Towards Best Practice in Hair Metabolomic Studies: Systematic Investigation on the Impact of Hair Length and Color
Abstract
:1. Introduction
2. Results and Discussion
2.1. Hair Color Dependencies of Endogenous Compounds: Interindividual Differences
2.2. Segmental Hair Analysis of Cosmetically Untreated Hair Samples: Intra-Individual Differences
2.3. General Recommendations for Best Practice in Hair Metabolomics Studies and Future Perspectives
2.4. Limitations of the Study
3. Materials and Methods
3.1. Chemicals and Reagents
3.2. Hair Samples
3.3. Hair Sample Preparation
3.4. Liquid Chromatography High-Resolution Mass Spectrometry (HPLC-HRMS)
3.5. Data Processing and Statistics
4. Conclusions
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Analyte | Compound Class | Formula | pKa | Analytics | Differences between Hair Colors | Differences between Hair Segments | |||||
---|---|---|---|---|---|---|---|---|---|---|---|
A vs. B | B vs. C | A vs. C | A vs. D | B vs. D | C vs. D | ||||||
Choline | 1,2-Aminoalcohols | C5H14NO | 13.97 | HSST ESI + | black to blond: ↓ * | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ ** | ↓ ** |
Cysteic acid | Amino acids and derivatives | C3H7NO5S | −1.7 | HILIC ESI − | black to blond: ↓ ** | n.s. | n.s. | n.s. | n.s. | n.s. | n.s. |
black to light brown: ↓ * | |||||||||||
Urocanic acid | Amino acids and derivatives | C6H6N2O2 | 3.85 | HILIC ESI + | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ *** | n.s. | n.s. |
Citrulline | Amino acids and derivatives | C6H13N3O3 | 2.27 | HILIC ESI − | n.s. | ↓ **** | ↓ *** | ↓ **** | ↓ **** | ↓ *** | ↓ ** |
Trimethyllysine | Amino acids and derivatives | C9H20N2O2 | 2.41 | HSST ESI + | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ * | ↓ ** |
Pyroglutamic acid | Amino acids and derivatives | C5H7NO3 | 3.61 | HILIC ESI − | n.s. | ↓ **** | ↓ ** | ↓ **** | ↓ **** | ↓ *** | ↓ * |
Cysteinesulfate | Amino acids and derivatives | C3H7NO5S2 | −1.9 | HILIC ESI − | n.s. | ↑ **** | ↑ *** | ↑ **** | ↑ **** | ↑ *** | n.s. |
Ornithine | Amino acids and derivatives | C5H12N2O2 | 2.67 | HILIC ESI + | n.s. | ↓ **** | n.s. | ↓ * | ↓ * | n.s. | n.s. |
Indole-3-lactic acid | Amino acids and derivatives | C11H11NO3 | 4.14 | HSST ESI + | n.s. | ↓ **** | ↓ ** | ↓ *** | ↓ *** | ↓ ** | ↓ *** |
Taurine | Amino acids and derivatives | C2H7NO3S | −1.5 | HILIC ESI - | n.s. | ↓ *** | ↓ *** | ↓ **** | ↓ **** | ↓ ** | n.s. |
Creatinine | Amino acids and derivatives | C4H7N3O | 9.21 | HSST ESI + | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ * | ↓ * |
Serine | Amino acids and derivatives | C3H7NO3 | 2.03 | HILIC ESI − | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ * | n.s. |
Arginine | Amino acids and derivatives | C6H14N4O2 | 2.41 | HSST ESI + | n.s. | ↓ **** | n.s. | ↓ **** | ↓ **** | n.s. | ↓ * |
Lysine | Amino acids and derivatives | C6H14N2O2 | 2.74 | HILIC ESI + | n.s. | ↓ **** | n.s. | ↓ **** | ↓ **** | n.s. | n.s. |
Phenylalanine | Amino acids and derivatives | C9H11NO2 | 2.47 | HSST ESI + | n.s. | ↓ **** | n.s. | ↓ **** | ↓ **** | n.s. | n.s. |
Tyrosine | Amino acids and derivatives | C9H11NO3 | 2.0 | HILIC ESI + | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ **** | n.s. | n.s. |
Tryptophan | Amino acids and derivatives | C11H12N2O2 | 2.54 | HSST ESI + | n.s. | ↓ **** | n.s. | ↓ **** | ↓ **** | n.s. | ↓ * |
Glutamic acid | Amino acids and derivatives | C5H9NO4 | 1.88 | HSST ESI + | n.s. | ↓ **** | ↓ ** | ↓ **** | ↓ **** | ↓ ** | ↓ ** |
Aspartic acid | Amino acids and derivatives | C4H7NO4 | 1.7 | HSST ESI - | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ * | n.s. |
Histidine | Amino acids and derivatives | C6H9N3O2 | 1.85 | HSST ESI + | n.s. | ↓ * | n.s. | ↓ * | ↓ *** | n.s. | n.s. |
N-Acetylneuraminic acid | Carbohydrates and carbohydrate conjugates | C11H19NO9 | 3.0 | HILIC ESI + | black to blond: ↓ * | ↓ ** | ↓ * | ↓ **** | ↓ **** | ↓ ** | ↓ ** |
Carnitine (C0) | Carnitines | C7H15NO3 | 4.2 | HSST ESI + | n.s. | ↓ **** | ↓ **** | ↓ **** | ↓ **** | ↓ **** | ↓ ** |
Acetylcarnitine (C2) | Carnitines | C9H17NO4 | 4.09 | HILIC ESI + | n.s. | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ ** | ↓ * |
Butyrylcarnitine (C4) | Carnitines | C11H21NO4 | 4.27 | HILIC ESI + | n.s. | ↓ **** | n.s. | ↓ **** | ↓ **** | ↓ * | n.s. |
Hexanoylcarnitine (C6) | Carnitines | C13H25NO4 | 4.22 | HSST ESI + | black to blond: ↓ * | ↓ **** | ↓ * | ↓ **** | ↓ **** | ↓ * | n.s. |
black to light brown: ↓ * | |||||||||||
Octanoylcarnitine (C8) | Carnitines | C15H29NO4 | 4.22 | HSST ESI + | black to blond: ↓ ** | ↓ *** | ↓ ** | ↓ **** | ↓ **** | ↓ *** | n.s. |
black to light brown: ↓ ** | |||||||||||
Decanoylcarnitine (C10) | Carnitines | C17H33NO4 | 4.22 | HSST ESI + | black to light brown: ↓ * | ↓ **** | ↓ *** | ↓ **** | ↓ **** | ↓ **** | ↓ ** |
Riboflavin | Cofactors | C17H20N4O6 | 5.97 | HSST ESI + | black to blond: ↓ ** | ↓ *** | n.s. | ↓ *** | ↓ *** | ↓ * | ↓ * |
Nicotinamide | Cofactors | C6H6N2O | 13.39 | HSST ESI + | n.s. | ↓ ** | n.s. | ↓ ** | ↓ **** | n.s. | n.s. |
Inosine | Nucleosides and nucleotides | C10H12N4O5 | 6.94 | HILIC ESI − | n.s. | ↓ ** | n.s. | ↓ *** | ↓ *** | ↓ ** | ↓ ** |
Adenosine | Nucleosides and nucleotides | C10H13N5O4 | 12.45 | HSST ESI + | n.s. | ↓ ** | n.s. | ↓ **** | ↓ **** | n.s. | n.s. |
Adenine | Nucleosides and nucleotides | C5H5N5 | 10.29 | HSST ESI + | n.s. | n.s. | ↑ * | n.s. | ↑ *** | ↑ *** | ↑ * |
Theobromine | Purines and derivatives | C7H8N4O2 | 9.28 | HSST ESI + | n.s. | ↓ **** | ↓ ** | ↓ **** | ↓ **** | ↓ ** | ↓ *** |
Theophylline | Purines and derivatives | C7H8N4O2 | 7.82 | HILIC ESI + | black to blond: ↓ * | ↓ *** | ↑ ** | ↓ *** | ↓ **** | ↓ ** | ↓ * |
black to light brown: ↓ * | |||||||||||
black to dark brown: ↓ * | |||||||||||
Hypoxanthine | Purines and derivatives | C5H4N4O | 8.72 | HSST ESI + | n.s. | ↓ *** | ↓ ** | ↓ **** | ↓ **** | ↓ * | ↓ * |
Uric acid | Purines and derivatives | C5H4N4O3 | 7.25 | HILIC ESI − | n.s. | ↓ ** | n.s. | ↓ *** | ↓ **** | ↓ ** | ↓ ** |
Subject Number | Hair Color | Sampling Month | Hair Length (cm) | Number of Analyzed Segments |
---|---|---|---|---|
1 | dark blond | 05/2019 | 15 | 5 |
11/2019 | 15 | 4 | ||
2 | dark blond | 05/2019 | 16 | 5 |
11/2019 | 16 | 4 | ||
3 | dark blond | 05/2019 | 14 | 5 |
11/2019 | 18 | 4 | ||
4 | dark brown | 11/2018 | 35 | 4 |
05/2019 | 32 | 4 | ||
5 | dark brown | 11/2018 | 37 | 4 |
05/2019 | 12 | 3 | ||
6 | dark brown | 11/2018 | 24 | 5 |
05/2019 | 33 | 5 | ||
7 | dark brown | 11/2018 | 12 | 4 |
05/2019 | 8 | 2 | ||
8 | dark brown | 10/2018 | 16 | 5 |
04/2019 | 14 | 3 | ||
9 | medium brown | 05/2019 | 23 | 6 |
11/2019 | 25 | 6 | ||
10 | medium brown | 10/2018 | 28 | 4 |
04/2019 | 25 | 5 |
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Eisenbeiss, L.; Binz, T.M.; Baumgartner, M.R.; Kraemer, T.; Steuer, A.E. Towards Best Practice in Hair Metabolomic Studies: Systematic Investigation on the Impact of Hair Length and Color. Metabolites 2020, 10, 381. https://doi.org/10.3390/metabo10100381
Eisenbeiss L, Binz TM, Baumgartner MR, Kraemer T, Steuer AE. Towards Best Practice in Hair Metabolomic Studies: Systematic Investigation on the Impact of Hair Length and Color. Metabolites. 2020; 10(10):381. https://doi.org/10.3390/metabo10100381
Chicago/Turabian StyleEisenbeiss, Lisa, Tina M. Binz, Markus R. Baumgartner, Thomas Kraemer, and Andrea E. Steuer. 2020. "Towards Best Practice in Hair Metabolomic Studies: Systematic Investigation on the Impact of Hair Length and Color" Metabolites 10, no. 10: 381. https://doi.org/10.3390/metabo10100381