Molecular nature of breakdown of the folic acid under hydrothermal treatment: a combined experimental and DFT study.

Molecular nature of breakdown of the folic acid under hydrothermal treatment: a combined experimental and DFT study.
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DOI:
10.1038/s41598-020-76311-y
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发表时间:
2020-11-12
期刊:
影响因子:
4.6
通讯作者:
Sapelkin AV
Sapelkin AV
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Abramova AM;Kokorina AA;Sindeeva OA;Jolibois F;Puech P;Sukhorukov GB;Goryacheva IY;Sapelkin AV

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结合实验拉曼、FTIR、UV-VIS 吸收和发射数据以及相应的 DFT 计算,我们提出了叶酸在 200 °C 水热处理下的改性机制。我们确定叶酸分解成碎片,而蝶啶部分保持完整,很可能演变成 6-甲酰蝶呤,后者导致 450 nm 处荧光发射的增加。结果表明,水热方法可用于生产其他专门设计的荧光团。
Using a combination of experimental Raman, FTIR, UV–VIS absorption and emission data, together with the corresponding DFT calculations we propose the mechanism of modification of the folic acid specifically under the hydrothermal treatment at 200 °C. We established that folic acid breaks down into fragments while the pteridine moiety remains intact likely evolving into 6-formylpterin with the latter responsible for the increase in fluorescence emission at 450 nm. The results suggest that hydrothermal approach can be used for production of other purpose-engineered fluorophores.
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