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Grant support

This research was (partially) funded by X-Omics (NWO Project 184.034.019) and by DSM Biotechnology Delft. The authors acknowledge the contribution of Raphael Zwier from the Fine Mechanics Department at Leiden University for fabricating the PCTFE flow cell, and Manfred Spraul and Ulrich Braumann from Bruker BioSpin for the discussions on the urine analysis and supplying the buffer.

Analysis of institutional authors

Souza, Adriana CarvalhoAuthor

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November 22, 2022
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Automated Segmented-Flow Analysis - NMR with a Novel Fluoropolymer Flow Cell for High-Throughput Screening

Publicated to:ANALYTICAL CHEMISTRY. 94 (44): 15350-15358 - 2022-10-27 94(44), DOI: 10.1021/acs.analchem.2c03038

Authors: Wouters, Bert; Miggiels, Paul; Bezemer, Roland; van der Cruijsen, Elwin A. W.; van Leeuwen, Erik; Gauvin, John; Houben, Klaartje; Gupta, Karthick Babu Sai Sankar; Zuijdwijk, Paul; Harms, Amy; Souza, Adriana Carvalho; Hankemeier, Thomas;

Affiliations

DSM Biotechnol Ctr, NL-2613 AX Delft, Netherlands - Author
Leiden Univ, Leiden Inst Chem, NL-2333 CC Leiden, Netherlands - Author
Leiden Univ, Metabol & Analyt Ctr, Leiden Acad Ctr Drug Res, NL-2333 CC Leiden, Netherlands - Author

Abstract

High-throughput analysis in fields such as industrial biotechnology, combinatorial chemistry, and life sciences is becoming increasingly important. Nuclear magnetic resonance (NMR) spectroscopy is a powerful technique providing exhaustive molecular information on complex samples. Flow NMR in particular is a cost and time-efficient method for large screenings. In this study, we have developed a novel 3.0 mm inner diameter polychlorotrifluoroethylene (PCTFE) flow cell for a segmented-flow analysis (SFA) - NMR automated platform. The platform uses FC-72 fluorinated oil and fluoropolymer components to achieve a fully fluorinated flow path. Samples were repeatably transferred from 96-deepwell plates to the flow cell by displacing a fixed volume of oil, with a transfer time of 42 s. 1H spectra were acquired fully automated with 500 and 600 MHz NMR spectrometers. The spectral performance of the novel PCTFE cell was equal to that of commercial glass cells. Peak area repeatability was excellent with a relative standard deviation of 0.1-0.5% for standard samples, and carryover was below 0.2% without intermediate washing. The sample temperature was conditioned by using a thermostated transfer line in order to reduce the equilibration time in the probe and increase the throughput. Finally, analysis of urine samples demonstrated the applicability of this platform for screening complex matrices.

Keywords

CapillaryDesignDirect-injection nmrH-1-nmrHigh-pressureHigh-resolutionNuclear-magnetic-resonanceProbeSpectroscopyTube

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal ANALYTICAL CHEMISTRY due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2022, it was in position 7/86, thus managing to position itself as a Q1 (Primer Cuartil), in the category Chemistry, Analytical. Notably, the journal is positioned above the 90th percentile.

From a relative perspective, and based on the normalized impact indicator calculated from the Field Citation Ratio (FCR) of the Dimensions source, it yields a value of: 1.16, which indicates that, compared to works in the same discipline and in the same year of publication, it ranks as a work cited above average. (source consulted: Dimensions Jul 2025)

Specifically, and according to different indexing agencies, this work has accumulated citations as of 2025-07-04, the following number of citations:

  • WoS: 2

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-07-04:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 13.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 13 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 0.75.
  • The number of mentions on the social network X (formerly Twitter): 2 (Altmetric).

Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: Netherlands.