Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria)
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- 作者：Teobald Kupka ; teobaldk@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Piotr P. Wieczorek ; Piotr.Wieczorek@uni.opole.pl" class="auth_mail" title="E-mail the corresponding author
- 关键词：Muscimol ; NMR spectroscopy ; DFT ; GIAO NMR
- 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- 出版年：2016
- 出版时间：15 January 2016
- 年：2016
- 卷：153
- 期：Complete
- 页码：216-225
- 全文大小：487 K
文摘
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NMR and ab initio/DFT studies on muscimol are proposed.
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The use of high level theoretical modeling could aid interpretation of muscimol structure.
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The observed NMR data of muscimol in DMSO are assigned.
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The nonionized and NH-forms of muscimol (1:1) in DMSO are proposed.
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