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Application of response surface methodology for exploring beta-cyclodextrin effects on the decoloration of spiropyran complexes

机译:响应面方法在探索β-环糊精对螺吡喃配合物脱色作用中的应用

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Response surface method is applied here to trace the photochromic path and explore the substituent and beta-cyclodextrin effects on the decoloration of the spiropyran/beta-cyclodextrin polymer (SP/CDP) complex. Calculations support the ultraviolet/visible experimental results, suggesting that introducing an electron-withdrawing group to the benzopyryl moiety of SPs favors an enhancement in their decoloration, whereas replacing the benzopyryl with a naphthopyryl moiety obstructs their decoloration. CDP complexation weakens the C-1-O bond of the closed SP form and enhances the polar zwitterionic structure in the open photomerocynine form. However, the electron-withdrawing group strengthens the interaction of benzopyryl SPs with CDP, thereby hindering their decoloration. (C) 2016 Elsevier B.V. All rights reserved.
机译:在此应用响应表面方法追踪光致变色路径,并探索取代基和β-环糊精对螺吡喃/β-环糊精聚合物(SP / CDP)复合物脱色的影响。计算支持紫外/可见光实验结果,表明将吸电子基团引入SP的苯并苄基有利于它们的脱色,而用萘并吡啶基取代苯并吡咯则阻碍了它们的脱色。 CDP络合作用削弱了封闭的SP形式的C-1-O键,并增强了开放的光美丝辛碱形式的两性离子极性结构。然而,吸电子基团增强了苯并吡咯SP与CDP的相互作用,从而阻碍了它们的脱色。 (C)2016 Elsevier B.V.保留所有权利。

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