Abstract
A diet rich in phytochemicals confers benefits for health by reducing the risk of chronic diseases via regulation of oxidative stress and inflammation (OSI). For optimal protective bio-efficacy, the time required for phytochemicals and their metabolites to reach maximal plasma concentrations (Tmax) should be synchronised with the time of increased OSI. A statistical model has been reported to predict Tmax of individual phytochemicals based on molecular mass and lipophilicity. We report the application of the model for predicting the absorption profile of an uncharacterised phytochemical mixture, herein referred to as the ‘functional fingerprint’. First, chemical profiles of phytochemical extracts were acquired using liquid chromatography mass spectrometry (LC-MS), then the molecular features for respective components were used to predict their plasma absorption maximum, based on molecular mass and lipophilicity. This method of ‘functional fingerprinting’ of plant extracts represents a novel tool for understanding and optimising the health efficacy of plant extracts.
| Original language | English |
|---|---|
| Pages (from-to) | 353-363 |
| Number of pages | 11 |
| Journal | Food Chemistry |
| Volume | 245 |
| DOIs | |
| Publication status | Published - 15 Apr 2018 |
| Externally published | Yes |
Keywords
- LC-MS
- Log P
- Molecular mass
- Phytochemical absorption prediction model
- Secondary metabolites
- Tmax
- Untargeted profiling
Cite this
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Statistical modelling coupled with LC-MS analysis to predict human upper intestinal absorption of phytochemical mixtures. / Selby-Pham, Sophie N.B.; Howell, Kate S.; Dunshea, Frank R.; Ludbey, Joel; Lutz, Adrian; Bennett, Louise.
In: Food Chemistry, Vol. 245, 15.04.2018, p. 353-363.Research output: Contribution to journal › Article › Research › peer-review
TY - JOUR
T1 - Statistical modelling coupled with LC-MS analysis to predict human upper intestinal absorption of phytochemical mixtures
AU - Selby-Pham, Sophie N.B.
AU - Howell, Kate S.
AU - Dunshea, Frank R.
AU - Ludbey, Joel
AU - Lutz, Adrian
AU - Bennett, Louise
PY - 2018/4/15
Y1 - 2018/4/15
N2 - A diet rich in phytochemicals confers benefits for health by reducing the risk of chronic diseases via regulation of oxidative stress and inflammation (OSI). For optimal protective bio-efficacy, the time required for phytochemicals and their metabolites to reach maximal plasma concentrations (Tmax) should be synchronised with the time of increased OSI. A statistical model has been reported to predict Tmax of individual phytochemicals based on molecular mass and lipophilicity. We report the application of the model for predicting the absorption profile of an uncharacterised phytochemical mixture, herein referred to as the ‘functional fingerprint’. First, chemical profiles of phytochemical extracts were acquired using liquid chromatography mass spectrometry (LC-MS), then the molecular features for respective components were used to predict their plasma absorption maximum, based on molecular mass and lipophilicity. This method of ‘functional fingerprinting’ of plant extracts represents a novel tool for understanding and optimising the health efficacy of plant extracts.
AB - A diet rich in phytochemicals confers benefits for health by reducing the risk of chronic diseases via regulation of oxidative stress and inflammation (OSI). For optimal protective bio-efficacy, the time required for phytochemicals and their metabolites to reach maximal plasma concentrations (Tmax) should be synchronised with the time of increased OSI. A statistical model has been reported to predict Tmax of individual phytochemicals based on molecular mass and lipophilicity. We report the application of the model for predicting the absorption profile of an uncharacterised phytochemical mixture, herein referred to as the ‘functional fingerprint’. First, chemical profiles of phytochemical extracts were acquired using liquid chromatography mass spectrometry (LC-MS), then the molecular features for respective components were used to predict their plasma absorption maximum, based on molecular mass and lipophilicity. This method of ‘functional fingerprinting’ of plant extracts represents a novel tool for understanding and optimising the health efficacy of plant extracts.
KW - LC-MS
KW - Log P
KW - Molecular mass
KW - Phytochemical absorption prediction model
KW - Secondary metabolites
KW - Tmax
KW - Untargeted profiling
UR - http://www.scopus.com/inward/record.url?scp=85032282956&partnerID=8YFLogxK
U2 - 10.1016/j.foodchem.2017.10.102
DO - 10.1016/j.foodchem.2017.10.102
M3 - Article
VL - 245
SP - 353
EP - 363
JO - Food Chemistry
JF - Food Chemistry
SN - 0308-8146
ER -