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A surface-enhanced Raman spectroscopy database of 63 metabolites.

ABSTRACT: Metabolomics, the study of metabolic profiles in a biological sample, has seen rapid growth due to advances in measurement technologies such as mass spectrometry (MS). While MS metabolite reference libraries have been generated for metabolomics applications, mass spectra alone are unable to unambiguously identify many metabolites in a sample; these unidentified compounds are typically annotated as "features". Surface-enhanced Raman spectroscopy (SERS) is an interesting technology for metabolite identification based on vibrational spectra. However, no reports have been published that present SERS metabolite spectra from chemical libraries. In this paper, we demonstrate that an untargeted approach utilizing citrate-capped silver nanoparticles yields SERS spectra for 20% of 80 compounds chosen randomly from a commercial metabolite library. Furthermore, prescreening of the metabolites according to chemical functionality allowed for the efficient identification of samples within the library that yield distinctive SERS spectra under our experimental conditions. Last, we present a reference database of 63 metabolite SERS spectra for use as an identification tool in metabolomics studies; this set includes 30 metabolites that have not had previously published SERS spectra.

SUBMITTER: Sherman LM

PROVIDER: S-EPMC6989628 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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A surface-enhanced Raman spectroscopy database of 63 metabolites.

Sherman Lindy M LM Petrov Alexander P AP Karger Leonhard F P LFP Tetrick Maxwell G MG Dovichi Norman J NJ Camden Jon P JP

Talanta 20191217

Metabolomics, the study of metabolic profiles in a biological sample, has seen rapid growth due to advances in measurement technologies such as mass spectrometry (MS). While MS metabolite reference libraries have been generated for metabolomics applications, mass spectra alone are unable to unambiguously identify many metabolites in a sample; these unidentified compounds are typically annotated as "features". Surface-enhanced Raman spectroscopy (SERS) is an interesting technology for metabolite ...[more]

PMID: 31987216

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Project description:Metabolomics is an emerging field of cell biology that aims at the comprehensive identification of metabolite levels in biological fluids or cells in a specific functional state. Currently, the major tools for determining metabolite concentrations are mass spectrometry coupled with chromatographic techniques and nuclear magnetic resonance, which are expensive, time consuming and destructive for the samples. Here, we report a time resolved approach to monitor metabolite dynamics in cell cultures, based on Surface Enhanced Raman Scattering (SERS). This method is label-free, easy to use and provides the opportunity to simultaneously study a broad range of molecules, without the need to process the biological samples. As proof of concept, NIH/3T3 cells were cultured in vitro, and the extracellular medium was collected at different time points to be analyzed with our engineered SERS substrates. By identifying individual peaks of the Raman spectra, we showed the simultaneous detection of several components of the conditioned medium, such as L-tyrosine, L-tryptophan, glycine, L-phenylalanine, L-histidine and fetal bovine serum proteins, as well as their intensity changes during time. Furthermore, analyzing the whole Raman data set with the Principal Component Analysis (PCA), we demonstrated that the Raman spectra collected at different days of culture and clustered by similarity, described a well-defined trajectory in the principal component plot. This approach was then utilized to determine indirectly the functional state of the macrophage cell line Raw 264.7, stimulated with the lipopolysaccharide (LPS) for 24 hours. The collected spectra at different time points, clustered by the PCA analysis, followed a well-defined trajectory, corresponding to the functional change of cells toward the activated pro-inflammatory state induced by the LPS. This study suggests that our engineered SERS surfaces can be used as a versatile tool both for the characterization of cell culture conditions and the functional state of cells over time.

Dataset Information

A surface-enhanced Raman spectroscopy database of 63 metabolites.

Publications

A surface-enhanced Raman spectroscopy database of 63 metabolites.

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