Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland; Jagiellonian Centre for Experimental Therapeutics (JCET), Jagiellonian University, Bobrzynskiego 14, 30-348 Krakow, Poland.
Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland; Jagiellonian Centre for Experimental Therapeutics (JCET), Jagiellonian University, Bobrzynskiego 14, 30-348 Krakow, Poland.
Spectrochim Acta A Mol Biomol Spectrosc. 2014 Aug 14;129:624-31. doi: 10.1016/j.saa.2014.03.104. Epub 2014 Apr 8.
The substituent effect on structure and surface activity of biologically active nicorandil was investigated by means of surface-enhanced Raman spectroscopy (SERS). Vibrational characterization was a basis for investigation of the adsorption profile of nicorandil and 1-methylnicorandil on silver nanoparticles. An assignment of SERS bands was performed by the comparison of the Raman spectra of both compounds in the solid state and in solutions, complemented by DFT calculations. Even though the nitro group was found to be the most attractive to the silver surface, the strong impact of the methyl substituent changed this preferable adsorption mechanism in 1-methylnicorandil. Protonation of the nitrogen atom in the pyridinium ring was also found to have an impact on absorption mechanism.
采用表面增强拉曼光谱（SERS）研究了具有生物活性的尼可地尔的取代基效应对其结构和表面活性的影响。振动特性分析是研究尼可地尔和 1-甲基尼可地尔在银纳米粒子上吸附形态的基础。通过比较这两种化合物在固态和溶液中的拉曼光谱，并辅以密度泛函理论（DFT）计算，对 SERS 谱带进行了归属。尽管硝基被发现是最吸引银表面的基团，但甲基取代基的强烈影响改变了 1-甲基尼可地尔中这种优选的吸附机制。还发现吡啶环上氮原子的质子化对吸收机制也有影响。
