Fluctuations in biological and bioinspired electron-transfer reactions

SS Skourtis, DH Waldeck… - Annual review of physical …, 2010 - annualreviews.org
Central to theories of electron transfer (ET) is the idea that nuclear motion generates a
transition state that enables electron flow to proceed, but nuclear motion also induces …

DNA-based nanobiostructured devices: The role of quasiperiodicity and correlation effects

EL Albuquerque, UL Fulco, VN Freire, EWS Caetano… - Physics Reports, 2014 - Elsevier
The purpose of this review is to present a comprehensive and up-to-date account of the
main physical properties of DNA-based nanobiostructured devices, stressing the role played …

Spin-selective transport through helical molecular systems

R Gutierrez, E Díaz, R Naaman, G Cuniberti - Physical Review B—Condensed …, 2012 - APS
Highly spin-selective transport of electrons through a helically shaped electrostatic potential
is demonstrated in the frame of a minimal model approach. The effect is significant even for …

Chiral-induced spin selectivity: A polaron transport model

L Zhang, Y Hao, W Qin, S **e, F Qu - Physical Review B, 2020 - APS
Weak hyperfine interactions and spin-orbit coupling (SOC) in organic materials result in long
spin lifetimes, which is very promising for spintronics. On the other hand, they also make it …

A hybrid approach to simulation of electron transfer in complex molecular systems

T Kubař, M Elstner - Journal of The Royal Society …, 2013 - royalsocietypublishing.org
Electron transfer (ET) reactions in biomolecular systems represent an important class of
processes at the interface of physics, chemistry and biology. The theoretical description of …

Sequence-dependent spin-selective tunneling along double-stranded DNA

AM Guo, Q Sun - Physical Review B—Condensed Matter and Materials …, 2012 - APS
We report spin-selective tunneling of electrons along double-stranded DNA sandwiched
between nonmagnetic leads. On the basis of a model Hamiltonian which contains spin-orbit …

A quantum physics layer of epigenetics: a hypothesis deduced from charge transfer and chirality-induced spin selectivity of DNA

R Siebert, O Ammerpohl, M Rossini, D Herb, S Rau… - Clinical …, 2023 - Springer
Background Epigenetic mechanisms are informational cellular processes instructing normal
and diseased phenotypes. They are associated with DNA but without altering the DNA …

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

M Pavanello, T Van Voorhis, L Visscher… - The Journal of …, 2013 - pubs.aip.org
Quantum–mechanical methods that are both computationally fast and accurate are not yet
available for electronic excitations having charge transfer character. In this work, we present …

Nonadiabatic QM/MM simulations of fast charge transfer in Escherichia coli DNA photolyase

PB Woiczikowski, T Steinbrecher, T Kubar… - The Journal of …, 2011 - ACS Publications
In this report, we study the photoactivation process in Escherichia coli DNA photolyase,
involving long-range electron transport along a conserved chain of Trp residues between …

Engineering nanometre-scale coherence in soft matter

C Liu, L **ang, Y Zhang, P Zhang, DN Beratan, Y Li… - Nature Chemistry, 2016 - nature.com
Electronic delocalization in redox-active polymers may be disrupted by the heterogeneity of
the environment that surrounds each monomer. When the differences in monomer redox …