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首页> 外文期刊>Journal of Molecular Liquids >Experimental and theoretical insight into spectroscopic properties and bioactivity of 4-(4-formylbenzylidene)-2-phenyloxazol-5(4H)-one dye for future applications in biochemistry
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Experimental and theoretical insight into spectroscopic properties and bioactivity of 4-(4-formylbenzylidene)-2-phenyloxazol-5(4H)-one dye for future applications in biochemistry

机译：对4-（4--甲基苄基）-2-苯并恶唑-5（4h） - 染料的光谱性能和生物活性的实验性和理论探讨 - 未来生物化学应用的未来应用

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The synthesized 4-(4-formylbenzylidene)-2-phenyloxazol-5(4H)-one was characterized by NMR and IR spectroscopy. The steady-state and time resolved measurements were applied to investigate its solvatochromism, determine dipole moments and elucidate its biological activity. Photophysical properties of the dye were studied in solvents of different polarities. Solute-solvent interactions were analyzed by means of multi-linear regression method using Catalan parameters whereas linear solvent correlation techniques like Lippert-Mataga, McRae and Bakhshiev polarity functions were used to evaluate the singlet excited state dipole moment. The achieved results indicate that the electronic absorption and fluorescence spectra of the oxazolone dye exhibit positive solvatochromism. Moreover, solvent polarizability is the major factor responsible for the observed red shift, thus the non-specific interactions mainly control the photophysical properties of the dye while the contribution of the specific interactions is weaker and mainly depend on solvent acidity. The rise in dipole moment of the dye occurs upon excitation due to the pi-electron density redistribution. The spectroscopic measurements were supported by computational calculations including geometry optimization, spectral and physicochemical properties. The studies were also extended to evaluate bioactivity of the dye. The interaction between oxazolone dye and Concanavalin A was investigated by the fluorescence anisotropy method. The ion transporter action, especially sodium-potassium pump function, and water transport in epithelial tissue were elucidated by the estimation of skin resistance. (C) 2020 Elsevier B.V. All rights reserved.
机译：通过NMR和IR光谱表征合成的4-（4-甲基苄基亚苄基）-2-苯并恶唑-5（4H）-ONE。应用稳态和时间分辨的测量来研究其溶剂质激素，确定偶极矩并阐明其生物活性。在不同极性的溶剂中研究了染料的光物理性质。通过使用加那甲烷参数的多线性回归方法分析溶质 - 溶剂相互作用，而Lippert-MATAGA，MCRAE和BAKHSHIEV极性函数的线性溶剂相关技术用于评估单线兴奋状态偶极矩。所达到的结果表明，恶唑酮染料的电子吸收和荧光光谱表现出阳性溶性溶解度。此外，溶剂极化性是负责观察到的红移的主要因素，因此非特异性相互作用主要控制染料的光学性质，而特定相互作用的贡献较弱，主要取决于溶剂酸度。由于PI-电子密度再分配，染料的偶极矩的升高发生。通过计算计算支持光谱测量，包括几何优化，光谱和物理化学性质。还扩展了研究以评估染料的生物活性。通过荧光各向异性法研究了恶唑酮染料和康丹韦A之间的相互作用。通过估计皮肤抗性，阐明了离子转运蛋白动作，尤其是钾泵功能和上皮组织中的水运输。 （c）2020 Elsevier B.v.保留所有权利。

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