Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Charge-transfer excitons in DNA.

E M Conwell1, P M McLaughlin, S M Bloch

  • 1Departments of Chemistry and Physics, University of Rochester, Rochester, New York 14627, USA. conwell@chem.rochester.edu

The Journal of Physical Chemistry. B
|February 1, 2008
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Localization of a hole on an adenine-thymine radical cation in B-form DNA in water.

The journal of physical chemistry. B·2011
Same author

Climate change and the integrity of science.

Science (New York, N.Y.)·2010
Same author

Integrated Optics: a Report on the 2nd OSA Topical Meeting.

Applied optics·2010
Same author

Expression of EpCAM is up-regulated during regeneration of renal epithelia.

The Journal of pathology·2008
Same author

Effect of water drag on diffusion of drifting polarons in DNA.

The journal of physical chemistry. B·2006
Same author

Polarons in DNA: transition from guanine to adenine transport.

The journal of physical chemistry. B·2006
Same journal

From Cation Solvation to Anion Coordination: Lewis-Acidic Boranes Enable Halide Salt Electrolytes.

The journal of physical chemistry. B·2026
Same journal

In Vitro-Prepared A30P Alpha-Synuclein Fibrils Adopt the Conserved and Disease-Relevant Greek Key Fold.

The journal of physical chemistry. B·2026
Same journal

Metastructure Analysis of Self-Assembled Nanocubes with Different Equatorial Methyl Groups Based on Molecular Dynamics Simulations.

The journal of physical chemistry. B·2026
Same journal

A Cocoordinated <sup>1</sup>H Internal Reference Quantifies Proton-Exchange Bias in Coordinated-Water Diffusion.

The journal of physical chemistry. B·2026
Same journal

Unveiling Electrolyte-Dependent Coordination Site Dynamics for Redox Mediator Design in Lithium-O<sub>2</sub> Batteries: Exchange vs Rearrangement.

The journal of physical chemistry. B·2026
Same journal

The Role of Functional Groups in Substituted Benzoic Acids Used as Dopants in Liquid Crystal Mixtures on the Nematic-Isotropic Transitions.

The journal of physical chemistry. B·2026
See all related articles

This study explores charge-transfer excitons in DNA, considering electron-hole interactions and water polarization effects. Calculations show these polaronic excitons have lower energies, aligning with experimental DNA exciton delocalization.

Area of Science:

  • * Biophysics
  • * Theoretical Chemistry
  • * Molecular Biology

Background:

  • * Previous DNA exciton theories often neglected intrachain and interchain wavefunction overlaps.
  • * Experimental evidence indicates exciton delocalization over multiple bases in DNA oligomers and duplexes.
  • * Charge-transfer (CT) excitons in DNA duplexes may possess lower energies than single-chain excitons.

Purpose of the Study:

  • * To calculate properties of CT excitons in adenine-thymine (A/T) DNA duplexes.
  • * To incorporate wavefunction overlaps, polaron formation due to water polarization, and ionic effects.
  • * To investigate the energetic and delocalization properties of CT excitons in DNA.

Main Methods:

  • * Theoretical calculations of CT exciton properties in A/T DNA duplexes.

Related Experiment Videos

  • * Inclusion of intrachain and interchain wavefunction overlaps.
  • * Modeling of polaron formation from water polarization and surrounding ion effects.

    • Main Results:

    • * CT excitons exhibit lowest energy when electron and hole polarons are positioned opposite each other.
    • * The dielectric constant can be adjusted to achieve CT exciton delocalization consistent with experimental observations.
    • * Calculated absorption threshold for CT exciton creation in A/T duplexes agrees with experimental data.

    Conclusions:

    • * Water polarization significantly impacts DNA exciton properties, forming polarons that lower energy.
    • * Theoretical models incorporating these effects accurately predict CT exciton behavior and absorption spectra.
    • * Findings support the role of polaronic CT excitons in DNA photophysics.