molecular models. 

Fig. 27. Corey-Pauling-Koltun (CPK) models of Starburst poly(ethyleneimine) dendrimers of generations 0-5...

CPK Corey-Pauling-Koltun (molecular models) creatine phosphokinase... 

The synthetic peptide was then chromatographed using Cjg reversed phase HPLC. Native "oostatic factor" coeluted with the synthetic peptide indicating that "oostatic hormone" structure is NHj-Tyr-Asp-Pro-Ala-(Pro)j-COOH. A Corey-Pauling-Koltun (CPK) atomic model of the factor indicates that the carboxyl end of the molecule probably exhibits a left-handed helical conformation in solution due to the six proline residues (23). 

FIGURE 14.2 Molecular dynamics simulation of the diffusion of benzene within a hydrated lipid bilayer membrane. Benzene molecules are shown as Corey-Pauling-Koltun (CPK) models atoms in the phospholipid head groups are shown as ball and stick models and hydrocarbon chains and water molecules as dark and light stick models, respectively. (Reproduced with permission from Bassolino-Klinaas D, Alper HE, Stouch TR. Biochemistry 1993 32 12624-37.)... 

The molecular size of an alcohol and the steric bulkiness around a hydroxyl group of the alcohol are expected to influence the rate of the benzylation reaction on zeolite. In this respect, the benzylation of five primary alcohols of different sizes was studied by use of K Y (heterogeneous conditions) in comparison with the results obtained by a conventional, homogeneous method [sodium hydride and benzyl bromide in tetrahydrofuran (THF)], as shown in Table III. The steric hindrance around the hydroxyl groups of the alcohols examined was estimated by use of Corey-Pauling-Koltun (CPK) molecular... 

Corey-Pauling-Koltun volume -> volume descriptors... 

The solution (dichloromethane) spectra of polymers X, XI, and IX can be seen in Fig. 1. Surprisingly, the absorption spectrum of the l.c. p-methoxycinnamate polymer, IX, showed a 10 nm red shift relative to the two non-l.c.-cinnamate polymers, X and XI. We suggest that, in the thermodynamically most stable conformation the p-methoxycinnamate moiety was intramolecularly perturbed by the phenyl ester group. The ester, phenyl p-methoxycinnamate also shows this perturbation, but the alkyl and cycloalkyl esters do not. CPK (Corey-Pauling-Koltun) molecular models sow that the phenyl ester group could assume an orientation that was almost coplanar with the cinnamate moiety which could easily give rise to a 10 nm red shift (see Fig. 2). 

The synthesis of the two bile-acid-derived macrocycles shown in Figure 39 were recently reported by us [56]. Even though Corey-Pauling-Koltun (CPK) models showed that the cavities in these two compounds would be able to encapsulate monocyclic aromatic compounds, detailed binding studies carried out in organic solvents with a variety of aromatic compounds did not show any evidence for appreciable binding. There is clearly scope for design improvement to overcome this problem since the construction of this type of macrocycle is synthetically rather flexible. 

Estimated by the Corey-Pauling-Koltun model n water at 25°C. ... 

CPK Corey-Pauling-Koltun FCFP Functional Connectivity... 

Figure 1.18 Corey-Pauling-Koltun (CPK) model of trifluoro- and trichloromethyl phenyl ketones. Reprinted from Ref. [21 (b)] with permission from Elsevier.

---