Discovery-based analysis and quantification for comprehensive three-dimensional gas chromatography flame ionization detection data

Determination of the Signal-To-Noise Ratio Enhancement in Comprehensive Three-Dimensional Gas Chromatography

“…To date, interest in comprehensive 3D separations has focused on obtaining a high peak capacity and/or unique selectivity. ,, Herein, we provide evidence that these systems can also enhance the signal and the S/N. The enhancement is attributed not only to spatial and temporal peak compression but also to shifting the signal to a higher frequency domain where low-frequency noise is less detrimental.…”

“…The potential benefits of GC 3 are well supported by theory, , spurring development of other comprehensive 3D platforms, such as liquid chromatography (LC)×LC × capillary electrophoresis, spatial 3D-LC, , and LC×LC × ion mobility spectrometry . Recent GC 3 reports have investigated the attainable peak capacity and improved selectivity. ,,, However, the potential for GC 3 (and other 3D platforms) to provide signal enhancement ( SE ) and hence signal-to-noise ratio (S/N) enhancement vis-á-vis GC×GC and 1D-GC is relatively unexplored.…”

“…Comprehensive two-dimensional gas chromatography (GC×GC) is becoming a mature technique for the analysis of volatile and semivolatile compounds. − While new instrumental developments are being reported, the bulk of recent research has shifted to developing data analysis tools , and exploring new applications, often with a focus on sample preparation . Three key benefits motivate the usage of GC×GC over one-dimensional-GC (1D-GC): ∼10-fold higher peak capacity, chemical class structured separations, and increased detectability from modulation. − Despite the excellent separation performance provided by GC×GC, many samples are of such complexity that the peak capacity is often insufficient. , One intriguing solution is the addition of a third dimension ( 3 D) to a GC×GC system, that is, comprehensive three-dimensional (3D) gas chromatography (GC 3 ), − configured by sampling the 2 D peaks by a second modulator interfaced to a 3 D column of unique selectivity. The potential benefits of GC 3 are well supported by theory, , spurring development of other comprehensive 3D platforms, such as liquid chromatography (LC)×LC × capillary electrophoresis, spatial 3D-LC, , and LC×LC × ion mobility spectrometry .…”

30th Anniversary of comprehensive two‐dimensional gas chromatography: Latest advances

“…Practically, after using the F‐ratio software enabling the location of the spiked analytes, the authors applied an in‐house written S‐ratio algorithm that provides relative quantification and peak purity for each hit compound. Nevertheless, the interpretation and quantification of peak overlapping in the 3D separation plane required the use of parallel factor analysis as decomposition tool 39 . In order to tackle this bottleneck, a more automatable approach was proposed and used to process 2D chromatographic data, consisting in the isolation of pure m/z combining the measure of lack of fit metric (for peak purity), F‐ratio, and P ‐values; therefore avoiding the need for signal decomposition algorithm 40 …”

Chromatographic Applications in the Multi-Way Calibration Field

“…In recent years, the following works may be mentioned: (1) the study of the influence of the column selection and modulation period in the trilinear deviation ratio (TDR) range and, consequently, in the correct PARAFAC deconvolution [30]; (2) the use of a pulse flow valve for an ultra-fast modulation period and an innovative data processing method coupled with MCR-ALS deconvolution [96]; and (3) the advantages of partial modulation in the negative pulse mode [97]. In addition, valuable improvements to comprehensive GC 3 -FID detection have been achieved by the same research group [98,99].…”