PMID- 37521638
OWN - NLM
STAT- Publisher
LR  - 20230801
IS  - 2470-1343 (Electronic)
IS  - 2470-1343 (Linking)
VI  - 8
IP  - 29
DP  - 2023 Jul 25
TI  - Pesticide Residue Fast Screening Using Thermal Desorption Multi-Scheme Chemical 
      Ionization Mass Spectrometry (TD-MION MS) with Selective Chemical Ionization.
PG  - 25749-25757
LID - 10.1021/acsomega.3c00385 [doi]
AB  - In this work, the detection characteristics of a large group of common pesticides 
      were investigated using a multi-scheme chemical ionization inlet (MION) with a 
      thermal desorption unit (Karsa Ltd.) connected to an Orbitrap (Velos Pro, Thermo 
      Fisher Scientific) mass spectrometer. Standard pesticide mixtures, fruit 
      extracts, untreated fruit juice, and whole fruit samples were inspected. The 
      pesticide mixtures contained 1 ng of each individual target. Altogether, 115 
      pesticides were detected, with a set of different reagents (i.e., dibromomethane, 
      acetonylacetone, and water) in different polarity modes. The measurement 
      methodology presented was developed to minimize the common bottlenecks 
      originating from sample pretreatments and nonetheless was able to retrieve 92% of 
      the most common pesticides regularly analyzed with standardized UHPLC-MSMS 
      (ultra-high-performance liquid chromatography with tandem mass spectrometry) 
      procedures. The fraction of detected targets of two standard pesticide mixtures 
      generally quantified by GC-MSMS (gas chromatography with tandem mass 
      spectrometry) methodology was much less, equaling 45 and 34%. The pineapple 
      swabbing experiment led to the detection of fludioxonil and diazinon below their 
      respective maximum residue levels (MRLs), whereas measurements of untreated 
      pineapple juice and other fruit extracts led to retrieval of dimethomorph, 
      dinotefuran, imazalil, azoxystrobin, thiabendazole, fludioxonil, and diazinon, 
      also below their MRL. The potential for mutual detection was investigated by 
      mixing two standard solutions and by spiking an extract of fruit with a 
      pesticide's solution, and subsequently, individual compounds were simultaneously 
      detected. For a selected subgroup of compounds, the bromide (Br(-)) chemical 
      ionization characteristics were further inspected using quantum chemical 
      computations to illustrate the structural features leading to their sensitive 
      detection. Importantly, pesticides could be detected in actual extract and fruit 
      samples, which demonstrates the potential of our fast screening method.
CI  - (c) 2023 The Authors. Published by American Chemical Society.
FAU - Partovi, Fariba
AU  - Partovi F
AUID- ORCID: 0000-0002-7932-466X
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
AD  - Aerosol Physics Laboratory, Physics Unit, Faculty of Engineering and Natural 
      Sciences, Tampere University, Tampere 33720, Finland.
FAU - Mikkila, Joona
AU  - Mikkila J
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
FAU - Iyer, Siddharth
AU  - Iyer S
AUID- ORCID: 0000-0001-5989-609X
AD  - Aerosol Physics Laboratory, Physics Unit, Faculty of Engineering and Natural 
      Sciences, Tampere University, Tampere 33720, Finland.
FAU - Mikkila, Jyri
AU  - Mikkila J
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
FAU - Kontro, Jussi
AU  - Kontro J
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
FAU - Ojanpera, Suvi
AU  - Ojanpera S
AD  - Finnish Customs, P.O. Box 512, Helsinki FI-00101, Finland.
FAU - Juuti, Paxton
AU  - Juuti P
AUID- ORCID: 0000-0003-2654-7592
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
FAU - Kangasluoma, Juha
AU  - Kangasluoma J
AUID- ORCID: 0000-0002-1639-1187
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
AD  - Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, 
      University of Helsinki, Helsinki 00014, Finland.
FAU - Shcherbinin, Aleksei
AU  - Shcherbinin A
AD  - Karsa Ltd., A. I. Virtasen aukio 1, Helsinki 00560, Finland.
FAU - Rissanen, Matti
AU  - Rissanen M
AUID- ORCID: 0000-0003-0463-8098
AD  - Aerosol Physics Laboratory, Physics Unit, Faculty of Engineering and Natural 
      Sciences, Tampere University, Tampere 33720, Finland.
AD  - Department of Chemistry, University of Helsinki, Helsinki 00014, Finland.
LA  - eng
PT  - Journal Article
DEP - 20230715
PL  - United States
TA  - ACS Omega
JT  - ACS omega
JID - 101691658
PMC - PMC10373215
COIS- The authors declare no competing financial interest.
EDAT- 2023/07/31 06:42
MHDA- 2023/07/31 06:42
PMCR- 2023/07/15
CRDT- 2023/07/31 05:11
PHST- 2023/01/18 00:00 [received]
PHST- 2023/06/30 00:00 [accepted]
PHST- 2023/07/31 06:42 [medline]
PHST- 2023/07/31 06:42 [pubmed]
PHST- 2023/07/31 05:11 [entrez]
PHST- 2023/07/15 00:00 [pmc-release]
AID - 10.1021/acsomega.3c00385 [doi]
PST - epublish
SO  - ACS Omega. 2023 Jul 15;8(29):25749-25757. doi: 10.1021/acsomega.3c00385. 
      eCollection 2023 Jul 25.