Computational study of terahertz-driven controllable molecular isomerization.

ABSTRACT: Molecular isomerization supports a variety of biological processes, and conformational regulation is a promising approach to achieve the desired physiological functions or inhibit adverse biological activities. Although extremely challenging, a controllable isomerism-modulated approach with features such as being molecule specific, non-invasive, and reversible is highly desirable for complex biosystems. Herein, based on the evidence from the molecular dynamic simulations of the controlled rotation around the σ bonds in retinal moiety and its generalizability to other systems, we present a strategy to achieve frequency-specific terahertz (THz) light-driven, controllable and reversible molecular isomerization. This strategy is attributed to the resonant energy transfer precisely from the THz

SUBMITTER: Zhu Z 

PROVIDER: S-EPMC12316997 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature