2D COSY 11B NMR spectroscopy in the interpretation of the structures of iso and trans isomers of the macropolyhedral boron cluster [B20H18]2–

Авдеева, В. В.; Привалов, В. И.; Кубасов, А. С.; Korolenko, Svetlana E.; Малинина, Е. А.; Кузнецов, Н. Т.

doi:10.1016/j.ica.2023.121564

Cited by 6 publications

(2 citation statements)

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“…On the other hand, boron-containing traditional Chinese medicine has complex components, including traditional Chinese medicine herbs with lipid or halogen components. We speculate that it also may be the C 3 B←NR 3 , Hal 3 ←NR 3 , Hal 3 B←OR 2 , (Car-)Boranes, BHal 3 structure according to the reported information [7,14,39,42,43], considering the obvious signals that DingPeng Cream and Compound Borax Solution are in a liquid phase in nature. Both contain certain glycerol and carbonate; we prefer the structure of Hal 3 B←OR 2 , which remains to be verified by our further experiments.…”

Section: Discussionmentioning

confidence: 93%

“…Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool in drug discovery over the last two decades. Two-dimensional COSY 11 B NMR spectroscopy can be used to identify the isomerism of boron-containing cluster compounds [7]. Park et al found that isotropic 11 B NMR chemical shifts from the borosilicate minerals correlated with the local geometric parameters of the tetrahedrally coordinated B sites [8].…”

Section: Introductionmentioning

confidence: 99%

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11B NMR of the Morphological Evolution of Traditional Chinese Medicine Borax

Li,

Yang,

Wang

et al. 2024

Molecules

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This article applies nuclear magnetic resonance technology to the study of boron-containing traditional Chinese medicine, in order to explore the morphological evolution of boron elements in traditional Chinese medicine. Borax is a traditional Chinese medicine with anti-corrosion, anti-inflammatory, antibacterial, and anticonvulsant effects. It is made by boiling, removing stones, and drying borax minerals like borate salts. This article introduces an 11B nuclear magnetic resonance method for identifying and characterizing boron-containing compounds in TCM. We applied this technology to borax aqueous solutions in different chemical environments and found that with boron mixed in the form of SP2 hybridization in equilateral triangles and SP3 hybridization in equilateral tetrahedra, the pH changes in alkaline environments significantly affected the ratio of the two. At the same time, it was found that in addition to the raw material peak, boron signals of other boron-containing compounds were also detected in 20 commercially available boron-containing TCM preparations. These new boron-containing compounds may be true pharmaceutical active ingredients, and adding them directly to the formula can improve quality and safety. This article describes the detection of 11B NMR in boron-containing traditional Chinese medicine preparations. It is simple, non-destructive, and can provide chemical fingerprint studies for boron-containing traditional Chinese medicine.

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Section: Discussionmentioning

confidence: 93%