Multimodal chemical speciation techniques based on simultaneous high resolution molecular/atomic mass spectrometry applied to online target/ non-target analysis: A tutorial review

Author(s)

Kato, Lilian Seiko ; da Silva, Vinnicius Henrique Cerqueira ; de Andrade, Diego Campaci ; Cruz, Guilherme ; Pedrobom, Jorge Henrique ; Raab, Andrea ; Feldmann, Jorg ; Arruda, Marco Aurelio Zezzi

• Document type: Journal article
• Source: Analytica Chimica Acta; v. 1331, p. 29-pg., 2024-12-01.

Abstract

Background: If identifying target species is challenging regarding chemical speciation, non-target species present even more significant difficulties. Thus, to improve the performance of the methods, multimodal online coupling involving atomic and molecular mass spectrometry (LC-ICP-MS-ESI-HRMS) is an advance in this direction. Then, this kind of coupling is highlighted in this Tutorial Review, as well as some references emphasizing its potentialities and possible limitations. Some crucial definitions of speciomics, chemical speciation, and others are also included. Results: The main parameters that influence the coupling of an inductively coupled plasma mass spectrometer with a high-resolution mass spectrometer through a chromatographic system are critically commented on, and a diversity of results is demonstrated by using a turtle liver (Caretta caretta) as a model sample. The parameters were discussed in detail in a step-by-step manner: ICP-MS/MS acquisition modes and instrumental parameters, HRMS acquisition modes and instrumental parameters, and data processing strategies (Full MS - Top N, All Ion Fragmentation - AIF, Parallel Reaction Monitoring - PRM). Additionally, this Tutorial Review also demonstrates a diversity of results through target and non-target analysis. Significance: Constituting a guide for those who are interested in a non-targeted analysis of molecular nonvolatile/semi-volatile compounds, this Tutorial Review presents trans and multidisciplinary proposals for those communities involving chemistry, biochemistry, medicine, biology, environmental, pharmaceutical, food safety, and omics, among others, where metal (also metalloids or semi-metals and non-metals or heteroatoms) and molecular species are necessary for a good understanding of the studied system. This kind of coupling also allows the discovery of novel biological active elemental species in diverse matrices. (AU)

• FAPESP's process: 21/11685-0 - Ionomic and proteomic study in transgenic and non-transgenic soyebans grown in mercury doped soils in the presence of silicon nanoparticles as a remedial agent for toxic metal contamination
• Grantee: Vinnícius Henrique Cerqueira da Silva
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 19/24445-8 - EMU granted in process 2018/25207-0: inductively coupled plasma mass spectrometer
• Grantee: Marco Aurelio Zezzi Arruda
• Support Opportunities: Multi-user Equipment Program
• FAPESP's process: 18/25207-0 - Nanometallomics applied to soybean cultivation for studying the effects of metal-related nanoparticles
• Grantee: Marco Aurelio Zezzi Arruda
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 14/50867-3 - INCT 2014: National Institute of Science and Technology in Bioanalysis
• Grantee: Marco Aurelio Zezzi Arruda
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 20/08543-7 - A speciomic toolkit to investigate fatty acid-mediated changes in plasma zinc speciation and their physiological effects
• Grantee: Marco Aurelio Zezzi Arruda
• Support Opportunities: Regular Research Grants
• FAPESP's process: 21/15218-8 - Nanometallomics applied to soybean cultivation
• Grantee: Lilian Seiko Kato
• Support Opportunities: Scholarships in Brazil - Post-Doctoral