Articles producció científica> Enginyeria Electrònica, Elèctrica i Automàtica

SPME arrow-based extraction for enhanced targeted and untargeted urinary volatilomics

  • Identification data

    Identifier: imarina:9386587
    Authors:
    Llambrich, MariaRamirez, NoeliaCumeras, Raquel
    Abstract:
    Background: Volatile organic compounds (VOCs) present in human urine are promising biomarkers for various health conditions and environmental exposures. However, their reliable detection is challenging due to the complexity of urinary matrices and the low concentrations of VOCs. Moreover, untargeted approaches present considerable challenges in terms of data interpretation, increasing the complexity of method development. Here we address these challenges by developing a new method that combines solid-phase microextraction (SPME) Arrow with gas chromatography-high resolution mass spectrometry (GC-HRMS), using a design of experiments (DOE) approach for targeted and untargeted compounds. This methodology, specifically tailored for SPME Arrow, represents a significant advancement in untargeted urinary analysis. Results: The method was developed based on targeted and untargeted outcomes, were ranking results focus on the highest response area of 11 spiked target VOCs representative of urinary volatilomics, and on identifying the maximum untargeted number of VOCs. The method was developed focusing on the highest response area of 11 spiked target VOCs representative of urinary volatilomics and identifying the maximum number of VOCs. A univariate method determined the optimal coating type, urine volume, and salt addition. Subsequently, a central composite design (CCD) DOE was used to determine ideal temperature, extraction, and incubation times. The best method obtained has an extraction time of 60 min at a temperature of 53 degrees C, with an SPME Arrow CAR/ PDMS using 2 mL of urine, with 0.25 % w/v of NaCl and a pH of 2. Compared to conventional SPME fibers, the SPME Arrow showed improved extraction efficiency, detecting more VOCs. Finally, the enhanced method was successfull
  • Others:

    Author, as appears in the article.: Llambrich, Maria; Ramirez, Noelia; Cumeras, Raquel
    Department: Enginyeria Electrònica, Elèctrica i Automàtica
    URV's Author/s: Cumeras Olmeda, Raquel / Llambrich Rodriguez, Maria / Ramírez González, Noelia
    Keywords: Biomarkers Combination Devic Gas chromatography-mass spectrometry Humans Metabolomics Organic-compounds Solid phase microextraction Solid-phase microextraction Spme arrow Tobacco smoke exposur Tobacco smoke exposure Untargeted analysis Urine Volatile organic compounds Volatilomics
    Abstract: Background: Volatile organic compounds (VOCs) present in human urine are promising biomarkers for various health conditions and environmental exposures. However, their reliable detection is challenging due to the complexity of urinary matrices and the low concentrations of VOCs. Moreover, untargeted approaches present considerable challenges in terms of data interpretation, increasing the complexity of method development. Here we address these challenges by developing a new method that combines solid-phase microextraction (SPME) Arrow with gas chromatography-high resolution mass spectrometry (GC-HRMS), using a design of experiments (DOE) approach for targeted and untargeted compounds. This methodology, specifically tailored for SPME Arrow, represents a significant advancement in untargeted urinary analysis. Results: The method was developed based on targeted and untargeted outcomes, were ranking results focus on the highest response area of 11 spiked target VOCs representative of urinary volatilomics, and on identifying the maximum untargeted number of VOCs. The method was developed focusing on the highest response area of 11 spiked target VOCs representative of urinary volatilomics and identifying the maximum number of VOCs. A univariate method determined the optimal coating type, urine volume, and salt addition. Subsequently, a central composite design (CCD) DOE was used to determine ideal temperature, extraction, and incubation times. The best method obtained has an extraction time of 60 min at a temperature of 53 degrees C, with an SPME Arrow CAR/ PDMS using 2 mL of urine, with 0.25 % w/v of NaCl and a pH of 2. Compared to conventional SPME fibers, the SPME Arrow showed improved extraction efficiency, detecting more VOCs. Finally, the enhanced method was successfully applied to urine samples from children exposed and non-exposed to tobacco smoke, identifying specific VOCs, like p-cymene and p-isopropenyl toluene related to tobacco exposure. Significance: By integrating both targeted and untargeted approaches, the developed method comprehensively captures the complexity of urinary metabolomics. This dual strategy ensures the precise identification of known compounds and the discovery of novel biomarkers, thereby providing a more complete metabolic profile. Such an approach is crucial for advancing in non-invasive diagnostics and environmental health studies, as it offers deeper insights into the intricate relationships between metabolic processes and various health conditions.
    Thematic Areas: Analytical chemistry Astronomia / física Biochemistry Biodiversidade Biotecnología Chemistry, analytical Ciência da computação Ciência de alimentos Ciências agrárias i Ciências biológicas i Ciências biológicas ii Ciências biológicas iii Enfermagem Engenharias ii Engenharias iii Engenharias iv Environmental chemistry Farmacia General medicine Geociências Interdisciplinar Matemática / probabilidade e estatística Materiais Medicina i Medicina ii Odontología Química Spectroscopy
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Author's mail: maria.llambrich@urv.cat noelia.ramirez@urv.cat raquel.cumeras@urv.cat maria.llambrich@urv.cat
    Author identifier: 0000-0001-8418-0982 0000-0003-4663-4247 0000-0001-8418-0982
    Record's date: 2024-10-19
    Papper version: info:eu-repo/semantics/publishedVersion
    Link to the original source: https://www.sciencedirect.com/science/article/pii/S0003267024010626?via%3Dihub
    Papper original source: Analytica Chimica Acta. 1329 343261-
    APA: Llambrich, Maria; Ramirez, Noelia; Cumeras, Raquel (2024). SPME arrow-based extraction for enhanced targeted and untargeted urinary volatilomics. Analytica Chimica Acta, 1329(), 343261-. DOI: 10.1016/j.aca.2024.343261
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Article's DOI: 10.1016/j.aca.2024.343261
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2024
    Publication Type: Journal Publications
  • Keywords:

    Analytical Chemistry,Biochemistry,Chemistry, Analytical,Environmental Chemistry,Spectroscopy
    Biomarkers
    Combination
    Devic
    Gas chromatography-mass spectrometry
    Humans
    Metabolomics
    Organic-compounds
    Solid phase microextraction
    Solid-phase microextraction
    Spme arrow
    Tobacco smoke exposur
    Tobacco smoke exposure
    Untargeted analysis
    Urine
    Volatile organic compounds
    Volatilomics
    Analytical chemistry
    Astronomia / física
    Biochemistry
    Biodiversidade
    Biotecnología
    Chemistry, analytical
    Ciência da computação
    Ciência de alimentos
    Ciências agrárias i
    Ciências biológicas i
    Ciências biológicas ii
    Ciências biológicas iii
    Enfermagem
    Engenharias ii
    Engenharias iii
    Engenharias iv
    Environmental chemistry
    Farmacia
    General medicine
    Geociências
    Interdisciplinar
    Matemática / probabilidade e estatística
    Materiais
    Medicina i
    Medicina ii
    Odontología
    Química
    Spectroscopy
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