Modelling light-driven proton pumps in artificial photosynthetic reaction centers

TL;DR

This paper models a light-driven proton pump in artificial reaction centers, analyzing how light intensity, membrane potential, and temperature affect proton translocation efficiency and quantum yield, aligning with experimental observations.

Contribution

It introduces a quantum transport model of an artificial proton pump, detailing the roles of molecular states and shuttle dynamics in energy transduction.

Findings

Proton translocation quantum yield of about 55%.

Optimal light intensity and membrane potential ranges identified.

Temperature effects on proton pumping efficiency analyzed.

Abstract

We study a model of a light-induced proton pump in artificial reaction centers. The model contains a molecular triad with four electron states (i.e., one donor state, two photosensitive group states, and one acceptor state) as well as a molecular shuttle having one electron and one proton-binding sites. The shuttle diffuses between the sides of the membrane and translocates protons energetically uphill: from the negative side to the positive side of the membrane, harnessing for this purpose the energy of the electron-charge-separation produced by light. Using methods of quantum transport theory we calculate the range of light intensity and transmembrane potentials that maximize both the light-induced proton current and the energy transduction efficiency. We also study the effect of temperature on proton pumping. The light-induced proton pump in our model gives a quantum yield of proton translocation of about 55 %. Thus, our results explain previous experiments on these artificial photosynthetic reaction centers.