除藻剂新洁尔灭与鲱鱼精子DNA的相互作用
Interaction between the algaecide bromogeramine and herring sperm DNA
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摘要: 新洁尔灭是一种重要的化学除藻剂，为了探讨新洁尔灭的二次污染问题及其对水生生物可能存在的环境风险，本文在模拟生理条件下利用多种光谱技术和分子模拟技术研究了除藻剂新洁尔灭对鲱鱼精子DNA（hs-DNA）的作用机制，探讨了二者的结合特性和作用力类型，研究了新洁尔灭对hs-DNA空间结构的影响.结果表明，新洁尔灭对hs-DNA没有荧光猝灭作用，新洁尔灭对hs-DNA的空间结构也没有显著影响.通过光谱技术和分子模拟，验证了新洁尔灭与hs-DNA是以沟槽作用相结合且二者作用力类型主要为范德华力.该研究从分子光谱学角度验证了新洁尔灭的低毒性，阐明了新洁尔灭与hs-DNA的结合模式和作用力类型，为评价新洁尔灭的二次污染问题提供了参考.Abstract: Bromogeramine is an important chemical algaecide. In order to investigate the secondary pollution problem and potential environmental risk of bromogeramine, the ineraction mechanism of bromogeramine with herring sperm DNA (hs-DNA) was explored by a number of spectroscopic and molecular modeling methods under physiological conditions. We studied the interaction of bromogeramine with hs-DNA and the binding forces between the two. We also explored the effects of bromogeramine on the hs-DNA conformation. The results indicated that bromogeramine did not quench hs-DNA fluorescence, and it had little effects on the hs-DNA conformation. Based on the results of spectroscopic and molecular docking methods, it was concluded that bromogeramine bound with hs-DNA through groove model mainly by Van der Waals forces. The results suggest low toxicity of bromogeramine, and revealed the binding mode and forces between bromogeramine and hs-DNA. The study could provide an important reference for evaluating the secondary pollution of bromogeramine.
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Key words:
- bromogeramine /
- herring sperm DNA /
- multi-spectroscopic techniques /
- docking studies
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