Molecular identification of wines using in situ liquid SIMS and PCA analysis

Cuixia Cheng; Yadong Zhou; Holden M Nelson; Tasneem Ahmadullah; Hailan Piao; Zhaoying Wang; Wenxiao Guo; Jun-Gang Wang; Guosong Lai; Zihua Zhu

doi:10.3389/fchem.2023.1124229

Molecular identification of wines using in situ liquid SIMS and PCA analysis

Front Chem. 2023 Feb 27:11:1124229. doi: 10.3389/fchem.2023.1124229. eCollection 2023.

Authors

Cuixia Cheng^{1

2}, Yadong Zhou^{2

3}, Holden M Nelson^{2

4}, Tasneem Ahmadullah², Hailan Piao⁵, Zhaoying Wang⁶, Wenxiao Guo², Jun-Gang Wang^{2

7}, Guosong Lai¹, Zihua Zhu²

Affiliations

¹ Hubei Key Laboratory of Pollutant Analysis and Reuse Technology, College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi, Hubei, China.
² Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland, WA, United States.
³ Key Laboratory of Geographic Information Science of the Ministry of Education, School of Geographic Sciences, East China Normal University, Shanghai, China.
⁴ Department of Chemical and Physical Sciences, Westfield State University, Westfield, MA, United States.
⁵ Wine Science Center, Washington State University, Richland, WA, United States.
⁶ Center for Imaging and Systems Biology, Minzu University of China, Beijing, China.
⁷ School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, China.

Abstract

Composition analysis in wine is gaining increasing attention because it can provide information about the wine quality, source, and nutrition. In this work, in situ liquid secondary ion mass spectrometry (SIMS) was applied to 14 representative wines, including six wines manufactured by a manufacturer in Washington State, United States, four Cabernet Sauvignon wines, and four Chardonnay wines from other different manufacturers and locations. In situ liquid SIMS has the unique advantage of simultaneously examining both organic and inorganic compositions from liquid samples. Principal component analysis (PCA) of SIMS spectra showed that red and white wines can be clearly differentiated according to their aromatic and oxygen-contained organic species. Furthermore, the identities of different wines, especially the same variety of wines, can be enforced with a combination of both organic and inorganic species. Meanwhile, in situ liquid SIMS is sample-friendly, so liquid samples can be directly analyzed without any prior sample dilution or separation. Taken together, we demonstrate the great potential of in situ liquid SIMS in applications related to the molecular investigation of various liquid samples in food science.

Keywords: in situ liquid SIMS; mass spectrometry; quality control; wine authentication; wine identification.

Grants and funding

This research was performed at the Environmental Molecular Sciences Laboratory (EMSL), a DOE Office of Science User Facility sponsored by the Biological and Environmental Research program under Contract No. DE-AC05-76RL01830. This work was partially supported by LDRD programs of the Earth and Biological Sciences Directorate (EBSD) in the Pacific Northwest National Laboratory (PNNL). CC, C. would like to acknowledge support from the Hubei Provincial Natural Science Foundation of China (2018CFC857) and Science and Technology Foundation for Excellent Creative Research Group of Hubei Provincial Department of Education (T201810). HN, H. would like to acknowledge that this work was also supported in part by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program, with additional funding provided by the Massachusetts State University Internship Incentive Program.