Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation.
Medicinal Plant Using Ground State Stabilization of Natural Antioxidant Curcumin by Keto-Enol Tautomerisation.
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DOI：
10.1007/s13659-018-0170-1
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发表时间：
2018-10
影响因子：
4.7
通讯作者：
Lourdu EdisonRaj C
中科院分区：
文献类型：
--
作者：
Manimaran S;SambathKumar K;Gayathri R;Raja K;Rajkamal N;Venkatachalapathy M;Ravichandran G;Lourdu EdisonRaj C
姜黄素是一种具有抗癌特性的药剂，姜黄中的生物活性色素具有巨大的治疗价值。它有一个酮-烯醇部分，这导致了它的许多化学性质。最近的一项研究表明，在这个部分的酮-烯醇互变异构涉及姜黄素的作用。姜黄素在甲醇、丙酮和乙腈中的互变异构化用于核磁共振（1H，13 C）光谱。采用紫外、红外和拉曼光谱值对其进行了表征。姜黄素分子的静电势表面在CH ~（3+）基团区域呈现正电性，在两个氧原子区域呈现负电性，具有很强的结合基团。在下文中，结构和热动力学参数、亲电性（ω）、化学势（μ）、化学硬度（η）和电子电荷转移的模态证实了局部反应性。姜黄素的互变异构化的速率常数显示出强烈的温度依赖性。分子静电势与温度的各种热力学性质的依赖性就像是随着温度的升高而增大，对于单体和二聚体的各种电场。
Curcumin is a medicinal agent that exhibits anti-cancer properties and bioactive pigment in Turmeric has a huge therapeutic value. It has a keto-enol moiety that gives rise to many of its chemical properties. A recent study has shown that keto-enol tautomerisation at this moiety is implicated the effect of curcumin. The tautomerisation of curcumin in methanol, acetone and acetonitrile are used in nuclear magnetic resonance (1H, 13C) spectroscopy. It was characterized using UV, IR and Raman spectral values. The molecular electrostatic potential surface of the Curcumin has been visualized in electropositive potential in the region of the CH3+ group and most electronegative potential in the two oxygen atom has very strong binding group. In the following, the modality of structural and thermo dynamical parameters, electrophilicity (ω), chemical potential (μ), chemical hardness (η) and electronic charge transfer confirms the local reactivity. The rate constant of tautomerisation of curcumin shows strong temperature dependence. Molecular electrostatic potential and Temperature dependence of various thermodynamic properties like is increase with increase in temperature for monomer and dimer of various electrical fields.