Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes

2012 ◽  
Vol 134 (22) ◽  
pp. 9335-9342 ◽  
Author(s):  
Emil Wierzbinski ◽  
Arnie de Leon ◽  
Xing Yin ◽  
Alexander Balaeff ◽  
Kathryn L. Davis ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Backbone Flexibility ◽  
Transfer Rates

Correction to Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes

2012 ◽  
Vol 134 (31) ◽  
pp. 13141-13141 ◽  
Author(s):  
Emil Wierzbinski ◽  
Arnie de Leon ◽  
Xing Yin ◽  
Alexander Balaeff ◽  
Kathryn L. Davis ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Backbone Flexibility ◽  
Transfer Rates

Role of Nucleobase Energetics and Nucleobase Interactions in Single-Stranded Peptide Nucleic Acid Charge Transfer

2009 ◽  
Vol 131 (18) ◽  
pp. 6498-6507 ◽  
Author(s):  
Amit Paul ◽  
Silvia Bezer ◽  
Ravindra Venkatramani ◽  
Laura Kocsis ◽  
Emil Wierzbinski ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid

Evidence for a Near-Resonant Charge Transfer Mechanism for Double-Stranded Peptide Nucleic Acid

2011 ◽  
Vol 133 (1) ◽  
pp. 62-72 ◽  
Author(s):  
Ravindra Venkatramani ◽  
Kathryn L. Davis ◽  
Emil Wierzbinski ◽  
Silvia Bezer ◽  
Alexander Balaeff ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Transfer Mechanism ◽  
Charge Transfer Mechanism ◽  
Resonant Charge Transfer

Distance Dependence of the Charge Transfer Rate for Peptide Nucleic Acid Monolayers†

2010 ◽  
Vol 114 (45) ◽  
pp. 14140-14148 ◽  
Author(s):  
Amit Paul ◽  
Richard M. Watson ◽  
Emil Wierzbinski ◽  
Kathryn L. Davis ◽  
Allen Sha ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Transfer Rate ◽  
Charge Transfer Rate ◽  
Distance Dependence

Charge Transfer through Single-Stranded Peptide Nucleic Acid Composed of Thymine Nucleotides

2008 ◽  
Vol 112 (18) ◽  
pp. 7233-7240 ◽  
Author(s):  
Amit Paul ◽  
Richard M. Watson ◽  
Paul Lund ◽  
Yangjun Xing ◽  
Kathleen Burke ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid

Molecular insights on the dynamic stability of peptide nucleic acid functionalized carbon and boron nitride nanotubes

2021 ◽  
Vol 23 (1) ◽  
pp. 219-228
Author(s):  
Nabanita Saikia ◽  
Mohamed Taha ◽  
Ravindra Pandey
Keyword(s):  
Nucleic Acid ◽  
Boron Nitride ◽  
Nucleic Acids ◽  
Dynamic Stability ◽  
Peptide Nucleic Acid ◽  
Rational Design ◽  
Peptide Nucleic Acids ◽  
Boron Nitride Nanotubes ◽  
Molecular Hybrids ◽  
Single Wall Nanotubes

The rational design of self-assembled nanobio-molecular hybrids of peptide nucleic acids with single-wall nanotubes rely on understanding how biomolecules recognize and mediate intermolecular interactions with the nanomaterial's surface.

Photoinduced Charge Transfer Dynamics in Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule

2020 ◽  
Author(s):  
Zhengqing Tong ◽  
Margaret S. Cheung ◽  
Barry D. Dunietz ◽  
Eitan Geva ◽  
Xiang Sun
Keyword(s):  
Charge Transfer ◽  
Golden Rule ◽  
Time Dependent ◽  
Rate Coefficients ◽  
Initial State ◽  
Photoinduced Charge Transfer ◽  
Transfer Rates ◽  
Fermi's Golden Rule ◽  
Photoinduced Charge ◽  
Fermi’S Golden Rule

The nonequilibrium Fermi’s golden rule (NE-FGR) describes the time-dependent rate coefficient for electronic transitions, when the nuclear degrees of freedom start out in a <i>nonequilibrium</i> state. In this letter, the linearized semiclassical (LSC) approximation of the NE-FGR is used to calculate the photoinduced charge transfer rates in the carotenoid-porphyrin-C<sub>60</sub> molecular triad dissolved in explicit tetrahydrofuran. The initial nonequilibrium state corresponds to impulsive photoexcitation from the equilibrated ground-state to the ππ* state, and the porphyrin-to-C<sub>60</sub> and the carotenoid-to-C<sub>60</sub> charge transfer rates are calculated. Our results show that accounting for the nonequilibrium nature of the initial state significantly enhances the transition rate of the porphyrin-to-C<sub>60</sub> CT process. We also derive the instantaneous Marcus theory (IMT) from LSC NE-FGR, which casts the CT rate coefficients in terms of a Marcus-like expression, with explicitly time-dependent reorganization energy and reaction free energy. IMT is found to reproduce the CT rates in the system under consideration remarkably well.

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