Interpretable Artificial Intelligence Decodes the Chemical Structural Essence of Twisted Intramolecular Charge Transfer and Planar Intramolecular Charge Transfer Fluorophores.

ABSTRACT: D-π-A-type fluorescent materials are crucial tools in life sciences and medicine, with their development hinging on a precise understanding of fluorophore mechanisms, particularly twisted intramolecular charge transfer (TICT) and planar intramolecular charge transfer (PICT) processes. These fluorophores exhibit unique charge transfer properties, making them highly valuable in organic optoelectronics, fluorescent probes, and sensors. However, despite their growing applications, the structural essence of TICT and PICT fluorophores remains poorly understood. This often results in molecules with similar structures displaying charge transfer modes that contradict design expectations, substantially hindering the application of TICT and PICT fluorescent probes. In this study, we meticulously desi

SUBMITTER: Huang S 

PROVIDER: S-EPMC12686344 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature