Advancing the analytical toolkit in the investigation of vector mosquito host biting site selection

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dc.contributor.author Wooding, Madelien
dc.contributor.author Dodgen, Tyren
dc.contributor.author Rohwer, Egmont Richard
dc.contributor.author Naude, Yvette
dc.date.accessioned 2024-02-28T10:11:31Z
dc.date.available 2024-02-28T10:11:31Z
dc.date.issued 2024-01
dc.description DATA AVAILABILITY STATEMENT : The data that support the findings of this study are available from the corresponding author upon reasonable request. en_US
dc.description SUPPORTING INFORMATION S1 : Experimental Section. en_US
dc.description SUPPORTING INFORMATION S2 : FIGURE S1. Base peak ion (BPI) chromatogram of the selected analytes, L-carnitine (162.1192 m/z [M + H]+), caffeine (195.0907 m/z [M + H]+) and sulfadimethoxine (311.0930 m/z [M + H]+) using the BEH C18 column (top). Extracted ion chromatogram (EIC) for L-phenylalanine at 120.0883 m/z ([M-COOH]+) indicating the presence of the analyte when using the BEH C18 column (bottom). Compounds from a 1 ng/μl (5 μl injection) mixture were analysed using ESI + mode with UPLC-TOFMS. FIGURE S2. (A) PCA score plot showing no distinct clustering between the two skin regions sampled. (B) OPLS-DA score plot using ESI positive mode UPLC-IMS-HRMS data, over 16,000 markers, revealing separation between the ankle (red) and wrist (green) skin surface chemical profiles. (C) S-plot showing m/z, retention time (min) and drift time (ms) pairs of compounds contributing the differences in the chemical profiles of the ankle (red) and wrist (green) skin surface area. FIGURE S3. Base peak ion (BPI) chromatograms showing two skin regions sampled on Day 3. Three repeats per surface skin area sampled are shown. The top three traces are from the ankle skin surface area sampled and the lower three traces is from the wrist skin surface area sampled. TABLE S1: Compounds, tentatively identified during an untargeted analysis of the human skin surface, detected on the ankle and wrist skin surface area using a passive sampling method and solvent desorption with UPLC-IMS-HRMS. The compounds listed were classified, using chemometric techniques, as contributing to the difference between the ankle and wrist skin surface chemical profile. Mean, median and range are given in terms of detector counts. en_US
dc.description.abstract High-resolution mass spectrometry and ion mobility spectrometry provide additional confidence in biological marker discovery and elucidation by adding additional peak capacity through physiochemical separation orthogonal to chromatography. Sophisticated analytical techniques have proved valuable in the identification of human skin surface chemicals used by vector mosquitoes to find their human host. Polydimethylsiloxane (PDMS) was used as a non-invasive passive wearable sampler to concentrate skin surface non-volatile and semi-volatile compounds prior to solvent desorption directly in an LC vial, thereby simplifying the link between extraction and analysis. Ultra-performance liquid chromatography with ion mobility spectrometry coupled with high-resolution mass spectrometry (UPLC-IMS-HRMS) was used for compound separation and detection. A comparison of the skin chemical profiles between the ankle and wrist skin surface region sampled over a 5-day period for a human volunteer was done. Twenty-three biomarkers were tentatively identified with the aid of a collision cross-section (CCS) prediction tool, seven associated with the ankle skin surface region and 16 closely associated with the wrist skin surface. Ten amino acids were detected and unequivocally identified on the human skin surface for the first time. Furthermore, 22 previously unreported skin surface compounds were tentatively identified on the human skin surface using accurate mass, CCS values and fragmentation patterns. Method limits of detection for the passive skin sampling method ranged from 8.7 (sulfadimethoxine) to 95 ng (taurine). This approach enabled the detection and identification of as-yet unknown human skin surface compounds and provided corresponding CCS values. en_US
dc.description.department Chemistry en_US
dc.description.librarian hj2024 en_US
dc.description.sdg None en_US
dc.description.sponsorship Dr Hubert Mandery; L'Oréal-UNESCO For Women in Science sub-Saharan African Programme. en_US
dc.description.uri http://wileyonlinelibrary.com/journal/jms en_US
dc.identifier.citation Wooding, M., Dodgen, T., Rohwer, E.R. & Naudé, Y. Advancing the analytical toolkit in the investigation of vector mosquito host biting site selection. Journal of Mass Spectrometry 2024;59(1): e4992. doi:10.1002/jms.4992. en_US
dc.identifier.issn 1076-5174 (print)
dc.identifier.issn 1096-9888 (online)
dc.identifier.other 10.1002/jms.4992
dc.identifier.uri http://hdl.handle.net/2263/94964
dc.language.iso en en_US
dc.publisher Wiley en_US
dc.rights © 2023 The Authors. Journal of Mass Spectrometry published by John Wiley & Sons Ltd. This is an open access article under the terms of the Creative Commons Attribution License. en_US
dc.subject Collision cross-section (CCS) prediction en_US
dc.subject Human surface skin compounds en_US
dc.subject Ion mobility en_US
dc.subject Non-invasive sampling en_US
dc.subject Ultra-performance liquid chromatography with ion mobility spectrometry coupled with high-resolution mass spectrometry (UPLC-IMS-HRMS) en_US
dc.subject Wearable PDMS sampler en_US
dc.subject Polydimethylsiloxane (PDMS) en_US
dc.subject Ultra-performance liquid chromatography (UPLC) en_US
dc.subject Ion mobility spectrometry (IMS) en_US
dc.subject High-resolution mass spectrometry (HRMS) en_US
dc.title Advancing the analytical toolkit in the investigation of vector mosquito host biting site selection en_US
dc.type Article en_US


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