Skip NavigationSkip to Content
Return Return to Search Results

A quantum mechanical study on the electrostratic interactions of poly(L-lysine)center dot alkyl sulfate complexes

  1. Author:
    Aleman, C.
    Zanuy, D.
    Casanovas, J.

  2. Author Address

    Univ Politecn Catalunya, Dept Engn Quim ETS, Engn Ind Barcelona, Diagonal 647, E-08028 Barcelona, Spain Univ Politecn Catalunya, Dept Engn Quim ETS, Engn Ind Barcelona, E-08028 Barcelona, Spain NCI, Lab Expt & Computat Biol, Frederick, MD 21702 USA Univ Lleida, Dept Quim, Escola Univ Politecn, Lleida 25001, Spain Aleman C Univ Politecn Catalunya, Dept Engn Quim ETS, Engn Ind Barcelona, Diagonal 647, E-08028 Barcelona, Spain
    1. Year: 2003
  2. Journal: Journal of Physical Chemistry A
    1. 107
    2. 20
    3. Pages: 4151-4156
  4. Type of Article: Article
  1. Abstract:

    We report a quantum mechanical study on the electrostatic interactions found in poly(L-lysine)(.)alkyl sulfate complexes, which are materials with interesting technological properties able to adopt self-assembled supramolecular structures. For this purpose, 19 reduced complexes were considered in the gas phase, chloroforrn solution, and aqueous solution. Calculations in the gas phase were carried out up to the MP2/6-311++G(d,p) level, while the influence of the bulk solvent was investigated at the HF/6-311++G(d,p) level using the polarizable continuum model. The electrostatic interaction characteristics of poly(L- lysine)(.)alkyl sulfate complexes have been compared with those of alkyltrimethylammonium(.)poly(alpha,L-glutamate) complexes, a related family of materials previously investigated.

    See More

  1. Keywords:

External Sources

  1. No sources found.

Library Notes

  1. No notes added.
NCI at Frederick

You are leaving a government website.

This external link provides additional information that is consistent with the intended purpose of this site. The government cannot attest to the accuracy of a non-federal site.

Linking to a non-federal site does not constitute an endorsement by this institution or any of its employees of the sponsors or the information and products presented on the site. You will be subject to the destination site's privacy policy when you follow the link.

ContinueCancel