Page - 77 - in Charge Transport in DNA - Insights from Simulations
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5.5Conclusion
These results provide ameans for the interpretation of the outcomeof conductiv-
ityexperimentswhere theDNAmolecule isstretched,providedtheDNAsequence
contains pyrimidineāpurine steps,which is actually the case in thementioned ex-
periments. The accumulated knowledge makes it possible to construct DNA se-
quences such that theextent towhich their conductivity is affectedby themechan-
ical stress during the experiments is controlled. The suggestion forDNA species
attached with its 3ā-ends to the electrodes would be to avoid pyrimidineāpurine
steps in the nucleobase sequence. Suitable DNA sequences can be opted for in
thedesignofDNA-baseddevices asnano-scale electronic elements,where limited
dependenceof conductivityon length isdesirable.
77
Charge Transport in DNA
Insights from Simulations
- Title
- Charge Transport in DNA
- Subtitle
- Insights from Simulations
- Author
- Mario Wolter
- Publisher
- KIT Scientific Publishing
- Date
- 2013
- Language
- English
- License
- CC BY-SA 3.0
- ISBN
- 978-3-7315-0082-7
- Size
- 17.0 x 24.0 cm
- Pages
- 156
- Keywords
- Charge Transport, Charge Transfer, DNA, Molecular Dynamics, Quantum Mechanics
- Categories
- Naturwissenschaften Chemie
Table of contents
- Zusammenfassung 1
- Summary 3
- 1 Introduction 5
- 2 TheoreticalBackground 11
- 3 SimulationSetup 39
- 4 DNAUnderExperimentalConditions 49
- 5 ChargeTransport inStretchedDNA 69
- 6 ChargeTransport inMicrohydratedDNA 79
- 7 AParametrizedModel toSimulateCT inDNA 89
- 8 Conclusion 105
- Appendix 111
- A DNAUnderExperimentalConditions 111
- B CTinMicrohydratedDNA 117
- List ofPublications 137