Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations
NMR based metabolic profiling of blood samples in epidemiological studies can be used for molecular phenotyping and biomarker discovery. Often metabolic changes in blood are more subtle and demand a high quality spectrum especially when looking at low molecular weight compounds. In order to improve...
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| مؤلفون آخرون: | , , , |
| التنسيق: | article |
| منشور في: |
2011
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| الوصول للمادة أونلاين: | http://hdl.handle.net/10725/11116 https://doi.org/10.1007/s11306-010-0248-1 http://libraries.lau.edu.lb/research/laur/terms-of-use/articles.php https://link.springer.com/article/10.1007/s11306-010-0248-1 |
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| _version_ | 1864513488284549120 |
|---|---|
| author | Stolzenburg, Svenja |
| author2 | Lauridsen, Micheal B. Toft, Henrik Zalloua, Pierre A. Baunsgaard, Dorrit |
| author2_role | author author author author |
| author_facet | Stolzenburg, Svenja Lauridsen, Micheal B. Toft, Henrik Zalloua, Pierre A. Baunsgaard, Dorrit |
| author_role | author |
| dc.creator.none.fl_str_mv | Stolzenburg, Svenja Lauridsen, Micheal B. Toft, Henrik Zalloua, Pierre A. Baunsgaard, Dorrit |
| dc.date.none.fl_str_mv | 2011 2019-07-22T07:29:15Z 2019-07-22T07:29:15Z 2019-07-22 |
| dc.identifier.none.fl_str_mv | 1573-3890 http://hdl.handle.net/10725/11116 https://doi.org/10.1007/s11306-010-0248-1 Stolzenburg, S., Lauridsen, M. B., Toft, H., Zalloua, P. A., & Baunsgaard, D. (2011). Improved quality of 1 H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum. Metabolomics, 7(2), 270-277. http://libraries.lau.edu.lb/research/laur/terms-of-use/articles.php https://link.springer.com/article/10.1007/s11306-010-0248-1 |
| dc.language.none.fl_str_mv | en |
| dc.relation.none.fl_str_mv | Metabolomics |
| dc.rights.*.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.title.none.fl_str_mv | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| dc.type.none.fl_str_mv | Article info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | NMR based metabolic profiling of blood samples in epidemiological studies can be used for molecular phenotyping and biomarker discovery. Often metabolic changes in blood are more subtle and demand a high quality spectrum especially when looking at low molecular weight compounds. In order to improve 1H NMR spectroscopic data we compared different serum sample preparation methods. Application of phosphate buffer reduces chemical shift variation, enhances resolution of signal multiplicity, facilitates visual inspection of NMR spectra and annotation of signals compared to traditionally used saline. For analysis of low molecular weight compounds we found that standard 1D spectra of ultrafiltrated serum samples show enhanced spectral quality of small metabolites as compared to transverse relaxation edited spectra (also called Carr–Purcell–Meiboom–Gill, CPMG) spectra of unfiltered serum samples due to improved signal-to-noise ratio. Thus, NMR signals attributable to different amino acids and other small metabolites could readily be detected in spectra of ultrafiltrated serum, but remained invisible in the corresponding CPMG spectra. An OPLS model of fasting blood glucose showed an increase of Q2 when using spectra from ultrafiltrated serum (Q2 = 0.261) compared to using CPMG spectra (Q2 = 0.173). Similar results were observed for OPLS models of BMI (Q2 = 0.253 and Q2 = 0.216, respectively). Furthermore, a reduction in model dimensionality was observed when using ultrafiltrated serum data. In conclusion we recommend sample preparation of serum samples in phosphate buffer instead of saline. Ultrafiltration of serum samples prior to NMR analysis is beneficial especially for low concentrated small metabolites. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | LAURepo_803d0452401e28b5b2ac4d6fee3d0e2f |
| identifier_str_mv | 1573-3890 Stolzenburg, S., Lauridsen, M. B., Toft, H., Zalloua, P. A., & Baunsgaard, D. (2011). Improved quality of 1 H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum. Metabolomics, 7(2), 270-277. |
| language_invalid_str_mv | en |
| network_acronym_str | LAURepo |
| network_name_str | Lebanese American University repository |
| oai_identifier_str | oai:laur.lau.edu.lb:10725/11116 |
| publishDate | 2011 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| spelling | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliationsStolzenburg, SvenjaLauridsen, Micheal B.Toft, HenrikZalloua, Pierre A.Baunsgaard, DorritNMR based metabolic profiling of blood samples in epidemiological studies can be used for molecular phenotyping and biomarker discovery. Often metabolic changes in blood are more subtle and demand a high quality spectrum especially when looking at low molecular weight compounds. In order to improve 1H NMR spectroscopic data we compared different serum sample preparation methods. Application of phosphate buffer reduces chemical shift variation, enhances resolution of signal multiplicity, facilitates visual inspection of NMR spectra and annotation of signals compared to traditionally used saline. For analysis of low molecular weight compounds we found that standard 1D spectra of ultrafiltrated serum samples show enhanced spectral quality of small metabolites as compared to transverse relaxation edited spectra (also called Carr–Purcell–Meiboom–Gill, CPMG) spectra of unfiltered serum samples due to improved signal-to-noise ratio. Thus, NMR signals attributable to different amino acids and other small metabolites could readily be detected in spectra of ultrafiltrated serum, but remained invisible in the corresponding CPMG spectra. An OPLS model of fasting blood glucose showed an increase of Q2 when using spectra from ultrafiltrated serum (Q2 = 0.261) compared to using CPMG spectra (Q2 = 0.173). Similar results were observed for OPLS models of BMI (Q2 = 0.253 and Q2 = 0.216, respectively). Furthermore, a reduction in model dimensionality was observed when using ultrafiltrated serum data. In conclusion we recommend sample preparation of serum samples in phosphate buffer instead of saline. Ultrafiltration of serum samples prior to NMR analysis is beneficial especially for low concentrated small metabolites.PublishedN/A2019-07-22T07:29:15Z2019-07-22T07:29:15Z20112019-07-22Articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article1573-3890http://hdl.handle.net/10725/11116https://doi.org/10.1007/s11306-010-0248-1Stolzenburg, S., Lauridsen, M. B., Toft, H., Zalloua, P. A., & Baunsgaard, D. (2011). Improved quality of 1 H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum. Metabolomics, 7(2), 270-277.http://libraries.lau.edu.lb/research/laur/terms-of-use/articles.phphttps://link.springer.com/article/10.1007/s11306-010-0248-1enMetabolomicsinfo:eu-repo/semantics/openAccessoai:laur.lau.edu.lb:10725/111162021-03-19T10:47:35Z |
| spellingShingle | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations Stolzenburg, Svenja |
| status_str | publishedVersion |
| title | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| title_full | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| title_fullStr | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| title_full_unstemmed | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| title_short | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| title_sort | Improved quality of 1H NMR spectroscopic data for enhanced metabolic profiling of low molecular weight metabolites in human serum Authors Authors and affiliations |
| url | http://hdl.handle.net/10725/11116 https://doi.org/10.1007/s11306-010-0248-1 http://libraries.lau.edu.lb/research/laur/terms-of-use/articles.php https://link.springer.com/article/10.1007/s11306-010-0248-1 |