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.
Surface-enhanced analogues of coherent Raman scattering (CRS) methods are promising candidates to probe molecular vibrations at much faster rates than what can be achieved with surface-enhanced Raman scattering (SERS). Thus far, experimental challenges have prevented surface-enhanced versions of CRS from growing into a practical tool. One of the major hurdles is the fragility of metallic antenna systems that support surface plasmons when illuminated with ultrafast pulses, causing photo-induced damage to the enhancement structures and lowering the repeatability of surface-enhanced nonlinear Raman measurements. In this contribution we discuss several implementations of surface-enhanced coherent anti-Stokes Raman scattering (SE-CARS) that avoid the use of metallic structures and use dielectric antenna systems instead.
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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