The Application of Metabonomics as an Early In Vivo Toxicity Screen

Stevens, Gregory J.; Deese, Alan; Robertson, Donald G.

doi:10.1201/b14117-9

Cited by 333 publications

(577 citation statements)

References 1 publication

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“…A partial least-squares discriminant analysis (PLS-DA, Eriksson et al, 2001) was performed to determine whether there were any differences in chemical exposure between men and women in the offices studied. In PLS-DA, vectors are constructed orthogonally to compare data in two categories, rather than showing the largest variation regardless of category, as is done by PCA.…”

Section: Methodsmentioning

confidence: 99%

Variability of personal chemical exposure in eight office buildings in Sweden

Glas

Levin

Stenberg

et al. 2004

J Expo Sci Environ Epidemiol

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This study focuses on the variability in chemical exposures for individuals working in office buildings. The study involved eight office buildings with 79 participants, and exposures were measured using personal samplers for volatile organic compounds, aldehydes, amines, nitrogen dioxide, ozone, and particles. Ventilation was assessed in each individual office. ''Variability among buildings'' and ''variability among individuals'' were evaluated for any component (of the 123) measured in samples from at least 20 persons, using variance component analysis and principal component analysis. Interpersonal differences explained the major part of the variance for 78% of the compounds versus between-buildings differences for 14% of the compounds. For 8% of compounds, the variation was explained in equal amounts by the differences among individuals and among buildings. This study illustrates the necessity for individualised measurements (versus stationary measurements in building) to estimate personal exposures. These results also support the conculsion that in case-referent studies of ''sick building syndrome'' (SBS), referents to SBS cases can be randomised for building location.

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Section: Methodsmentioning

confidence: 99%

Variability of personal chemical exposure in eight office buildings in Sweden

Glas

Levin

Stenberg

et al. 2004

J Expo Sci Environ Epidemiol

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“…The quantitative composition of the five different hydrocarbon fraction types was evaluated by PCA and PLS-DA by using the software program SIMCA-P 10.5 (Umetrics AB, Umeå, Sweden) Eriksson et al, 2001). PCA and PLS-DA were conducted as described in detail by Mumm et al (2004) to extract and display the systematic variation in the data set consisting of 48 different hydrocarbon peaks (Table 1) .…”

Section: Bioassay: Activity Of Hydrocarbon Fractionsmentioning

confidence: 99%

“…The ellipse shown in score plots defines the Hotelling's T 2 confidence region (95%). The number of significant principal components was determined by cross-validation Eriksson et al, 2001).…”

Section: Bioassay: Activity Of Hydrocarbon Fractionsmentioning

confidence: 99%

Courtship Pheromones in Parasitic Wasps: Comparison of Bioactive and Inactive Hydrocarbon Profiles by Multivariate Statistical Methods

2007

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Cuticular hydrocarbons play a significant role in the regulation of cuticular permeability and also in the chemical communication of insects. In the parasitoid Lariophagus distinguendus (Hymenoptera: Pteromalidae), male courtship behavior is mediated by a female-produced sex pheromone. Previous studies have shown that the chemicals involved are already present in the pupal stage of both males and females. However, pheromonal activity in males decreases shortly after emergence. This pheromonal deactivation occurs only in living males, suggesting an active process rather than simple evaporation of bioactive compounds. Here, we present evidence that the sex pheromone of L. distinguendus is composed of a series of cuticular hydrocarbons. Filter paper disks treated with nonpolar fractions of cuticular extracts of freshly emerged males and females, 72-hr-old females, and yellowish pupae caused arrestment and stimulated key elements of courtship behavior in males, whereas fractions of 72-hr-old males did not. Sixty-four hydrocarbons with chain length between C 25 and C 37 were identified in the fractions by gas chromatography-mass spectrometry (GC-MS). Methyl-branched alkanes with one to four methyl groups were major components, along with traces of n-alkanes and monoalkenes. Principal component analysis, based on the relative amounts of the compounds, revealed that cuticular hydrocarbon composition differed among all five groups. By using partial least squares-discriminant analysis, we determined a series of components that differentiate bioactive and bioinactive hydrocarbon profiles, and may be responsible for pheromonal activity of hydrocarbon fractions in L. distinguendus.

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“…Variables with a VIP value >1.5 were considered important in discriminating between groups (31) and were selected as the most relevant to explain the differences in metabolic profile. While a VIP >1 threshold is generally accepted (32)(33)(34), the cut-off applied in this study is more restrictive, reducing the possibility of obtaining false positive results.…”

Section: Exploratory Data Analysis and Orthogonal Signal Correction Pmentioning

confidence: 99%

Metabolomic Pattern Analysis after Mediterranean Diet Intervention in a Nondiabetic Population: A 1- and 3-Year Follow-up in the PREDIMED Study

et al. 2014

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The Mediterranean diet (MD) is considered a dietary pattern with beneficial effects on human health. The aim of this study was to assess the effect of an MD on urinary metabolome by comparing subjects at 1 and 3 years of follow-up, after an MD supplemented with either extra-virgin olive oil (MD+EVOO) or nuts (MD+Nuts), to those on advice to follow a control low-fat diet (LFD). Ninety-eight non-diabetic volunteers were evaluated, using metabolomic approaches, corresponding to MD+EVOO (n=41), MD+Nuts (n=27) or LFD (n=30) groups. The 1 H-NMR urinary profiles were examined at baseline, after 1 and 3 years of follow-up. Multivariate data analysis (OSC-PLS-DA and HCA) methods were used to identify the potential biomarker discriminating groups, exhibiting a urinary metabolome separation between MD groups against baseline and LFD. Results revealed that the most prominent hallmarks concerning MD groups were related to the metabolism of carbohydrates (3-hydroxybutyrate, citrate, cis-aconitate), creatine, creatinine, amino acids (proline, Nacetylglutamine, glycine, branched-chain amino acids and derived metabolites), lipids(oleic and suberic acids), and microbial co-metabolites (phenylacetylglutamine, pcresol). Otherwise, hippurate, trimethylamine-N-oxide, histidine and derivates (methylhistidines, carnosine, anserine) and xanthosine were predominant after LFD. The application of NMR-based metabolomics enabled the classification of individuals regarding their dietary pattern and highlights the potential of this approach for evaluating changes in the urinary metabolome at different time points of follow-up in response to specific dietary interventions.2

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The Application of Metabonomics as an Early In Vivo Toxicity Screen

Cited by 333 publications

References 1 publication

Variability of personal chemical exposure in eight office buildings in Sweden

Variability of personal chemical exposure in eight office buildings in Sweden

Courtship Pheromones in Parasitic Wasps: Comparison of Bioactive and Inactive Hydrocarbon Profiles by Multivariate Statistical Methods

Metabolomic Pattern Analysis after Mediterranean Diet Intervention in a Nondiabetic Population: A 1- and 3-Year Follow-up in the PREDIMED Study

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