Abstract
Abstract Near-infrared light activation enhances phototherapeutic efficacy due to deep-tissue penetration and minimal invasion. While near-infrared-phototherapeutic agents are widely studied, conventional designs often increase molecular size, affecting pharmacokinetics. This study elucidates the photo-excited states of sulfone-containing aromatic compounds as efficient near-infrared-activated photothermal agents for cancer therapy. We synthesized sulfone-rosamine compounds (3 and 4) exhibiting strong optical absorption around 700 nm, attributed to a unique orbital in the LUMO. Compound 4, 35% smaller than conventional near-infrared-dye molecules, such as Cy5.5 (0.86 nm3/molecule), enhances intracellular mobility. Upon photoexcitation, 4 undergoes rapid non-radiative relaxation, resulting in remarkable photothermal effects and photostability. Transient absorption spectroscopy and density functional theory calculations revealed a mechanism involving rapid non-radiative deactivation after illumination, efficiently converting light to heat. The near-infrared-induced photothermal effect effectively killed various cancer cell lines, including HeLa, MDA-MB-231, and PCI-55. This study provides guidelines for designing novel photodrugs with improved intracellular mobility, near-infrared light responsiveness, and photostability, and introduces the advancement of cancer treatment.
Published Version
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