Analysis of the volatile chemical constituents in Mindium laevigatum by gas chromatography — Mass spectrometry and correlative chemometric resolution methods

Investigation of fragrance stability used in the formulation of cosmetic and hygienic products using headspace solid-phase microextraction by nanostructured materials followed by gas chromatography with mass spectrometry

“…According to singular value decomposition and morphological score analysis this peak cluster consists of two overlapping peaks. Usually curve resolution techniques are used to solve this type of problem and to extract maximum information from a GC–MS dataset . This peak cluster, a two‐component system, was therefore analyzed by curve resolution methods to obtain pure chromatograms and mass spectra.…”

Chemometric resolution techniques combined with GC-MS to enhance determination of the volatile chemical constituents of bay leaves

“…Its sum, which is called the overall volume integration (OVI) is directly proportional to the concentration of the constituents. 15,16 The reason for using this method in this work was the unavailability of many standards for the EO Fig. 6 The resolved concentration profiles of peak cluster A.…”

“…The method of MCR-ALS (multivariate curve resolutionalternation least square) was used in the present contribution as a powerful chemometric technique for the mathematical resolution of chromatographic and spectral proles of pure constituents of bay leaves EO. 16 In this study, other associated methods such as morphological score, orthogonal projection approach (OPA), evolving factor analysis (EFA), simple-to-use interactive self-modeling mixture analysis (SIMPLISMA) and xed size moving window-evolving factor analysis (FSMW-EFA) have been applied to provide more information for chemical analysis both in chromatographic separations and in spectral identication. [17][18][19][20][21] 2 Experimental and methodology…”

Chemometric Resolution Approaches in Characterisation of Volatile Constituents inPlantago ovataSeeds using Gas Chromatography-Mass Spectrometry: Methodology and Performance Assessment

“…The main goal of the multivariate curve resolution (MCR) method as an iterative method is obtaining maximum information from multivariate data. Multivariate curve resolution is a type of second‐order decomposition, described as a group of techniques that can estimate pure component profiles of mixed signals (Tauler, ; Tauler et al ., 1993, 1995; Jalali‐Heravi et al ., 2006, 2007; Wang et al ., ; Masoum et al ., 2013a,b). These previous results demonstrated that GC–MS combined with chemometric resolution methods greatly enhance the capability of separation and the reliability of qualitative and quantitative results.…”