Solid-State NMR Analyses Reveal the Structure Dependence of the Molecular Dynamics for omega-Amino Acids

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	Solid-State NMR Analyses Reveal the Structure Dependence of the Molecular Dynamics for omega-Amino Acids
	Huang, Jing 1,2; Zhang, Limin 1; Tang, Huiru 1
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2012-02-23
卷号	116 期号:7 页码:2096-2103
英文摘要	The molecular dynamics of metabolites is structure dependent and vitally important for the interactive functions in their potential applications as natural materials. To understand the relationship between molecular structure and dynamics, the molecular motions of four structurally related omega-amino acids (beta-alanine, gamma-aminobutyric acid, 5-aminovaleric acid, and 6-aminocaproic acid) were investigated by measuring their proton spin-lattice relaxation times (T-1, T-1 rho) as a function of temperature (180-440 K). C-13 CPMAS NMR and DSC analyses were performed to obtain complementary information. All of these omega-amino acids showed no phase transition in the temperature range studied but had outstandingly long proton T-1 at 300 MHz and even at 20 MHz for the deuterated forms. The molecular dynamics of all these omega-amino acids were dominated by the reorientation motions of amino groups and backbone motions except in beta-alanine. The activation energies for amino group reorientations were positively correlated with the strength of hydrogen bonds involving these groups in the crystals and the carbon-chain lengths, whereas such energies for the backbone motions were inversely correlated with the carbon-chain lengths. These findings provided essential information for the molecular dynamics of omega-amino acids and demonstrated the combined solid-state NMR methods as a useful approach for understanding the structural dependence of molecular dynamics.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Physical
研究领域[WOS]	Chemistry
关键词[WOS]	DIFFRACTION STRUCTURE DETERMINATION ; BETA-ALANINE SUPPLEMENTATION ; PROTON MAGNETIC-RELAXATION ; X-RAY-DIFFRACTION ; C-13 MAS NMR ; CRYSTAL-STRUCTURE ; RESONANCE TRANSIENTS ; DOMAIN-STRUCTURE ; ALPHA-GLYCINE ; L-LEUCINAMIDE
收录类别	SCI
语种	英语
WOS记录号	WOS:000301156300009
公开日期	2015-07-14
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/1703]
专题	武汉物理与数学研究所_磁共振应用研究部
作者单位	1.Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Huang, Jing,Zhang, Limin,Tang, Huiru. Solid-State NMR Analyses Reveal the Structure Dependence of the Molecular Dynamics for omega-Amino Acids[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2012,116(7):2096-2103.
APA	Huang, Jing,Zhang, Limin,&Tang, Huiru.(2012).Solid-State NMR Analyses Reveal the Structure Dependence of the Molecular Dynamics for omega-Amino Acids.JOURNAL OF PHYSICAL CHEMISTRY B,116(7),2096-2103.
MLA	Huang, Jing,et al."Solid-State NMR Analyses Reveal the Structure Dependence of the Molecular Dynamics for omega-Amino Acids".JOURNAL OF PHYSICAL CHEMISTRY B 116.7(2012):2096-2103.