| Title: | Validation Study on the Simultaneous Quantitation of Multiple Wine Aroma Compounds with Static Headspace-Gas Chromatography-Ion Mobility Spectrometry |
| Author(s): | Zhu W; Benkwitz F; Sarmadi B; Kilmartin PA; |
| Address: | "Wine Science Programme, The University of Auckland, Private Bag 92019, Auckland 1142, New Zealand. Kim Crawford Winery, Constellation Brands NZ, 237 Hammerichs Road, Blenheim 7273, New Zealand" |
| ISSN/ISBN: | 1520-5118 (Electronic) 0021-8561 (Linking) |
| Abstract: | "A new quantitative method based on static headspace-gas chromatography-ion mobility spectrometry (SHS-GC-IMS) is proposed, which enables the simultaneous quantitation of multiple aroma compounds in wine. The method was first evaluated for its stability and the necessity of using internal standards as a quality control measure. The two major hurdles in applying GC-IMS in quantitation studies, namely, nonlinearity and multiple ion species, were also investigated using the Boltzmann function and generalized additive model (GAM) as potential solutions. Metrics characterizing the model performance, including root mean squared error, bias, limit of detection, limit of quantitation, repeatability, reproducibility, and recovery, were investigated. Both nonlinear fitting methods, Boltzmann function and GAM, were able to return desirable analytical outcomes with an acceptable range of error. Potential pitfalls that would cause inaccurate quantitation, that is, effects of ethanol content and competitive ionization, were also discussed. The performance of the SHS-GC-IMS method was subsequently compared against that of a currently established method, namely, GC-MS, using commercial wine samples. These findings provide an initial validation of a GC-IMS-based quantitation method, as well as a starting point for further enhancing the analytical scope of GC-IMS" |
| Keywords: | Gas Chromatography-Mass Spectrometry Ion Mobility Spectrometry Odorants/analysis Reproducibility of Results *Volatile Organic Compounds/analysis *Wine/analysis method comparison method development and validation quantitative analysis static headspace-gas; |
| Notes: | "MedlineZhu, Wenyao Benkwitz, Frank Sarmadi, Bahareh Kilmartin, Paul A eng 2021/12/08 J Agric Food Chem. 2021 Dec 15; 69(49):15020-15035. doi: 10.1021/acs.jafc.1c06411. Epub 2021 Dec 7" |
