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Recent developments have shown the utility of vibrational tags in both Raman-based microscopy and infrared-based microspectroscopy. In this context, the availability of probes that feature a strong response is highly desirable. Here we develop vibrational tags that have strong and narrow vibrational lines in the cell silent region of the spectrum. We screened numerous chemical motifs with density functional theory (DFT). Design criteria included a distinct resonance frequency, a long vibrational lifetime, and overall strength of the vibrational response. We discuss the utility of these optimized probes for cellular imaging studies with stimulated Raman scattering and Fourier transform infrared microspectroscopy.
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Yong Li, Katherine Townsend, Robert Dorn, Jennifer Prescher, Eric O. Potma, "Vibrational tags for Raman and infrared-based imaging (Conference Presentation)," Proc. SPIE PC12392, Advanced Chemical Microscopy for Life Science and Translational Medicine 2023, PC1239209 (15 March 2023); https://doi.org/10.1117/12.2654603