Thermodynamic study of anhydrous and hydrated quercetin

IF 1.7 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Chemical Sciences Pub Date : 2024-12-28 DOI:10.1007/s12039-024-02328-9

D Gheorghe, A Neacsu, A Sofronia, C Marinescu, S Perisanu

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引用次数: 0

Abstract

Solid-state anhydrous (QA) and hydrated quercetins (QH) were studied by using combustion calorimetry and thermal analysis-simultaneous thermogravimetry (TG) coupled with differential scanning calorimetry (DSC) methods. The enthalpies of formation were derived employing the experimental heat of combustion for the studied compounds. The obtained data are compared with estimated values using group additivity and quantum calculations. The correlation between experimental and calculated values is discussed considering the number and strength of intermolecular hydrogen bonds. From DSC experiments, the temperature ranges of dehydration followed by melting-decomposition were established.

Graphical abstract

The present study consists in bringing contributions to the completion of thermochemical data banks regarding the important role played by quercetin in the living organisms. The values of the thermodynamic quantities, which characterize the biochemical reactions, are put in correspondence with the biological activity of quercetin.

Synopsis The present study consists in bringing contributions to the completion of thermochemical data banks regarding the important role played by quercetin in the living organisms. The values of the thermodynamic quantities, which characterize the biochemical reactions, are put in correspondence with the biological activity of quercetin.

Abstract Image

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无水和水合槲皮素的热力学研究

采用燃烧量热法和热分析-热重-差示扫描量热法对固体无水槲皮素（QA）和水合槲皮素（QH）进行了研究。用实验燃烧热计算了所研究化合物的生成焓。利用群可加性和量子计算将所得数据与估计值进行了比较。考虑分子间氢键的数目和强度，讨论了实验值与计算值之间的相关性。通过DSC实验，确定了脱水-熔融-分解的温度范围。图解摘要本研究旨在对槲皮素在生物体内所起的重要作用的热化学数据库的完善作出贡献。槲皮素的生物活性与表征生物化学反应的热力学物理量的值一致。本研究旨在为槲皮素在生物体内所起的重要作用的热化学数据库的完善做出贡献。槲皮素的生物活性与表征生物化学反应的热力学物理量的值一致。

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来源期刊

Journal of Chemical Sciences CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

3.10

自引率

5.90%

发文量

107

审稿时长

1 months

期刊介绍： Journal of Chemical Sciences is a monthly journal published by the Indian Academy of Sciences. It formed part of the original Proceedings of the Indian Academy of Sciences – Part A, started by the Nobel Laureate Prof C V Raman in 1934, that was split in 1978 into three separate journals. It was renamed as Journal of Chemical Sciences in 2004. The journal publishes original research articles and rapid communications, covering all areas of chemical sciences. A significant feature of the journal is its special issues, brought out from time to time, devoted to conference symposia/proceedings in frontier areas of the subject, held not only in India but also in other countries.