Donepezil hydrochloride fingerprint spectral and formation mechanism analysis.

IF 1.3 4区 工程技术 Q3 INSTRUMENTS & INSTRUMENTATION Review of Scientific Instruments Pub Date : 2024-11-01 DOI:10.1063/5.0225011
Lei Wang, Wenxia Wang, Dongjie Wang, Jinwu Zhao, Liu Sun, Shuocheng She, Pandeng Hou, Yizhu Zhang, Qiuhong Qu, Mingxia He
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Abstract

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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盐酸多奈哌齐指纹光谱和形成机理分析。
盐酸多奈哌齐是一种广泛用于治疗阿尔茨海默病的药物。本研究利用太赫兹时域光谱分析了盐酸多奈哌齐的指纹光谱,确定了 1.65、2.44、2.56、3.31 和 3.75 太赫兹处的五个特征吸收峰。使用固态密度泛函理论进一步研究了盐酸多奈哌齐晶体的振动光谱。在模拟计算的基础上,对特征峰进行了识别和详细分析,重点研究了长程有序性和弱相互作用网络。结果表明,太赫兹光谱是研究药物晶体中分子间相互作用的有效工具。
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来源期刊
Review of Scientific Instruments
Review of Scientific Instruments 工程技术-物理:应用
CiteScore
3.00
自引率
12.50%
发文量
758
审稿时长
2.6 months
期刊介绍: Review of Scientific Instruments, is committed to the publication of advances in scientific instruments, apparatuses, and techniques. RSI seeks to meet the needs of engineers and scientists in physics, chemistry, and the life sciences.
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