Electron transfer in DNA

Siriwong, Khatcharin; Voityuk, Alexander A.

doi:10.1002/wcms.1102

Cited by 39 publications

(51 citation statements)

References 108 publications

(200 reference statements)

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“…An important consideration when using chemically modified DNA duplexes is whether the modification alters the DNA structure. Siriwong and Voityuk have employed long‐timescale QM/MD simulations to compare structural and electronic parameters for A‐tracts in DNA oligomers with those in SA‐A n ‐SD capped hairpins 41. They found that the capping SA has relatively small effects on both the structure of the π‐stack and the hole transport couplings when averaged over MD trajectories.…”

Section: Photoinduced Charge Transportmentioning

confidence: 99%

Distance‐Dependent Electronic Interactions Across DNA Base Pairs: Charge Transport, Exciton Coupling, and Energy Transfer

Lewis

2013

Israel Journal of Chemistry

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Section: Photoinduced Charge Transportmentioning

confidence: 99%

Distance‐Dependent Electronic Interactions Across DNA Base Pairs: Charge Transport, Exciton Coupling, and Energy Transfer

Lewis

2013

Israel Journal of Chemistry

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“…The two strands can be melted to form two single stranded DNA (ssDNA) molecules by high temperature, low salt and high pH. Since 1962 that electrical properties of DNA has been reported, the superconducting, conducting, semiconducting or insulating properties have been observed in DNA [2]. DNA sequencing (sensing the bases type and their order in a pitch) is an essential step toward personalized medicine for improving human health [3].…”

Section: Introductionmentioning

confidence: 99%

Graphene Sculpturene Nanopores for DNA Nucleobase Sensing

et al. 2014

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To demonstrate the potential of nanopores in bilayer graphene for DNA sequencing, we computed the current-voltage characteristics of a bilayer graphene junction containing a nanopore and found that they change significantly when nucleobases are transported through the pore. To demonstrate the sensitivity and selectivity of example devices, we computed the probability distribution PX(β) of the quantity β representing the change in the logarithmic current through the pore due to the presence of a nucleobase X (X = adenine, thymine, guanine, or cytosine). We quantified the selectivity of the bilayer-graphene nanopores by showing that PX(β) exhibits distinct peaks for each base X. To demonstrate that such discriminating sensing is a general feature of bilayer nanopores, the well-separated positions of these peaks were shown to be present for different pores, with alternative examples of electrical contacts.

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“…[1][2][3]. This interest is mainly due to the relevance of the charge transfer (CT) phenomenon to the oxidation damage (4,5) and to the potential application of DNA in nanoelectronics (6,7).…”

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confidence: 99%

Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins

Renaud

Berlin

Ratner

2013

Proc. Natl. Acad. Sci. U.S.A.

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Numerical studies of hole migration along short DNA hairpins were performed with a particular emphasis on the variations of the rate and quantum yield of the charge separation process with the location of a single guanine:cytosine (G:C) base pair. Our calculations show that the hole arrival rate increases as the position of the guanine:cytosine base pair shifts from the beginning to the end of the sequence. Although these results are in agreement with recent experimental findings, the mechanism governing the charge migration along these sequences is revisited here. Instead of the phenomenological two-step hopping mechanism via the guanine base, the charge propagation occurs through a delocalization of the hole density along the base pair stack. Furthermore, the variations of the charge transfer with the position of the guanine base are explained by the impact of the base pair substitutions on the delocalized conduction channels.quantum filling | photoinduced hole transfer | stochastic surrogate Hamiltonian D espite a rather long history, investigations of excess charge carriers in DNA remain an area of intensive experimental and theoretical research (reviewed in refs. 1-3). This interest is mainly due to the relevance of the charge transfer (CT) phenomenon to the oxidation damage (4, 5) and to the potential application of DNA in nanoelectronics (6, 7). Experimentally, charge migration through DNA can be probed either by steady-state methods based on measurements of the damage ratio (8-10) or by time-resolved spectroscopic techniques (11)(12)(13)(14). The latter experimental approach was shown to be particularly efficient for monitoring charge motion in DNA hairpins (13). To carry out time-resolved spectroscopic experiments on these small DNA model systems, the opposite ends of the hairpin are capped with stilbene linkers S a and S b , serving as the hole donor and acceptor, respectively. It has been demonstrated that photoexcitation of S a results in the formation of a bound electron-hole pair initially localized on the hole donor. The separation of this pair occurs via the migration of the hole along the hairpin and the subsequent reaction of the positive charge with the stilbene acceptor. Kinetics of the hole arrival at S b , monitored by a second pulse, enable one to deduce the hole arrival rate, k a , and the quantum yield, Φ a , of the charge separation process.Hole migration along hairpins with less than three base pairs is discussed in terms of a single-step superexchange (15-18). In contrast, multistep sequential hopping is assumed to be responsible for charge propagation along longer hairpins (19-23). The competition between these two mechanisms leads to a distance dependence of the hole arrival rate given by:where N is the number of base pairs in the sequence, κ 1 and κ 2 are scaling factors, R 0 = 3:4 A is the mean interbase pair distance, β = 0:5 − 1:0 A −1 is the exponential falloff parameter for the superexchange mechanism (24-29), and η = 1:5 − 2:0 is the exponent of the power law characteristic f...

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Electron transfer in DNA

Cited by 39 publications

References 108 publications

Distance‐Dependent Electronic Interactions Across DNA Base Pairs: Charge Transport, Exciton Coupling, and Energy Transfer

Distance‐Dependent Electronic Interactions Across DNA Base Pairs: Charge Transport, Exciton Coupling, and Energy Transfer

Graphene Sculpturene Nanopores for DNA Nucleobase Sensing

Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins

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