Molecular structure analysis of xanthine alkaloids using terahertz spectroscopy

Wang, Ningyi; Huang, Xinghao; Zhang, Jiamin; Wu, Xu; Peng, Yan; Zhu, Yiming

doi:10.1016/j.jms.2024.111936

Journal of Molecular Spectroscopy

2024

DOI: 10.1016/j.jms.2024.111936

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Molecular structure analysis of xanthine alkaloids using terahertz spectroscopy

Ningyi Wang,

Xinghao Huang,

Jiamin Zhang

et al.

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2024

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Cited by 1 publication

References 28 publications

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Donepezil hydrochloride fingerprint spectral and formation mechanism analysis

Wang,

Wang

et al. 2024

Review of Scientific Instruments

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Donepezil hydrochloride is a widely used medication for treating Alzheimer’s disease. This study utilized terahertz time-domain spectroscopy to analyze the fingerprint spectra of donepezil hydrochloride, identifying five characteristic absorption peaks at 1.65, 2.44, 2.56, 3.31, and 3.75 THz. The vibrational spectrum of the donepezil hydrochloride crystal was further examined using solid-state density functional theory. Based on simulation calculations, the characteristic peaks were identified and analyzed in detail, focusing on long-range ordering and weak interaction networks. The results demonstrate that terahertz spectroscopy is an effective tool for studying intermolecular interactions in drug crystals.

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Donepezil hydrochloride fingerprint spectral and formation mechanism analysis

Wang,

Wang

et al. 2024

Review of Scientific Instruments

View full text Add to dashboard Cite

show abstract

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Molecular structure analysis of xanthine alkaloids using terahertz spectroscopy

Cited by 1 publication

References 28 publications

Donepezil hydrochloride fingerprint spectral and formation mechanism analysis

Donepezil hydrochloride fingerprint spectral and formation mechanism analysis

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