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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Excimer of 9-aminoacridine hydrochloride hydrate in confined medium: An integrated experimental and theoretical study
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Excimer of 9-aminoacridine hydrochloride hydrate in confined medium: An integrated experimental and theoretical study

机译：受限介质中9-氨基ac啶盐酸盐水合物的准分子：综合实验和理论研究

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摘要

We aim to find out the extent of stability of the excimer of 9-aminoacridine hydrochloride hydrate (9AA), a prospective PDT drug, in different confined media with varying cavity size. When confined in cetyltrimethyl ammonium bromide micelles, although at low concentration of 9AA, only a single distinct peak (λ_(max) at 460 nm) with a shoulder at 485 nm is observed in steady-state fluorescence spectrum, yet with increase in concentration the peak and the shoulder merge with simultaneous emergence of another peak at 535 nm, which is assigned to excimer. Similar behavior is also observed in Triton-X, crown ether, α-cyclodextrin, β-cyclodextrin, and homogeneous aqueous medium. The formation of excimer, which reflects the extent of confinement of 9AA, is maximum in β-cyclodextrin followed by others. Steady-state and time-resolved fluorescence studies along with TRES and TRANES analyses coupled with anisotropy data and transient absorption studies reveal the presence of monomer-dimer equilibrium of 9AA in the excited state. Molecular modeling indicates that the structure of excimer is stabilized by locking of the two monomeric species via four hydrogen bonds formed between the amino-H and imino-N of 9AA monomers, whereas the dimer in the ground state has only two such hydrogen bonds.
机译：我们的目的是寻找潜在的PDT药物9-氨基ac啶盐酸盐水合物（9AA）的准分子在具有不同腔尺寸的不同密闭介质中的稳定性程度。当被限制在十六烷基三甲基溴化铵胶束中时，尽管在9AA的低浓度下，在稳态荧光光谱中仅观察到一个在485 nm处有一个肩峰的明显峰（在460 nm处的λ_（max）），但是随着浓度的增加，峰和肩峰合并，同时在535 nm处出现另一个峰，该峰被指定为准分子。在Triton-X，冠醚，α-环糊精，β-环糊精和均质水性介质中也观察到类似的行为。准分子的形成反映了9AA的封闭程度，在β-环糊精中最大，其次是其他的。稳态和时间分辨荧光研究，以及TRES和TRANES分析以及各向异性数据和瞬态吸收研究表明，在激发态下存在9AA单体-二聚体平衡。分子建模表明，通过9AA单体的氨基-H和亚氨基-N之间形成的四个氢键锁定两个单体物种，可以稳定准分子的结构，而处于基态的二聚体只有两个这样的氢键。

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