Understanding the Molecular Dynamics Associated with Polymorphic Transitions of DL-Norvaline with Solid-State NMR Methods

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 2011年以前论文发表（包括2011年）

	Understanding the Molecular Dynamics Associated with Polymorphic Transitions of DL-Norvaline with Solid-State NMR Methods
	Ren, Pingping 1,2; Reichert, Detlef 3; He, Qinghua 1; Zhang, Limin 1; Tang, Huiru 1
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2011-03-31
卷号	115 期号:12 页码:2814-2823
通讯作者	唐惠儒
产权排序	第一
英文摘要	DL-Norvaline (NVA) is an important pharmaceutical intermediate and undergoes two polymorphic transitions between 140 and 300 K. To understand molecular dynamics of NVA accompanied with these transitions, we conducted a comprehensive study on its molecular motions at multiple time scales (10(-9)-1 s) with various solid-state NMR methods. (13)C CPMAS NMR spectra revealed four sets of clearly resolved signals for NVA, carbons corresponding to at least three crystal modifications with two polymorphic transitions. Proton and (13)C relaxation results showed that, apart from the reorientations of methyl and amino groups, NVA had another relaxation process following the second transition with the activation energy of 16-21 kJ/mol corresponding to the side-chain motions. This was further confirmed with the data from dipolar and chemical shift experiments. No motions were detected at CODEX time scale (ms-s). These results provide essential information for understanding the mechanistic aspects of the polymorphic transitions in aliphatic alpha-amino acids with linear side-chains.
学科主题	波谱分析
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Physical
研究领域[WOS]	Chemistry
关键词[WOS]	POLYCRYSTALLINE AMINO-ACIDS ; PROTON MAGNETIC-RELAXATION ; ALPHA-L-RHAMNOPYRANOSIDE ; C-13 MAS NMR ; PHASE-TRANSITIONS ; DOMAIN-STRUCTURE ; SLOW DYNAMICS ; L-LEUCINAMIDE ; SPECTROSCOPY ; MOTION
收录类别	SCI
语种	英语
WOS记录号	WOS:000288644700015
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/1803]
专题	武汉物理与数学研究所_2011年以前论文发表（包括2011年）
作者单位	1.Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China 3.Univ Halle Wittenberg, Dept Phys, D-06108 Halle, Germany
推荐引用方式 GB/T 7714	Ren, Pingping,Reichert, Detlef,He, Qinghua,et al. Understanding the Molecular Dynamics Associated with Polymorphic Transitions of DL-Norvaline with Solid-State NMR Methods[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2011,115(12):2814-2823.
APA	Ren, Pingping,Reichert, Detlef,He, Qinghua,Zhang, Limin,&Tang, Huiru.(2011).Understanding the Molecular Dynamics Associated with Polymorphic Transitions of DL-Norvaline with Solid-State NMR Methods.JOURNAL OF PHYSICAL CHEMISTRY B,115(12),2814-2823.
MLA	Ren, Pingping,et al."Understanding the Molecular Dynamics Associated with Polymorphic Transitions of DL-Norvaline with Solid-State NMR Methods".JOURNAL OF PHYSICAL CHEMISTRY B 115.12(2011):2814-2823.