Effect of the environment on the stability of surfactant–polypeptide self‐assembled complexes: Molecular dynamics simulations of stoichiometric complexes formed by N‐dodecyltrimethylammonium and poly(α,L‐glutamate) in chloroform,methanol, and water

A series of molecular dynamics simulations have been performed to study the supramolecular structure of self‐assembled complexes formed by N‐dodecyltrimethylammonium cations and the synthetic polypeptide poly(α,L ‐glutamate). The influence of the type of solvent has been investigated, considering explicit environments of chloroform, water, and methanol on a stoichiometric complex containing 15 residues. In chloroform, the complex stabilizes in a regular structure: the polypeptide adopts an α‐helix conformation that is regularly surrounded by surfactant molecules to form electrostatic interactions through a multiple interaction pattern. However, this structure destabilizes in methanol and water: (a) the α‐helix unfolds in the two solvents and (b) the electrostatic links between the surfactant molecules and the polyanion are disrupted in aqueous solution, although these interactions are still preserved in methanol. The role of the solvent environment in stabilizing or destabilizing the polypeptide secondary structure, the organization of the surfactant molecules, and predominantly the surfactant–polypeptide supramolecular organization is discussed in detail. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1122–1133, 2006     

Existence of magnetic charge

A status report is presented on the existence of quarks carrying the Dirac unit of magnetic chargeg = (137/2)e. The Paschen-Back effect in dyonium is discussed. From the dyonium model, Akers predicted the existence of a new meson at 1814 MeV withI ^G(J^PC) = 0⁺(0^–+). Experimental evidence now confirms the existence of the meson resonance.     

A reply to “a comment on generalized electromagnetism and Dirac algebra”

Issues raised by W. A. Rodrigues, Jr. are discussed.1. This is not a new result; see,e.g., Rohrlich.⁽³⁾ 2. A typographical error in Eq. (77) is corrected here: The productj A in the right-hand parentheses was erroneously transcribed in Ref. (2) as A.3. I define electromagnetic fieldF = A to be that generated by electric charges and the magnetoelectric fieldG = M to be that generated by magnetic monopoles:F F +₅ G. 4. Rodrigues, on the other hand, takes the position that the importance of the Lagrangian formulation should be downgraded if not discarded altogether: ... it is redundant to look for Lagrangians.⁽¹⁾ 5. In fact, he reformulates it using the language of differential forms.6. It is interesting to observe that this bilinear form has the additional virtue of being appropriate for dealing with the monopolecharge parity question, which was pointed out long ago.⁽¹⁴⁾ 7. In fact, even mathematics looks to Nature for its authority.⁽¹⁶⁾ There is evidence that Rodrigues does not understand this concept.⁽¹⁷⁾     

Self-assembly of a hydrophobic groove

Heptakis(2,6-di-O-methyl)-β-cyclodextrin interacts with 5,15-diphenylporphine to produce a 2:1 complex in dimethyl sulfoxide. This complex possesses a hydrophobic groove that circumscribes the metal binding site of the porphyrin moiety.     

Terminally functionalized polyisobutylene oligomers as soluble supports in catalysis

A new phase selective hydrocarbon soluble polymer support is described.     

Sequential transition States and the valley-ridge inflection point in the formation of a semibullvalene

[structure: see text] Two sequential transition states are calculated at the B3LYP/6-31G(d,p) level for the deazetization of 3b. The intrinsic reaction coordinate for loss of nitrogen passes through a transition state and then a valley-ridge inflection point and ultimately leads to the transition state for the Cope rearrangement of semibullvalene 4b. The energetic and geometrical consequences are discussed.