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

Autor(es)

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

• Tipo de documento: Artigo Científico
• Fonte: Analytica Chimica Acta; v. 1331, p. 29-pg., 2024-12-01.

Resumo

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)

• Processo FAPESP: 21/11685-0 - Estudo ionômico e proteômico em soja transgênica e não-transgênica cultivadas em solos dopados com mercúrio na presença de nanopartículas de silício como agente remediador da contaminação por metal tóxico
• Beneficiário: Vinnícius Henrique Cerqueira da Silva
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 19/24445-8 - EMU concedido no processo 2018/25207-0: espectrômetro de massas com plasma indutivamente acoplado
• Beneficiário: Marco Aurelio Zezzi Arruda
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 18/25207-0 - Nanometalômica aplicada ao cultivo da soja para estudar os efeitos das nanopartículas relacionadas a metal
• Beneficiário: Marco Aurelio Zezzi Arruda
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 14/50867-3 - INCT 2014: Instituto Nacional de Ciência e Tecnologia de Bioanalítica
• Beneficiário: Marco Aurelio Zezzi Arruda
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 20/08543-7 - Um kit de ferramentas especiômicas para investigar alterações mediadas por ácidos graxos na especiação plasmática de zinco e seus efeitos fisiológicos
• Beneficiário: Marco Aurelio Zezzi Arruda
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 21/15218-8 - Nanometalômica aplicada ao cultivo da soja
• Beneficiário: Lilian Seiko Kato
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado