An optimized buffer system for NMR-based urinary metabonomics with effective pH control, chemical shift consistency and dilution minimization
文献类型：期刊论文
| 作者 | Xiao, Chaoni1,2; Hao, Fuhua1 ; Qin, Xiaorong3; Wang, Yulan1; Tang, Huiru1
|
| 刊名 | ANALYST
 |
| 出版日期 | 2009 |
| 卷号 | 134期号:5页码:916-925 |
| 通讯作者 | Wang, YL (reprint author), Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan Ctr Magnet Resonance, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China. |
| 英文摘要 | NMR-based metabonomics has been widely employed to understand the stressor-induced perturbations to mammalian metabolism. However, inter-sample chemical shift variations for metabolites remain an outstanding problem for effective data mining. In this work, we systematically investigated the effects of pH and ionic strength on the chemical shifts for a mixture of 9 urinary metabolites. We found that the chemical shifts were decreased with the rise of pH but increased with the increase of ionic strength, which probably resulted from the pH- and ionic strength-induced alteration to the ionization equilibrium for the function groups. We also found that the chemical shift variations for most metabolites were reduced to less than 0.004 ppm when the pH was 7.1-7.7 and the salt concentration was less than 0.15 M. Based on subsequent optimization to minimize chemical shift variation, sample dilution and maximize the signal-to-noise ratio, we proposed a new buffer system consisting of K(2)HPO(4) and NaH(2)PO(4) (pH 7.4, 1.5 M) with buffer-urine volume ratio of 1 : 10 for human urinary metabonomic studies; we suggest that the chemical shifts for the proton signals of citrate and aromatic signals of histidine be corrected prior to multivariate data analysis especially when high resolution data were employed. Based on these, an optimized sample preparation method has been developed for NMR-based urinary metabonomic studies. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Analytical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | MAGNETIC-RESONANCE-SPECTROSCOPY ; SPINNING H-1-NMR SPECTROSCOPY ; PRINCIPAL COMPONENT ANALYSIS ; MULTIVARIATE DATA-ANALYSIS ; PATTERN-RECOGNITION ; DIETARY ISOFLAVONES ; HYDRAZINE TOXICITY ; PEAK ALIGNMENT ; IONIC-STRENGTH ; INBORN-ERRORS |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000265355600016 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/2289]  |
| 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.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan Ctr Magnet Resonance, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China 3.Wuhan Univ Sci & Technol, Coll Chem Engn & Technol, Wuhan 430081, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiao, Chaoni,Hao, Fuhua,Qin, Xiaorong,et al. An optimized buffer system for NMR-based urinary metabonomics with effective pH control, chemical shift consistency and dilution minimization[J]. ANALYST,2009,134(5):916-925. |
| APA | Xiao, Chaoni,Hao, Fuhua,Qin, Xiaorong,Wang, Yulan,&Tang, Huiru.(2009).An optimized buffer system for NMR-based urinary metabonomics with effective pH control, chemical shift consistency and dilution minimization.ANALYST,134(5),916-925. |
| MLA | Xiao, Chaoni,et al."An optimized buffer system for NMR-based urinary metabonomics with effective pH control, chemical shift consistency and dilution minimization".ANALYST 134.5(2009):916-925. |
入库方式： OAI收割
来源：武汉物理与数学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。