Year: 2026
Type: article
Abstract: Vibrational-encoded fluorescence spectro-microscopies are emerging as powerful tools for studying molecular vibrations with the unparalleled sensitivity of fluorescence spectroscopy. We recently described one such technique, termed bond-selective fluorescence-detected infrared-excited (BonFIRE) spectro-microscopy. Currently, prospects of BonFIRE toward rational molecular design are limited, but they have the potential to be assisted by computational tools. In this perspective, we provide a brief overview of the theory of BonFIRE spectroscopy. We then describe a fully automated computational pipeline for calculating BonFIRE spectra, reproducing key features of experimental results. Finally, we highlight a few potential applications of computational methods for vibrational-encoded fluorescence spectro-microscopies and their broader implications for chemistry and biology.
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0323289
Institution: California Institute of Technology
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funders: National Science Foundation, Alfred P. Sloan Foundation, Arnold and Mabel Beckman Foundation, Hertz Foundation, California Institute of Technology, Resnick Sustainability Institute for Science, Energy and Sustainability, California Institute of Technology, Heritage Medical Research Institute, National Institutes of Health, NIH Office of the Director, Division of Chemistry, National Science Foundation Graduate Research Fellowship Program
Awards: G2037459587, G500318789, G5025997085, G5986892838, G5997576940, G6671297155, Graduate Research Fellowship Program (GRFP), CAREER: Imaging the Chemical Nature of Intracellular Phase Separation by Functional Stimulated Raman Scattering Spectro-microscopy, Super-resolution Chemical Imaging for Biomedicine
OpenAlex ID: W7148633114