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

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

doi:10.3389/fchem.2023.1124229

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

Journal Article · Mon Feb 27 04:00:00 UTC 2023 · Frontiers in Chemistry

DOI: https://doi.org/10.3389/fchem.2023.1124229 · OSTI ID:1969038

Cheng, Cuixia ^[1]; Zhou, Yadong ^[2]; Nelson, Holden M. ^[3]; Ahmadullah, Tasneem ^[4]; Piao, Hailan ^[5]; Wang, Zhaoying ^[6];

^[4]; Wang, Jun-Gang ^[7]; Lai, Guosong ^[8];

^[4]

Hubei Normal University (China); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL); East China Normal University (ECNU), Shanghai (China)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL); Westfield State University, MA (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Washington State University, Pullman, WA (United States)
Minzu University of China, Beijing (China)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL); Shanghai Institute of Technology (China)
Hubei Normal University (China)

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.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Laboratory Directed Research and Development (LDRD) Program; Hubei Provincial Natural Science Foundation of China; USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS); Massachusetts State University

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1969038

Report Number(s):: PNNL-SA-182032

Journal Information:: Frontiers in Chemistry, Journal Name: Frontiers in Chemistry Vol. 11; ISSN 2296-2646

Publisher:: Frontiers Research FoundationCopyright Statement

Country of Publication:: United States

Language:: English

References (40)

Rapid fingerprinting of red wines by MALDI mass spectrometry Carpentieri, Andrea; Marino, Gennaro; Amoresano, Angela Analytical and Bioanalytical Chemistry, Vol. 389, Issue 3 https://doi.org/10.1007/s00216-007-1476-8	journal	July 2007
A survey of phenolic compounds in Spanish wines of different geographical origin Peña-Neira, A.; Hernández, T.; García-Vallejo, C. European Food Research and Technology, Vol. 210, Issue 6 https://doi.org/10.1007/s002170050579	journal	April 2000
Implications of new research and technologies for malolactic fermentation in wine Sumby, Krista M.; Grbin, Paul R.; Jiranek, Vladimir Applied Microbiology and Biotechnology, Vol. 98, Issue 19 https://doi.org/10.1007/s00253-014-5976-0	journal	August 2014
Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis Zhou, Yufan; Yao, Juan; Ding, Yuanzhao Journal of The American Society for Mass Spectrometry, Vol. 27, Issue 12 https://doi.org/10.1007/s13361-016-1478-x	journal	September 2016
Multivariate Analysis of ToF-SIMS Data from Multicomponent Systems: The Why, When, and How Graham, Daniel J.; Castner, David G. Biointerphases, Vol. 7, Issue 1 https://doi.org/10.1007/s13758-012-0049-3	journal	December 2012
On the mechanism of antithrombotic action of flavonoids Gryglewski, Ryszard J.; Korbut, Ryszard; Robak, Jadwiga Biochemical Pharmacology, Vol. 36, Issue 3 https://doi.org/10.1016/0006-2952(87)90288-7	journal	February 1987
Inhibition of oxidation of human low-density lipoprotein by phenolic substances in red wine Frankel, E. N.; German, J. B.; Kinsella, J. E. The Lancet, Vol. 341, Issue 8843 https://doi.org/10.1016/0140-6736(93)90206-v	journal	February 1993
Analysis of phenolic constituents of biological interest in red wines by high-performance liquid chromatography López, M.; Martı́nez, F.; Del Valle, C. Journal of Chromatography A, Vol. 922, Issue 1-2 https://doi.org/10.1016/S0021-9673(01)00913-X	journal	July 2001
Relationship between polyphenolic composition and some sensory properties in red wines using multiway analyses Preys, S.; Mazerolles, G.; Courcoux, P. Analytica Chimica Acta, Vol. 563, Issue 1-2 https://doi.org/10.1016/j.aca.2005.10.082	journal	March 2006
Direct determination of organic acids in wine and wine-derived products by Fourier transform infrared (FT-IR) spectroscopy and chemometric techniques Regmi, U.; Palma, M.; Barroso, C. G. Analytica Chimica Acta, Vol. 732 https://doi.org/10.1016/j.aca.2011.11.009	journal	June 2012
Analytical techniques for wine analysis: An African perspective; a review de Villiers, André; Alberts, Phillipus; Tredoux, Andreas G. J. Analytica Chimica Acta, Vol. 730 https://doi.org/10.1016/j.aca.2011.11.064	journal	June 2012
Addition of amino acids to grape juice of the Merlot variety: Effect on amino acid uptake and aroma generation during alcoholic fermentation Hernández-Orte, P.; Ibarz, M. J.; Cacho, J. Food Chemistry, Vol. 98, Issue 2 https://doi.org/10.1016/j.foodchem.2005.05.073	journal	January 2006
Varietal discrimination of Chilean wines by direct injection mass spectrometry analysis combined with multivariate statistics Villagra, Evelyn; Santos, Leonardo S.; Vaz, Boniek Gontijo Food Chemistry, Vol. 131, Issue 2 https://doi.org/10.1016/j.foodchem.2011.08.078	journal	March 2012
A novel strategy to determine the compositions of inorganic elements in fruit wines using ICP-MS/MS Fu, Liang; Shi, Shuyun Food Chemistry, Vol. 299 https://doi.org/10.1016/j.foodchem.2019.125172	journal	November 2019
Flavour characterization of red wines by descriptive analysis and ESI mass spectrometry Biasoto, Aline C. T.; Catharino, Rodrigo R.; Sanvido, Gustavo B. Food Quality and Preference, Vol. 21, Issue 7 https://doi.org/10.1016/j.foodqual.2010.07.005	journal	October 2010
Anthocyanin, phenolic composition, colour measurement and sensory analysis of BC commercial red wines Cliff, Margaret A.; King, Marjoire C.; Schlosser, Jimmy Food Research International, Vol. 40, Issue 1 https://doi.org/10.1016/j.foodres.2006.08.002	journal	January 2007
Determination of phenolic composition and antioxidant capacity of native red wines by high performance liquid chromatography and spectrophotometric methods Porgalı, Esra; Büyüktuncel, Ebru Food Research International, Vol. 45, Issue 1 https://doi.org/10.1016/j.foodres.2011.10.025	journal	January 2012
Rivers turned to rock: Late Quaternary alluvial induration influencing the behaviour and morphology of an anabranching river in the Australian monsoon tropics Nanson, Gerald C.; Jones, Brian G.; Price, David M. Geomorphology, Vol. 70, Issue 3-4 https://doi.org/10.1016/j.geomorph.2005.02.015	journal	September 2005
Direct wine profiling by mass spectrometry (MS): A comparison of different ambient MS approaches Bartella, Lucia; Bouza, Marcos; Rocío-Bautista, Priscilla Microchemical Journal, Vol. 179 https://doi.org/10.1016/j.microc.2022.107479	journal	August 2022
Determination and identification of organic acids in wine samples. Problems and challenges Robles, Alicia; Fabjanowicz, Magdalena; Chmiel, Tomasz TrAC Trends in Analytical Chemistry, Vol. 120 https://doi.org/10.1016/j.trac.2019.115630	journal	November 2019
Biosensors for determination of total and natural antioxidant capacity of red and white wines: comparison with other spectrophotometric and fluorimetric methods Campanella, L.; Bonanni, A.; Finotti, E. Biosensors and Bioelectronics, Vol. 19, Issue 7 https://doi.org/10.1016/s0956-5663(03)00276-8	journal	February 2004
In Situ Molecular Imaging of the Biofilm and Its Matrix Ding, Yuanzhao; Zhou, Yufan; Yao, Juan Analytical Chemistry, Vol. 88, Issue 22 https://doi.org/10.1021/acs.analchem.6b03909	journal	October 2016
Investigation of Ion–Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS Zhang, Yanyan; Su, Mao; Yu, Xiaofei Analytical Chemistry, Vol. 90, Issue 5 https://doi.org/10.1021/acs.analchem.7b04921	journal	February 2018
In Situ Liquid Secondary Ion Mass Spectrometry: A Surprisingly Soft Ionization Process for Investigation of Halide Ion Hydration Zhang, Yanyan; Zeng, Wenjuan; Huang, Liuqin Analytical Chemistry, Vol. 91, Issue 11 https://doi.org/10.1021/acs.analchem.8b05804	journal	April 2019
Evolution of aqSOA from the Air–Liquid Interfacial Photochemistry of Glyoxal and Hydroxyl Radicals Zhang, Fei; Yu, Xiaofei; Sui, Xiao Environmental Science & Technology, Vol. 53, Issue 17 https://doi.org/10.1021/acs.est.9b03642	journal	July 2019
In Situ Mass Spectrometric Determination of Molecular Structural Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries Zhu, Zihua; Zhou, Yufan; Yan, Pengfei Nano Letters, Vol. 15, Issue 9 https://doi.org/10.1021/acs.nanolett.5b02479	journal	August 2015
Electrostatic Spray Ionization-Mass Spectrometry for Direct and Fast Wine Characterization Bi, Hongyan; Xi, Minjie; Zhang, Rutan ACS Omega, Vol. 3, Issue 12 https://doi.org/10.1021/acsomega.8b02259	journal	December 2018
Electrospray Ionization Fourier Transform Mass Spectrometric Analysis of Wine Cooper, Helen J.; Marshall, Alan G. Journal of Agricultural and Food Chemistry, Vol. 49, Issue 12 https://doi.org/10.1021/jf0108516	journal	December 2001
Multielement Analysis of Canadian Wines by Inductively Coupled Plasma Mass Spectrometry (ICP-MS) and Multivariate Statistics Taylor, Vivien F.; Longerich, Henry P.; Greenough, John D. Journal of Agricultural and Food Chemistry, Vol. 51, Issue 4 https://doi.org/10.1021/jf025761v	journal	January 2003
Analysis of Grape and Wine Anthocyanins by HPLC-MS García-Beneytez, Eva; Cabello, Félix; Revilla, Eugenio Journal of Agricultural and Food Chemistry, Vol. 51, Issue 19 https://doi.org/10.1021/jf0302207	journal	August 2003
Characterization and Comparison of Wine Lees by Liquid Chromatography–Mass Spectrometry in High-Resolution Mode Delgado de la Torre, M. P.; Priego-Capote, F.; Luque de Castro, M. D. Journal of Agricultural and Food Chemistry, Vol. 63, Issue 4 https://doi.org/10.1021/jf505331f	journal	January 2015
Study of Wine Tannin Oligomers by On-Line Liquid Chromatography Electrospray Ionization Mass Spectrometry Fulcrand, Hélène; Remy, Sophie; Souquet, Jean-Marc Journal of Agricultural and Food Chemistry, Vol. 47, Issue 3 https://doi.org/10.1021/jf9805496	journal	February 1999
Molecular evidence of a toxic effect on a biofilm and its matrix Ding, Yuanzhao; Zhou, Yufan; Yao, Juan The Analyst, Vol. 144, Issue 8 https://doi.org/10.1039/c8an02512f	journal	January 2019
Determination of trace elements in undiluted wine samples using an automatized total sample consumption system coupled to ICP-MS Cerutti, Claudia; Sánchez, Carlos; Sánchez, Raquel Journal of Analytical Atomic Spectrometry, Vol. 34, Issue 4 https://doi.org/10.1039/c8ja00391b	journal	January 2019
Correlative surface imaging reveals chemical signatures for bacterial hotspots on plant roots Liu, Wen; Huang, Liuqin; Komorek, Rachel The Analyst, Vol. 145, Issue 2 https://doi.org/10.1039/c9an01954e	journal	January 2020
Anthocyanidins and anthocyanins: colored pigments as food, pharmaceutical ingredients, and the potential health benefits Khoo, Hock Eng; Azlan, Azrina; Tang, Sou Teng Food & Nutrition Research, Vol. 61, Issue 1 https://doi.org/10.1080/16546628.2017.1361779	journal	January 2017
Analytical Chemistry: Unlocking the Secrets of wine Flavor Ebeler, Susan E. Food Reviews International, Vol. 17, Issue 1 https://doi.org/10.1081/Fri-100000517	journal	March 2001
Recent Applications of Mass Spectrometry in the Study of Grape and Wine Polyphenols Flamini, Riccardo ISRN Spectroscopy, Vol. 2013 https://doi.org/10.1155/2013/813563	journal	January 2013
A Metagenomic-Based Approach for the Characterization of Bacterial Diversity Associated with Spontaneous Malolactic Fermentations in Wine Berbegal, Carmen; Borruso, Luigimaria; Fragasso, Mariagiovanna International Journal of Molecular Sciences, Vol. 20, Issue 16 https://doi.org/10.3390/ijms20163980	journal	August 2019
Dibasic Ammonium Phosphate Application Enhances Aromatic Compound Concentration in Bog Bilberry Syrup Wine Wang, Shao-Yang; Li, Yi-Qing; Li, Teng Molecules, Vol. 22, Issue 1 https://doi.org/10.3390/molecules22010052	journal	December 2016

Similar Records

Generating Novel Aroma Phenotypes Using Commercial Wine Samples to Characterize an F1 Population

Journal Article · Tue Jun 21 04:00:00 UTC 2022 · Frontiers in Plant Science · OSTI ID:2471385

Awale, Mani; Liu, Connie; Kwasniewski, Misha T.

Atmospheric Particulate Characterization by ToF-SIMS in an Urban Site in Beijing

Journal Article · Wed Jan 01 04:00:00 UTC 2020 · Atmospheric Environment · OSTI ID:1574881

Zhao, Yao; Huang, Hongyi; Zhang, Yanyan; +7 more

ToF-SIMS characterization of glyoxal surface oxidation products by hydrogen peroxide: A comparison between dry and liquid samples

Journal Article · Mon Oct 01 04:00:00 UTC 2018 · Surface and Interface Analysis · OSTI ID:1773358

Sui, Xiao; Zhou, Yufan; Zhang, Fei; +4 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
in situ liquid SIMS
mass spectrometry
quality control
wine authentication
wine identification

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

Citation Formats

References (40)

Similar Records

Related Subjects