Assessment of Beeswax Adulteration by Paraffin and Stearic Acid Using ATR-IR Spectroscopy and Multivariate Statistics-An Analytical Method to Detect Fraud.

A spectroscopic investigation of beeswax adulteration by paraffin and/or stearic acid was undertaken via Attenuated Total Reflectance Infra-Red spectroscopy (ATR-IR) combined with multivariate statistical analyses. Principal Component Analysis (PCA) was successfully applied for the first time as an exploratory tool for the differentiation among pure beeswax and adulterated beeswax by paraffin and stearic acid with detection limits (LOD) of ~5% and 1%, respectively. Partial Least Square (PLS) modelling was used to build chemometric models based on beeswax/paraffin and beeswax/stearic acid calibration mixtures and subsequently used to predict concentrations of paraffin and stearic acid on a set of unknown test samples.

An assessment of the impact of extraction and digestion protocols on multiplexed targeted protein quantification by mass spectrometry for egg and milk allergens.

The unintentional presence of even trace amounts of certain foods constitutes a major hazard for those who suffer from food allergies. For many food industries, product and raw ingredient surveillance forms part of their risk assessment procedures. This may require the detection of multiple allergens in a wide variety of matrices.

Chemometric approach for discriminating tobacco trademarks by near infrared spectroscopy.

Cigarettes are consumer products with a broad market-driven orientation. In order to satisfy the different needs of smokers, cigarette trademarks with different aroma, taste and appearance are available on the market. In this study near infrared (NIR) spectroscopy in combination with chemometrics was applied in order to distinguish cigarette trademarks by analysing the tobacco.

Spectroscopy applied to feed additives of the European Union Reference Laboratory: a valuable tool for traceability.

Feed additives need to be authorised to be placed on the market according to Regulation (EU) No. 1831/2003. Next to laying down the procedural requirements, the regulation creates the European Union Reference Laboratory for Feed Additives (EURL-FA) and requires that applicants send samples to the EURL-FA.

Quantitative Analysis of Bioactive Compounds from Aromatic Plants by Means of Dynamic Headspace Extraction and Multiple Headspace Extraction-Gas Chromatography-Mass Spectrometry.

Seven monoterpenes in 4 aromatic plants (sage, cardamom, lavender, and rosemary) were quantified in liquid extracts and directly in solid samples by means of dynamic headspace-gas chromatography-mass spectrometry (DHS-GC-MS) and multiple headspace extraction-gas chromatography-mass spectrometry (MHSE), respectively. The monoterpenes were 1st extracted by means of supercritical fluid extraction (SFE) and analyzed by an optimized DHS-GC-MS. The optimization of the dynamic extraction step and the desorption/cryo-focusing step were tackled independently by experimental design assays.

Differentiation of coccidiostats-containing feed additives by mid and near infrared microscopy.

Coccidiostats belong to the group of feed additives authorised within the European Union exclusively for specific preparations. These preparations not only contain one or more coccidiostats as active substance(s) but also various ingredients such as the carrier, which are included in the European legislation authorising the product. In order to allow the full traceability of the use of feed additives and to check for compliance with legal provisions, there is a strong need for analytical methods that enable the rapid characterisation of these products.

Identification and quantification of cannabinoids in Cannabis sativa L. plants by high performance liquid chromatography-mass spectrometry.

High performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS) has been successfully applied to cannabis plant extracts in order to identify cannabinoid compounds after their quantitative isolation by means of supercritical fluid extraction (SFE). MS conditions were optimized by means of a central composite design (CCD) approach, and the analysis method was fully validated. Six major cannabinoids [tetrahydrocannabinolic acid (THCA), tetrahydrocannabinol (THC), cannabidiol (CBD), tetrahydrocannabivarin (THCV), cannabigerol (CBG), and cannabinol (CBN)] were quantified (RSD < 10%), and seven more cannabinoids were identified and verified by means of a liquid chromatograph coupled to a quadrupole-time-of-flight (Q-ToF) detector.

Resolution of co-eluting compounds of Cannabis Sativa in comprehensive two-dimensional gas chromatography/mass spectrometry detection with Multivariate Curve Resolution-Alternating Least Squares.

Comprehensive Two Dimensional Gas Chromatography - Mass Spectrometry (GC × GC/qMS) analysis of Cannabis sativa extracts shows a high complexity due to the large variety of terpenes and cannabinoids and to the fact that the complete resolution of the peaks is not straightforwardly achieved. In order to support the resolution of the co-eluted peaks in the sesquiterpene and the cannabinoid chromatographic region the combination of Multivariate Curve Resolution and Alternating Least Squares algorithms was satisfactorily applied. As a result, four co-eluting areas were totally resolved in the sesquiterpene region and one in the cannabinoid region in different samples of Cannabis sativa.

Optimisation and characterisation of marihuana extracts obtained by supercritical fluid extraction and focused ultrasound extraction and retention time locking GC-MS.

The optimisation of focused ultrasound extraction and supercritical fluid extraction of volatile oils and cannabinoids from marihuana has been accomplished by experimental design approach. On the one hand, the focused ultrasound extraction method of volatile compounds and cannabinoids was studied based on the optimisation of cyclohexane and isopropanol solvent mixtures, and the instrumental variables. The optimal working conditions were finally fixed at isopropanol/cyclohexane 1:1 mixture, cycles (3 s(-1)), amplitude (80%) and sonication time (5 min).

Optimization of comprehensive two-dimensional gas-chromatography (GC×GC) mass spectrometry for the determination of essential oils.

Comprehensive two-dimensional gas-chromatography (GC×GC) is a great tool to explore complex essential oils. In this work the different terpene composition of the aroma fraction of rosemary and oregano were studied. The present investigation is based on the optimization of the comprehensive two-dimensional gas-chromatographic method through the use of experimental designs and Multisimplex, and studying the modulation period, discharge-time and first and second column flows.