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Vibrational tags in infrared (IR)-based micro-spectroscopy constitute powerful tools for studies on cellular metabolism. Whereas Raman tags have seen substantial developments, IR tags have not similarly benefitted from systematic design optimization. To improve the utility of IR-based vibrational tags, we modified a series of alkyne-based probes for use in the cell silent region of the IR spectrum. Using density functional theory (DFT) simulations for initial design motifs, the tags were analyzed using linear spectroscopy, and subsequently screened for their utility in cell and tissue imaging. The resulting chemical motifs form a palette of strong vibrational tags for IR-based biological imaging.
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Yong Li, Eric O. Potma, Jennifer Prescher, Katherine Townsend, Robert Dorn, "Vibrational tags for infrared-based bio-imaging," Proc. SPIE PC12855, Advanced Chemical Microscopy for Life Science and Translational Medicine 2024, PC128551E (13 March 2024); https://doi.org/10.1117/12.3022470