Multiphoton Absorption Spectra of Channelrhodopsin‑2 via Multiscale Simulation Methods
David Carrasco-Busturia, Mathieu Linares, Patrick Norman, Jógvan Magnus Haugaard Olsen
TL;DR
This paper introduces a detailed computational method to study the light absorption properties of a key optogenetics protein, Channelrhodopsin-2, using advanced simulation techniques.
Contribution
The paper presents a novel multiscale simulation methodology to compute one-, two-, and three-photon absorption spectra of ChR2.
Findings
The multiscale method accurately computes one-photon absorption spectra matching experimental data.
Theoretical two- and three-photon absorption spectra of ChR2 are reported for the first time.
Spectral differences arise from structural variations captured by classical and quantum simulations.
Abstract
Channelrhodopsin-2 (ChR2) is a light-gated ion channel widely used in optogenetics, a technique that enables precise control of neuronal activity by genetically engineering light-sensitive proteins into cell membranes. This protein exists in dimeric form, with each monomer containing a retinal Schiff base (RSB) moiety covalently bonded that undergoes trans–cis isomerization upon light absorption. However, the limited penetration depth of visible light in biological tissues motivates the use of multiphoton-absorption techniques, which enhance tissue penetration, improve focality, and reduce phototoxicity, thereby offering a promising alternative for optogenetic applications. In this paper, we present a fully atomistic multiscale methodology for computing the one-, two-, and three-photon absorption spectra of ChR2, where the protein, lipid bilayer, and solvent are explicitly considered…
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Taxonomy
TopicsPhotoreceptor and optogenetics research · Nonlinear Optical Materials Studies · Advanced Fluorescence Microscopy Techniques