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      Improved extraction repeatability and spectral reproducibility for liquid extraction surface analysis–mass spectrometry using superhydrophobic–superhydrophilic patterning

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      Publication date
      2018-12-21
      Creators
      Meurs, Joris
      Alexander, Morgan
      Metadata
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      Description
      Data related to the paper "Improved Extraction Repeatability and Spectral Reproducibility for Liquid Extraction Surface Analysis–Mass Spectrometry Using Superhydrophobic–Superhydrophilic Patterning" A major problem limiting reproducible use of liquid extraction surface analysis (LESA) array sampling of dried surface-deposited liquid samples is the unwanted spread of extraction solvent beyond the dried sample limits, resulting in unreliable data. Here, we explore the use of the Droplet Microarray (DMA), which consists of an array of superhydrophilic spots bordered by a superhydrophobic material giving the potential to confine both the sample spot and the LESA extraction solvent in a defined area. We investigated the DMA method in comparison with a standard glass substrate using LESA analysis of a mixture of biologically relevant compounds with a wide mass range and different physicochemical properties. The optimized DMA method was subsequently applied to urine samples from a human intervention study. Relative standard deviations for the signal intensities were all reduced at least 3-fold when performing LESA-MS on the DMA surface compared with a standard glass surface. Principal component analysis revealed more tight clusters indicating improved spectral reproducibility for a human urine sample extracted from the DMA compared to glass. Lastly, in urine samples from an intervention study, more significant ions (145) were identified when using LESA-MS spectra of control and test urine extracted from the DMA. We demonstrate that DMA provides a surface-assisted LESA-MS method delivering significant improvement of the surface extraction repeatability leading to the acquisition of more robust and higher quality data. The DMA shows potential to be used for LESA-MS for controlled and reproducible surface extraction and for acquisition of high quality, qualitative data in a high-throughput manner.
      External URI
      • https://rdmc.nottingham.ac.uk/handle/internal/6183
      DOI
      • http://doi.org/10.17639/nott.6176
      Links
      • http://doi.org/10.1021/acs.analchem.8b00973
      • http://doi.org/10.17639/nott.6176
      Subjects
      • Surfaces (Technology) -- Analysis
      • Mass spectrometry
      • Surface chemistry -- Technique
      • LESA-MS, Droplet Microarray, Sampling Repeatability
      • Biological Sciences::Molecular biology, biophysics & biochemistry::Applied molecular biology, biophysics & biochemistry
      • Q Science::QP Physiology::QP501 Animal biochemistry
      Divisions
      • University of Nottingham, UK Campus::Faculty of Science::School of Pharmacy
      Research institutes and centres
      • University of Nottingham, UK Campus
      Deposit date
      2018-12-21
      Alternative title
      • LESA-MS data of a standard mixture sampled from glass and Droplet Microarray
      • LESA-MS data of urine samples from a tea intervention study sampled from glass and Droplet Microarray
      Corporate creators
      • Karlsruhe Institute of Technology
      Data type
      LESA-MS spectra
      Contributors
      • Meurs, Joris
      • Alexander, Morgan
      • Widmaier, Simon
      • Levkin, Pavel
      • Barrett, David
      • Kim, Dong-Hyun
      Funders
      • Engineering & Physical Sciences Research Council
      Grant number
      • EP/N006615/1
      Data collection method
      Dried samples were extracted from the surface using the Nanomate robot (Advion Biosciences, Ithaca, USA) using a solvent mixture containing 70% methanol, 30% water after which formic acid was added to 0.1% v/v. The extraction solvent (5 μL) was aspirated from the solvent reservoir from which 3 μL was dispensed onto the substrate surface. After 5 s, 3.5 μL was re-aspirated into the tip and, after a delay of 10 s, the tip was directed to a nanoESI chip. Ionization was performed at 1.45 kV with 0.3 psi back pressure.3 Data was acquired for 1.5 min in electrospray positive ionization mode on an Exactive Orbitrap mass spectrometer (Thermo Scientific, San Jose, USA) using a scan range of m/z 100−1500. The resolution was set to 100 000 at m/z 400. Maximum injection was set to 1000 ms; the AGC target was set to 1 × 106 , and every scan consisted of 1 microscan. The capillary temperature was set to 250 °C, and the declustering potential, skimmer voltage, and capillary voltage were, respectively, set to 125, 20, and 80 V
      Resource languages
      • en
      Publisher
      The University of Nottingham

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