2025年3月12日出版的《美国化学会杂志》发表了科学家的一项最新研究成果。来自上海交通大学的肖泽宇课题组揭示了具有优异体内拉曼成像和光热性能的SICTERS小分子的分子工程。

在此，该课题组分子工程了一个全新的无底物SICTERS小分子，即BTT-TPA（双噻基取代苯并三唑硒二唑衍生物结构），具有超灵敏的拉曼信号和基于自堆叠的优异光热效应。力学研究证实，BTT保持了SICTERS所需的平面结构和多循环畸变振动。TPA增强了供体-受体相互作用，使BTT的拉曼灵敏度高于先前报道的SICTERS分子；同时作为分子转子，将光热转换效率提高到67.44%，优于大多数现有的SERS基光热材料。在无主位原位结肠癌肿瘤模型中，BTT-TPA NPs在拉曼成像引导下具有良好的光热清除原发和转移性肿瘤的效果，显著降低复发率。本研究提出了无底物SICTERS小分子在体内基于拉曼的治疗应用。

据了解，基于拉曼的治疗在敏感的实时成像和治疗方面显示出巨大的潜力。然而，这些先进的材料，主要依赖于SERS技术，遇到了关于底物生物安全性的临床问题。

附：英文原文

Title: Molecular Engineering of a SICTERS Small Molecule with Superior In Vivo Raman Imaging and Photothermal Performance

Author: Yongming Zhang, Wenxian Zhang, Yuanyuan Qiu, Kai Cui, Xinyi Li, Wei Hao, Aoxiang Luo, Zeyu Xiao

Issue&Volume: March 12, 2025

Abstract: Raman-based theranostics has demonstrated great potential for sensitive real-time imaging and treatment. However, these advanced materials, primarily depending on the SERS technique, encounter clinical concerns regarding substrate biosafety. Herein, we molecularly engineered a de novo substrate-free SICTERS small molecule, namely BTT–TPA (bis-thienyl-substituted benzotriazole selenadiazole derivative structures), possessing both ultrasensitive Raman signals and excellent photothermal effects based on self-stacking. The mechanistic studies confirm that BTT maintains the planar structure with polycyclic distorted vibrations required for SICTERS. TPA enhances the donor–acceptor interaction, yielding a Raman sensitivity of BTT higher than previously reported SICTERS molecules; it also acts as a molecular rotor, increasing the photothermal conversion efficiency to 67.44%, which is superior to most of the existing SERS-based photothermal materials. In the tumor model of mouse orthotopic colon cancer, BTT–TPA NPs demonstrate a great Raman imaging-guided photothermal therapy effect in eliminating primary and metastatic tumors, remarkably decreasing the recurrence rate. This work puts forward substrate-free SICTERS small molecules toward Raman-based theranostic applications in vivo.

DOI: 10.1021/jacs.4c16411

Source: https://pubs.acs.org/doi/abs/10.1021/jacs.4c16411