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Thermally activated charge transport in microbial protein nanowires.

ABSTRACT: The bacterium Geobacter sulfurreducens requires the expression of conductive protein filaments or pili to respire extracellular electron acceptors such as iron oxides and uranium and to wire electroactive biofilms, but the contribution of the protein fiber to charge transport has remained elusive. Here we demonstrate efficient long-range charge transport along individual pili purified free of metal and redox organic cofactors at rates high enough to satisfy the respiratory rates of the cell. Carrier characteristics were within the orders reported for organic semiconductors (mobility) and inorganic nanowires (concentration), and resistivity was within the lower ranges reported for moderately doped silicon nanowires. However, the pilus conductance and the carrier mobility decreased when one of the tyrosines of the predicted axial multistep hopping path was replaced with an alanine. Furthermore, low temperature scanning tunneling microscopy demonstrated the thermal dependence of the differential conductance at the low voltages that operate in biological systems. The results thus provide evidence for thermally activated multistep hopping as the mechanism that allows Geobacter pili to function as protein nanowires between the cell and extracellular electron acceptors.

SUBMITTER: Lampa-Pastirk S

PROVIDER: S-EPMC4806346 | biostudies-literature | 2016 Mar

REPOSITORIES: biostudies-literature

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Thermally activated charge transport in microbial protein nanowires.

Lampa-Pastirk Sanela S Veazey Joshua P JP Walsh Kathleen A KA Feliciano Gustavo T GT Steidl Rebecca J RJ Tessmer Stuart H SH Reguera Gemma G

Scientific reports 20160324

The bacterium Geobacter sulfurreducens requires the expression of conductive protein filaments or pili to respire extracellular electron acceptors such as iron oxides and uranium and to wire electroactive biofilms, but the contribution of the protein fiber to charge transport has remained elusive. Here we demonstrate efficient long-range charge transport along individual pili purified free of metal and redox organic cofactors at rates high enough to satisfy the respiratory rates of the cell. Car ...[more]

PMID: 27009596

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Project description:Thermally activated delayed florescence (TADF) is a mechanism that increases the electroluminescence efficiency in organic light-emitting diodes by harnessing both singlet and triplet excitons. TADF is facilitated by a small energy difference between the first singlet (S1) and triplet (T1) excited states (? E(ST)), which is minimized by spatial separation of the donor and acceptor moieties. The resultant charge-transfer (CT) excited states are difficult to model using time-dependent density functional theory (TDDFT) because of the delocalization error present in standard density functional approximations to the exchange-correlation energy. In this work we explore the application of the particle-particle random phase approximation (pp-RPA) for the determination of both S1 and T1 excitation energies. We demonstrate that the accuracy of the pp-RPA is functional dependent and that, when combined with the hybrid functional B3LYP, the pp-RPA computed ? E(ST) have a mean absolute deviation (MAD) of 0.12 eV for the set of examined molecules. A key advantage of the pp-RPA approach is that the S1 and T1 states are characterized as CT states for all of experimentally reported TADF molecules examined here, which allows for an estimate of the singlet-triplet CT excited state energy gap (? E(ST) = 1CT - 3CT). For experimentally known TADF molecules with a small (<0.2 eV) ? E(ST) in this data set, a high accuracy is demonstrated for the prediction of both the S1 (MAD = 0.18 eV) and T1 (MAD = 0.20 eV) excitation energies as well as ? E(ST) (MAD = 0.05 eV). This result is attributed to the consideration of correct antisymmetry in the particle-particle interaction leading to the use of full exchange kernel in addition to the Coulomb contribution, as well as a consistent treatment of both singlet and triplet excited states. The computational efficiency of this approach is similar to that of TDDFT, and the cost can be reduced significantly by using the active-space approach.

Dataset Information

Thermally activated charge transport in microbial protein nanowires.

Publications

Thermally activated charge transport in microbial protein nanowires.

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