Rapid discrimination of bergamot essential oil by paper spray mass spectrometry and chemometric analysis

Abstract

A novel approach for the rapid discrimination of bergamot essential oil from other citrus fruits oils is presented. The method was developed using paper spray mass spectrometry (PS-MS) allowing for a rapid molecular profiling coupled with a statistic tool for a precise and reliable discrimination between the bergamot complex matrix and other similar matrices, commonly used for its reconstitution. Ambient mass spectrometry possesses the ability to record mass spectra of ordinary samples, in their native environment, without sample preparation or pre-separation by creating ions outside the instrument. The present study reports a PS-MS method for the determination of oxygen heterocyclic compounds such as furocoumarins, psoralens and flavonoids present in the non-volatile fraction of citrus fruits essential oils followed by chemometric analysis. The volatile fraction of Bergamot is one of the most known and fashionable natural products, which found applications in flavoring industry as ingredient in beverages and flavored foodstuff. The development of the presented method employed bergamot, sweet orange, orange, cedar, grapefruit and mandarin essential oils. PS-MS measurements were carried out in full scan mode for a total run time of 2 min. The capability of PS-MS profiling to act as marker for the classification of bergamot essential oils was evaluated by using multivariate statistical analysis. Two pattern recognition techniques, linear discriminant analysis and soft independent modeling of class analogy, were applied to MS data. The cross-validation procedure has shown excellent results in terms of the prediction ability because both models have correctly classified all samples for each category. Copyright © 2016 John Wiley & Sons, Ltd.

In Vitro Anti-Inflammatory and Radical Scavenging Properties of Chinotto (Citrus myrtifolia Raf.) Essential Oils

“…These variations could be due to differences in ripening stage, genetic origins, or pedoclimatic conditions. In line with the previously mentioned close taxonomical relation between chinotto and bergamot ( Citrus bergamia Risso) [ 19 , 20 ], our results were comparable to the known distribution of volatile compounds in bergamot essential oil, comprising a relatively low amount of limonene (25–53%) and high percentages of linalool (2–20%), linalyl acetate (15–40%), and γ-terpinene [ 25 ]. Regarding individual components, limonene is by far the most abundant compound in CEO2 and CEO3 and these results can be associated with the corresponding radical scavenging activities, as limonene has been reported to exert strong DPPH• and poor ABTS• + scavenging abilities [ 58 ].…”

“…Next to this, the juice from unripe fruits is used as an ingredient of soft drinks and liqueurs [ 18 ]. Despite its many applications and its taxonomically close relationship to bergamot ( Citrus bergamia Risso) [ 19 , 20 ], whose beneficial effects on inflammation and inflammatory-related disorders are being recognized [ 21 , 22 , 23 , 24 , 25 , 26 , 27 ], there appear to be no documented studies on the potential anti-inflammatory properties of chinotto. Moreover, although the composition of different parts of the chinotto plant has been reported [ 18 , 28 , 29 , 30 , 31 ], including that of the essential oil of the peels [ 32 , 33 ], the effect of fruit maturation on the essential oil profile and on potential differences in bioactivity seems to be neglected thus far.…”

Discrimination of constructed air samples using multivariate analysis of full scan membrane introduction mass spectrometry (MIMS) data

“…20 These chemometric methods have been used to analyze mixture data collected by mass spectrometry for a variety of applications. [21][22][23][24][25][26] Since MIMS produces full scan spectra that are the superposition of spectra from individual compounds in a mixture, chemometric methods can, in principle, resolve both quantitative and qualitative problems. The use of chemometric methods to assist in the quantification of specific analytes (benzene, toluene, ethylbenzene, and xylenes (BTEX)) in combined standard solutions from electron ionization (EI) MIMS spectra has been discussed by Ohorodnik et al 27 and Gardner et al 28 As the quantification of analytes in complex mixtures from full scan MIMS spectra is based on differences in the pattern and intensity of analyte peaks in the mass spectra, it follows that chemometric analysis should also be able to qualitatively discriminate between classes of samples.…”

“…Multivariate curve resolution (MCR) focuses on resolving components (e.g., individual molecules or specific point sources and their contributions) from samples containing mixtures . These chemometric methods have been used to analyze mixture data collected by mass spectrometry for a variety of applications …”

Assay of lovastatin containing dietary supplement by LC‐MS/MS under MRM condition

“…Different approaches and sample preparation protocols are used; the assays are based on HPLC, gas chromatography, electrochemical analysis, and MS. [22][23][24][25][26][27][28][29][30][31][32][33][34] Mass spectrometry is a remarkably sensitive and specific analytical instrumentation that can both determine the structure and the amount of analytes within a sample. [35][36][37] In particular, electrospray ionization (ESI) MS is 1 of the most versatile ion sources used in a wide range of analytical applications; moreover, the MRM analysis mode is a targeted mass spectrometry approach that has being used for decades for accurate quantification of small molecules in complex matrices. [38][39][40] 2 | EXPERIMENTAL…”