单链聚核苷酸酸 [poly (rA)] 中的自结构诱导是一种有前途的生理现象，它关闭了肿瘤细胞中的蛋白质产生。本研究通过使用各种稳态和时间分辨技术，对poly (rA)上的自结构诱导过程进行了彻底的研究。光学熔化模式直接证实了单链poly (rA)通过与喹诺酮的复合形成自结构组装体。此外，紫外吸收光谱研究揭示，喹诺酮以协同方式结合到poly (rA)上，并且通过约两个碱基对poly (rA)参与复合，首次证明了穿插结合的方式。实验观察结果证实了喹诺酮分子在自结构双螺旋poly (rA)中发生非传统的穿插结合。该复合反应伴随着负焓变化和正熵变化，表明强的范德华力和氢键相互作用是复合的主要驱动力。此外，离子强度依赖性结合研究证实非聚电解质力是主导力。此外，使用时间依赖密度泛函理论 (TDDFT) 对QN的光物理行为进行了验证，其中利用了基态和激发态。版权所有 © 2023. 由Elsevier B.V.出版。

Self-structure induction in a single stranded polyriboadenylic acid [poly (rA)] is an auspicious physiological phenomenon which switches off protein production in tumor cells. In the present study, the self-structure induction process in poly (rA) moiety was thoroughly investigated using various steady state and time resolved techniques. Optical melting pattern directly evidenced the formation of self-structured assembly in single stranded poly (rA) upon complexation with quinacrine. Further, UV-absorption spectroscopic studies revealed that quinacrine binds to poly (rA) in co-operative fashion and the indication of intercalative mode of binding first came out with the involvement of around two base pairs of poly (rA) in the complexation. Experimental observations established the unconventional or non-classical intercalation of quinacrine molecule inside self-structured duplex poly (rA) moiety. This complexation was accompanied with negative enthalpy change and positive entropy change; suggesting strong van der Waals and the H-bonding interactions as the major governing forces in the complexation. Moreover, ionic strength dependent binding study established that the non-polyelectrolytic forces were the dominating forces. Moreover, photo physical behavior of QN was authenticated using time dependent density functional theory (TDDFT) where both the ground and excited states were exploited.Copyright © 2023. Published by Elsevier B.V.