First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.)

Research output: Contribution to journalJournal articlepeer-review

Standard

First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.). / Aru, Violetta; Motawie, Mohammed Saddik; Khakimov, Bekzod; Sørensen, Klavs Martin; Møller, Birger Lindberg; Engelsen, Søren Balling.

In: Food Chemistry, Vol. 328, 126959, 2020.

Research output: Contribution to journalJournal articlepeer-review

Harvard

Aru, V, Motawie, MS, Khakimov, B, Sørensen, KM, Møller, BL & Engelsen, SB 2020, 'First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.)', Food Chemistry, vol. 328, 126959. https://doi.org/10.1016/j.foodchem.2020.126959

APA

Aru, V., Motawie, M. S., Khakimov, B., Sørensen, K. M., Møller, B. L., & Engelsen, S. B. (2020). First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.). Food Chemistry, 328, [126959]. https://doi.org/10.1016/j.foodchem.2020.126959

Vancouver

Aru V, Motawie MS, Khakimov B, Sørensen KM, Møller BL, Engelsen SB. First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.). Food Chemistry. 2020;328. 126959. https://doi.org/10.1016/j.foodchem.2020.126959

Author

Aru, Violetta ; Motawie, Mohammed Saddik ; Khakimov, Bekzod ; Sørensen, Klavs Martin ; Møller, Birger Lindberg ; Engelsen, Søren Balling. / First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.). In: Food Chemistry. 2020 ; Vol. 328.

Bibtex

@article{399acac720004832b21acf64b6a09b2c,
title = "First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.)",
abstract = "This study presents a level-1 identification of the seven carbon (7-C) sugar C-methyl-scyllo-inositol (mytilitol) in mussels and clams (Mytilus and Ruditapes spp., respectively) purchased in Denmark and Italy. For each sample, the hydrophilic extract of the soft tissue was analyzed by proton nuclear magnetic resonance (1H NMR) spectroscopy using a 600 MHz NMR spectrometer. A first tentative identification of mytilitol was carried out by computing a statistical total correlation spectroscopy (STOCY) analysis of the 1H NMR spectra, followed by a level-1 identification based on first-principles methods including chemical synthesis, structure elucidation and standard-addition experiments. Mytilitol was quantified in the 1H NMR spectra and its average relative concentration turned out to be significantly lower in clams than in mussels (p-value < 0.001), with Danish mussels having the highest mytilitol concentration. Principal component analysis (PCA) of the NMR dataset brought further evidence to a species-specific and geographic-dependent content of mytilitol in mussels and clams.",
keywords = "Bivalve molluscs, C-methyl-scyllo-inositol, Foodome, Metabolomics, Mytilitol, NMR spectroscopy, Seafood, Seven-carbon (7-C) sugar alcohols",
author = "Violetta Aru and Motawie, {Mohammed Saddik} and Bekzod Khakimov and S{\o}rensen, {Klavs Martin} and M{\o}ller, {Birger Lindberg} and Engelsen, {S{\o}ren Balling}",
year = "2020",
doi = "10.1016/j.foodchem.2020.126959",
language = "English",
volume = "328",
journal = "Food Chemistry",
issn = "0308-8146",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - First-principles identification of C-methyl-scyllo-inositol (mytilitol) – A new species-specific metabolite indicator of geographic origin for marine bivalve molluscs (Mytilus and Ruditapes spp.)

AU - Aru, Violetta

AU - Motawie, Mohammed Saddik

AU - Khakimov, Bekzod

AU - Sørensen, Klavs Martin

AU - Møller, Birger Lindberg

AU - Engelsen, Søren Balling

PY - 2020

Y1 - 2020

N2 - This study presents a level-1 identification of the seven carbon (7-C) sugar C-methyl-scyllo-inositol (mytilitol) in mussels and clams (Mytilus and Ruditapes spp., respectively) purchased in Denmark and Italy. For each sample, the hydrophilic extract of the soft tissue was analyzed by proton nuclear magnetic resonance (1H NMR) spectroscopy using a 600 MHz NMR spectrometer. A first tentative identification of mytilitol was carried out by computing a statistical total correlation spectroscopy (STOCY) analysis of the 1H NMR spectra, followed by a level-1 identification based on first-principles methods including chemical synthesis, structure elucidation and standard-addition experiments. Mytilitol was quantified in the 1H NMR spectra and its average relative concentration turned out to be significantly lower in clams than in mussels (p-value < 0.001), with Danish mussels having the highest mytilitol concentration. Principal component analysis (PCA) of the NMR dataset brought further evidence to a species-specific and geographic-dependent content of mytilitol in mussels and clams.

AB - This study presents a level-1 identification of the seven carbon (7-C) sugar C-methyl-scyllo-inositol (mytilitol) in mussels and clams (Mytilus and Ruditapes spp., respectively) purchased in Denmark and Italy. For each sample, the hydrophilic extract of the soft tissue was analyzed by proton nuclear magnetic resonance (1H NMR) spectroscopy using a 600 MHz NMR spectrometer. A first tentative identification of mytilitol was carried out by computing a statistical total correlation spectroscopy (STOCY) analysis of the 1H NMR spectra, followed by a level-1 identification based on first-principles methods including chemical synthesis, structure elucidation and standard-addition experiments. Mytilitol was quantified in the 1H NMR spectra and its average relative concentration turned out to be significantly lower in clams than in mussels (p-value < 0.001), with Danish mussels having the highest mytilitol concentration. Principal component analysis (PCA) of the NMR dataset brought further evidence to a species-specific and geographic-dependent content of mytilitol in mussels and clams.

KW - Bivalve molluscs

KW - C-methyl-scyllo-inositol

KW - Foodome

KW - Metabolomics

KW - Mytilitol

KW - NMR spectroscopy

KW - Seafood

KW - Seven-carbon (7-C) sugar alcohols

U2 - 10.1016/j.foodchem.2020.126959

DO - 10.1016/j.foodchem.2020.126959

M3 - Journal article

C2 - 32474235

AN - SCOPUS:85085269250

VL - 328

JO - Food Chemistry

JF - Food Chemistry

SN - 0308-8146

M1 - 126959

ER -

ID: 242655651