质谱在代谢组学中的应用
发布于 2005-09-21 · 浏览 1655 · IP 广东广东
这个帖子发布于 19 年零 262 天前，其中的信息可能已发生改变或有所发展。
第十三届全国有机质谱学术会议在广州召开
下面把2005年有关质谱在代谢组学中的应用文献列出来供各位战友参考
No.1
Strategy for metabonomics research based on high-performance liquid chromatography and liquid chromatography coupled with tandem mass spectrometry.
Yang J, Xu G, Zheng Y, Kong H, Wang C, Zhao X, Pang T.
National Chromatographic R&A Center, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116011 Dalian, China.
Metabonomics, the study of metabolites and their roles in various disease states, is a novel methodology arising from the post-genomics era. This methodology has been applied in many fields. Current metabonomic practice has relied on mass spectrometry (MS), gas chromatography-mass spectrometry (GC-MS), and nuclear magnetic resonance (NMR) to analyze metabolites. In this study, a strategy was developed for applying high-performance liquid chromatography (HPLC) and LC-MS-MS to metabonomics research. One of the key problems to be solved in this strategy is to match the peaks between the chromatograms. A peak alignment algorithm has been developed to match the chromatograms before the pattern recognition. As an application example, the strategy described above was applied to metabonomics research on liver diseases, and the false-positive result of live cancer diagnosis from the hepatocirrhosis and hepatitis diseases was effectively reduced to 7.40%. Based on the pattern recognition, several potential biomarkers were found and further identified by the following LC-MS-MS experiments. The structures of eight potential biomarkers were given for distinguishing the liver cancer from the hepatocirrhosis and hepatitis diseases.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=16114257&query_hl=24
No.2
Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high-performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis.
Wang C, Kong H, Guan Y, Yang J, Gu J, Yang S, Xu G.
National Chromatographic R&A Center, Dalian Institute of Chemical Physics, the Chinese Academy of Sciences, Dalian 116023, China.
Liquid chromatography/mass spectrometry (LC/MS) followed by multivariate statistical analysis has been successfully applied to the plasma phospholipids metabolic profiling in type 2 diabetes mellitus (DM-2). Principal components analysis and partial least-squares discriminant analysis (PLS-DA) models were tested and compared in class separation between the DM2 and control. The application of an orthogonal signal correction filtered model highly improved the class distinction and predictive power of PLS-DA models. Additionally, unit variance scaling was also tested. With this methodology, it was possible not only to differentiate the DM2 from the control but also to discover and identify the potential biomarkers with LC/MS/MS. The proposed method shows that LC/MS combining with multivariate statistical analysis is a complement or an alternative to NMR for metabonomics applications.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15987116&query_hl=24
No.3
A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice.
Plumb RS, Granger JH, Stumpf CL, Johnson KA, Smith BW, Gaulitz S, Wilson ID, Castro-Perez J.
Waters Corporation, 34 Maple Street, Milford, MA 01757, USA. Rob_Plumb@Waters.com
The use of Ultra Performance Liquid Chromatography (UPLC), with a rapid 1.5 minute reversed-phase gradient separation on a 1.7 microm reversed-phase packing material to provide rapid "high throughput" support for metabonomic screening is demonstrated. The peak capacity and the number of marker ions detected using these fast UPLC separations and oa-TOF MS was found to be similar to that generated by conventional HPLC-MS methods with a 10 minute separation. The UPLC-MS methodology was applied to the analysis of urine samples from rodents, including normal and Zucker obese rats and three strains of mice (of both sexes), and was found to provide rapid discrimination between age, strain, gender and diurnal variation.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15912231&query_hl=24
No.4
FT-ICR mass spectrometry in the drug discovery process.
Zhang J, McCombie G, Guenat C, Knochenmuss R.
Novartis Institutes for Biomedical Research, Lichtstrasse 35, CH 4056 Basel, Switzerland.
The high mass accuracy and resolution of Fourier transform (FT)-ion cyclotron resonance (ICR) mass spectrometry are making it an increasingly useful tool in drug discovery and development. The basics of FT-ICR are described here, including modern ion sources and fragmentation methods. Although FT-ICR is not a high-throughput method in the traditional sense, previously difficult and complex problems are being efficiently approached using steadily improving instruments and magnets. Applications are surveyed in fields such as proteomics, metabonomics, natural product analysis and non-covalent complexes
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15894228&query_hl=24
下面把2005年有关质谱在代谢组学中的应用文献列出来供各位战友参考
No.1
Strategy for metabonomics research based on high-performance liquid chromatography and liquid chromatography coupled with tandem mass spectrometry.
Yang J, Xu G, Zheng Y, Kong H, Wang C, Zhao X, Pang T.
National Chromatographic R&A Center, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116011 Dalian, China.
Metabonomics, the study of metabolites and their roles in various disease states, is a novel methodology arising from the post-genomics era. This methodology has been applied in many fields. Current metabonomic practice has relied on mass spectrometry (MS), gas chromatography-mass spectrometry (GC-MS), and nuclear magnetic resonance (NMR) to analyze metabolites. In this study, a strategy was developed for applying high-performance liquid chromatography (HPLC) and LC-MS-MS to metabonomics research. One of the key problems to be solved in this strategy is to match the peaks between the chromatograms. A peak alignment algorithm has been developed to match the chromatograms before the pattern recognition. As an application example, the strategy described above was applied to metabonomics research on liver diseases, and the false-positive result of live cancer diagnosis from the hepatocirrhosis and hepatitis diseases was effectively reduced to 7.40%. Based on the pattern recognition, several potential biomarkers were found and further identified by the following LC-MS-MS experiments. The structures of eight potential biomarkers were given for distinguishing the liver cancer from the hepatocirrhosis and hepatitis diseases.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=16114257&query_hl=24
No.2
Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high-performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis.
Wang C, Kong H, Guan Y, Yang J, Gu J, Yang S, Xu G.
National Chromatographic R&A Center, Dalian Institute of Chemical Physics, the Chinese Academy of Sciences, Dalian 116023, China.
Liquid chromatography/mass spectrometry (LC/MS) followed by multivariate statistical analysis has been successfully applied to the plasma phospholipids metabolic profiling in type 2 diabetes mellitus (DM-2). Principal components analysis and partial least-squares discriminant analysis (PLS-DA) models were tested and compared in class separation between the DM2 and control. The application of an orthogonal signal correction filtered model highly improved the class distinction and predictive power of PLS-DA models. Additionally, unit variance scaling was also tested. With this methodology, it was possible not only to differentiate the DM2 from the control but also to discover and identify the potential biomarkers with LC/MS/MS. The proposed method shows that LC/MS combining with multivariate statistical analysis is a complement or an alternative to NMR for metabonomics applications.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15987116&query_hl=24
No.3
A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice.
Plumb RS, Granger JH, Stumpf CL, Johnson KA, Smith BW, Gaulitz S, Wilson ID, Castro-Perez J.
Waters Corporation, 34 Maple Street, Milford, MA 01757, USA. Rob_Plumb@Waters.com
The use of Ultra Performance Liquid Chromatography (UPLC), with a rapid 1.5 minute reversed-phase gradient separation on a 1.7 microm reversed-phase packing material to provide rapid "high throughput" support for metabonomic screening is demonstrated. The peak capacity and the number of marker ions detected using these fast UPLC separations and oa-TOF MS was found to be similar to that generated by conventional HPLC-MS methods with a 10 minute separation. The UPLC-MS methodology was applied to the analysis of urine samples from rodents, including normal and Zucker obese rats and three strains of mice (of both sexes), and was found to provide rapid discrimination between age, strain, gender and diurnal variation.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15912231&query_hl=24
No.4
FT-ICR mass spectrometry in the drug discovery process.
Zhang J, McCombie G, Guenat C, Knochenmuss R.
Novartis Institutes for Biomedical Research, Lichtstrasse 35, CH 4056 Basel, Switzerland.
The high mass accuracy and resolution of Fourier transform (FT)-ion cyclotron resonance (ICR) mass spectrometry are making it an increasingly useful tool in drug discovery and development. The basics of FT-ICR are described here, including modern ion sources and fragmentation methods. Although FT-ICR is not a high-throughput method in the traditional sense, previously difficult and complex problems are being efficiently approached using steadily improving instruments and magnets. Applications are surveyed in fields such as proteomics, metabonomics, natural product analysis and non-covalent complexes
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=15894228&query_hl=24
最后编辑于 2022-10-09 · 浏览 1655
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