Winstead, Carl and McKoy, Vincent (2006) Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA. Journal of Chemical Physics, 125 (24). Art. No. 244302. ISSN 0021-9606. doi:10.1063/1.2424456. https://resolver.caltech.edu/CaltechAUTHORS:WINjcp06c
![[img]](https://authors.library.caltech.edu/style/images/fileicons/application_pdf.png)
|
PDF
See Usage Policy. 475kB |
Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:WINjcp06c
Abstract
The authors report results from computational studies of the interaction of low-energy electrons with the purine bases of DNA, adenine and guanine, as well as with the associated nucleosides, deoxyadenosine and deoxyguanosine, and the nucleotide deoxyadenosine monophosphate. Their calculations focus on the characterization of the pi* shape resonances associated with the bases and also provide general information on the scattering of slow electrons by these targets. Results are obtained for adenine and guanine both with and without inclusion of polarization effects, and the resonance energy shifts observed due to polarization are used to predict pi* resonance energies in associated nucleosides and nucleotides, for which static-exchange calculations were carried out. They observe slight shifts between the resonance energies in the isolated bases and those in the nucleosides.
| Item Type: | Article | ||||||
|---|---|---|---|---|---|---|---|
| Related URLs: |
| ||||||
| Additional Information: | ©2006 American Institute of Physics (Received 30 October 2006; accepted 27 November 2006; published online 28 December 2006) The authors gratefully acknowledge support of this work by the U.S. Department of Energy, Office of Basic Energy Sciences, and use of the computational resources of the Caltech-Jet Propulsion Laboratory Supercomputing Project. | ||||||
| Subject Keywords: | DNA; molecular biophysics; polarisation | ||||||
| Issue or Number: | 24 | ||||||
| DOI: | 10.1063/1.2424456 | ||||||
| Record Number: | CaltechAUTHORS:WINjcp06c | ||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:WINjcp06c | ||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 6861 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Archive Administrator | ||||||
| Deposited On: | 29 Dec 2006 | ||||||
| Last Modified: | 08 Nov 2021 20:37 |
Repository Staff Only: item control page
