Evaluation of comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry for the diagnosis of inherited metabolic disorders using an automated data processing strategy.

Organic acidurias are a large group of inherited metabolic disorders (IMDs), commonly diagnosed by GC-MS analysis of organic acids in urine after acidic extraction and trimethylsilylation. In this study, a GC×GC-ToF-MS method has been optimized for the analysis of pathological metabolites in urine. An automated data processing strategy based on the use of mass spectra and GC retention times for the target search and quantification of pathological metabolites has been developed.

Characterization of the volatile fraction emitted by Pinus spp. by one- and two-dimensional chromatographic techniques with mass spectrometric detection.

The chemical composition of the needles of P. pinea, P. pinaster, P.

Alternative GC-MS approaches in the analysis of substituted pyrazines and other volatile aromatic compounds formed during Maillard reaction in potato chips.

Several methods have been developed for the analysis of substituted pyrazines and related substances in potato chips. Following separation/detection approaches (all employing head-space solid phase microextraction, HS-SPME, for volatiles sampling), have been critically assessed in our study: (i) gas chromatography-ion trap mass spectrometry (GC-ITMS), (ii) gas chromatography-time-of-flight mass spectrometry (GC-TOFMS); (iii) comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC x GC-TOFMS). Although in none of the tested systems full chromatographic resolution of some isomeric pairs could be achieved, the use of GC x GC-TOFMS offered the best solution, mainly because of distinctly lower limits of quantification (LOQs) for all of 13 target alkylpyrazines.

Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability.

The establishment of the monoterpenoid profile of Vitis vinifera L. cv. 'Fernão-Pires' white grape was achieved by headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GCxGC-ToF-MS).

Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: metabolomic analysis of mouse tissue extracts.

The potential for the utilization of GC x GC-time-of-flight (TOF) MS for high-resolution metabolomics studies is discussed, with the implementation of some statistical comparisons for biomarker detection. Metabolite profiles from NZO obese mice versus BL/6 control mice are compared and contrasted using a number of chromatogram comparison routines, including direct chromatogram comparisons, chromatogram subtraction and averaging routines, as well as a method for generating relative weighted peak surface difference chromatograms, and a more conventional Student's t-test statistical approach.

Evaluation of two-dimensional gas chromatography-time-of-flight mass spectrometry for the determination of multiple pesticide residues in fruit.

In recent years, comprehensive two-dimensional gas chromatography (GC x GC) has attained increasing attention for its outstanding separation potential and capability to solve demanding analytical tasks. Trace level analysis of pesticides residues in complex food matrices represents such a demanding task. For some commodities, such as baby food, the requirements on method detection limits are very strict and the unambiguous confirmation of the pesticide presence based on mass spectrometric detection is required.

Matrix effects in (ultra)trace analysis of pesticide residues in food and biotic matrices.

If one has to determine multiple residues of modem pesticides and/or other groups of (semi)polar and/or thermally unstable contaminants with a wide range of physico-chemical properties within a single analytical run, it can be complicated to obtain low limits of quantitation (LOQ), good precision as well as relevant trueness of results for all the target analytes. Matrix components, which are unavoidably present in analyzed samples (even after the thorough clean-up step), may be responsible for miscellaneous adverse affects impairing different stages of the GC and/or LC determinative step. In this review, the nature of various types of matrix effects are discussed together with suggestions for prevention, reduction and/or compensation of their occurrence when determining troublesome analytes in foods and other complex biotic matrices.

Determination of seventeen polar/thermolabile pesticides in apples and apricots by liquid chromatography/mass spectrometry.

A simple liquid chromatography/mass spectrometry (LC/MS) approach for the determination of widely used representatives of polar/thermolabile pesticides in fruits was developed and validated. The group of pesticides comprised benzimidazoles and azoles (carbendazim, thiabendazole, imazalil, propiconazole, prochloraz, epoxiconazole, flusilazole, tebuconazole, bitertanol); N-methylcarbamates (carbaryl, carbofuran, methiocarb); and phenylureas and benzoylphenylureas (linuron, diflubenzuron, triflumuron, teflubenzuron, flufenoxuron). Matrixes (apple, apricot) were extracted with acetonitrile and crude extracts were cleaned up by solid-phase extraction (SPE) using either mixed cation exchange or hydrophilic lipophilic balance cartridges.

Alternative calibration approaches to compensate the effect of co-extracted matrix components in liquid chromatography-electrospray ionisation tandem mass spectrometry analysis of pesticide residues in plant materials.

The aim of this study was to evaluate the applicability of different calibration approaches in a multi- and single-residue analysis of modern pesticides in plant matrices using liquid chromatography-electrospray mass spectrometry (HPLC-ESI-MS). In the first set of experiments the determination of eight pesticides representing different groups of polar/unstable pesticides (carbamates, benzimidazoles, azoles, benzoylphenylurea) in apple samples was performed. The trueness and precision of data obtained by using: (i) external solvent standard calibration, (ii) external matrix-matched standard calibration and (iii) echo-peak internal standard calibration was compared.