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Validated ultra-high-performance liquid-chromatography hybrid high-resolution mass spectrometry and laser-assisted rapid evaporative ionization mass spectrometry for salivary metabolomics

(2020) ANALYTICAL CHEMISTRY. 92(7). p.5116-5124
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Abstract
Whereas urine and blood are typically targeted in clinical research, saliva represents an interesting alternative because its intrinsic metabolome is chemically diverse and reflective for various biological processes. Moreover, saliva collection is easy and noninvasive, which is especially valuable for cohorts in which sample collection is challenging, for example, infants and children. With this rationale, we established a validated ultra-high-performance liquid chromatography high-resolution mass spectrometry (UHPLC-HRMS) method for salivary metabolic profiling and fingerprinting. Hereby, 450 mu L of saliva was centrifuged and passed over a 0.45-mu m polyamide membrane filter, after which the extract was subjected to chromatographic analysis (HSS T3 column) and QExactive Orbitrap-MS. For the majority of the profiled metabolites, good linearity (R-2 >= 0.99) and precision (coefficient of variance <= 15%) was achieved. The fingerprinting performance was evaluated based on the complete metabolome (11 385 components), whereby 76.8% was found compliant with the criteria for precision (coefficient of variance <= 30%) and 82.7% with linearity (R-2 >= 0.99). In addition, the method was proven fitfor-purpose for a cohort of 140 adolescents (6-16 years, stratified according to weight), yielding relevant profiles (45 obesity-related metabolites) and discriminative fingerprints (Q(2) of 0.784 for supervised discriminant analysis). Alternatively, laser-assisted rapid evaporative ionization mass spectrometry (LA-REIMS) was established for rapid fingerprinting of saliva, thereby using a Nd:YAG laser and Xevo G2-XS QToF-MS. With an acquisition time of 0.5 min per sample, LA-REIMS offers unique opportunities for point-of-care applications. In conclusion, this work presents a platform of UHPLC-HRMS and LA-REIMS, complementing each other to perform salivary metabolomics.
Keywords
URINE, DIAGNOSTICS, BIOMARKERS, BLOOD

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MLA
Wijnant, Kathleen, et al. “Validated Ultra-High-Performance Liquid-Chromatography Hybrid High-Resolution Mass Spectrometry and Laser-Assisted Rapid Evaporative Ionization Mass Spectrometry for Salivary Metabolomics.” ANALYTICAL CHEMISTRY, vol. 92, no. 7, 2020, pp. 5116–24, doi:10.1021/acs.analchem.9b05598.
APA
Wijnant, K., Van Meulebroek, L., Pomian, B., De Windt, K., De Henauw, S., Michels, N., & Vanhaecke, L. (2020). Validated ultra-high-performance liquid-chromatography hybrid high-resolution mass spectrometry and laser-assisted rapid evaporative ionization mass spectrometry for salivary metabolomics. ANALYTICAL CHEMISTRY, 92(7), 5116–5124. https://doi.org/10.1021/acs.analchem.9b05598
Chicago author-date
Wijnant, Kathleen, Lieven Van Meulebroek, Beata Pomian, Kimberly De Windt, Stefaan De Henauw, Nathalie Michels, and Lynn Vanhaecke. 2020. “Validated Ultra-High-Performance Liquid-Chromatography Hybrid High-Resolution Mass Spectrometry and Laser-Assisted Rapid Evaporative Ionization Mass Spectrometry for Salivary Metabolomics.” ANALYTICAL CHEMISTRY 92 (7): 5116–24. https://doi.org/10.1021/acs.analchem.9b05598.
Chicago author-date (all authors)
Wijnant, Kathleen, Lieven Van Meulebroek, Beata Pomian, Kimberly De Windt, Stefaan De Henauw, Nathalie Michels, and Lynn Vanhaecke. 2020. “Validated Ultra-High-Performance Liquid-Chromatography Hybrid High-Resolution Mass Spectrometry and Laser-Assisted Rapid Evaporative Ionization Mass Spectrometry for Salivary Metabolomics.” ANALYTICAL CHEMISTRY 92 (7): 5116–5124. doi:10.1021/acs.analchem.9b05598.
Vancouver
1.
Wijnant K, Van Meulebroek L, Pomian B, De Windt K, De Henauw S, Michels N, et al. Validated ultra-high-performance liquid-chromatography hybrid high-resolution mass spectrometry and laser-assisted rapid evaporative ionization mass spectrometry for salivary metabolomics. ANALYTICAL CHEMISTRY. 2020;92(7):5116–24.
IEEE
[1]
K. Wijnant et al., “Validated ultra-high-performance liquid-chromatography hybrid high-resolution mass spectrometry and laser-assisted rapid evaporative ionization mass spectrometry for salivary metabolomics,” ANALYTICAL CHEMISTRY, vol. 92, no. 7, pp. 5116–5124, 2020.
@article{8653724,
  abstract     = {Whereas urine and blood are typically targeted in clinical research, saliva represents an interesting alternative because its intrinsic metabolome is chemically diverse and reflective for various biological processes. Moreover, saliva collection is easy and noninvasive, which is especially valuable for cohorts in which sample collection is challenging, for example, infants and children. With this rationale, we established a validated ultra-high-performance liquid chromatography high-resolution mass spectrometry (UHPLC-HRMS) method for salivary metabolic profiling and fingerprinting. Hereby, 450 mu L of saliva was centrifuged and passed over a 0.45-mu m polyamide membrane filter, after which the extract was subjected to chromatographic analysis (HSS T3 column) and QExactive Orbitrap-MS. For the majority of the profiled metabolites, good linearity (R-2 >= 0.99) and precision (coefficient of variance <= 15%) was achieved. The fingerprinting performance was evaluated based on the complete metabolome (11 385 components), whereby 76.8% was found compliant with the criteria for precision (coefficient of variance <= 30%) and 82.7% with linearity (R-2 >= 0.99). In addition, the method was proven fitfor-purpose for a cohort of 140 adolescents (6-16 years, stratified according to weight), yielding relevant profiles (45 obesity-related metabolites) and discriminative fingerprints (Q(2) of 0.784 for supervised discriminant analysis). Alternatively, laser-assisted rapid evaporative ionization mass spectrometry (LA-REIMS) was established for rapid fingerprinting of saliva, thereby using a Nd:YAG laser and Xevo G2-XS QToF-MS. With an acquisition time of 0.5 min per sample, LA-REIMS offers unique opportunities for point-of-care applications. In conclusion, this work presents a platform of UHPLC-HRMS and LA-REIMS, complementing each other to perform salivary metabolomics.},
  author       = {Wijnant, Kathleen and Van Meulebroek, Lieven and Pomian, Beata and De Windt, Kimberly and De Henauw, Stefaan and Michels, Nathalie and Vanhaecke, Lynn},
  issn         = {0003-2700},
  journal      = {ANALYTICAL CHEMISTRY},
  keywords     = {URINE,DIAGNOSTICS,BIOMARKERS,BLOOD},
  language     = {eng},
  number       = {7},
  pages        = {5116--5124},
  title        = {Validated ultra-high-performance liquid-chromatography hybrid high-resolution mass spectrometry and laser-assisted rapid evaporative ionization mass spectrometry for salivary metabolomics},
  url          = {http://dx.doi.org/10.1021/acs.analchem.9b05598},
  volume       = {92},
  year         = {2020},
}

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