Negative photoionization chloride ion attachment ion mobility spectrometry for the detection of organic acids

Gao, Hui; Niu, Wenqi; Yan, Hong; Xu, Beibei; Shen, Chengyin; Huang, Chaoqun; Jiang, Haihe; Chu, Yannan

doi:10.1039/c4ra10763b

Cited by 7 publications

(2 citation statements)

References 49 publications

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“…The C x – C 1 trend suggests that the increasing number of −CH 2 – units follows a cylindrical growth, in good agreement with MoShade predictions, with a slight deviation for longer chains. This deviation might be an artifact of the MD calculation (a linear experimental trend of 1/ K 0 vs the number of −CH 2 – units was observed in the literature), which also does not take into account the FeCl 3 core.…”

Section: Resultsmentioning

confidence: 90%

Geometric Analysis of Shapes in Ion Mobility–Mass Spectrometry

Haler

Béchet

Kune

et al. 2022

J. Am. Soc. Mass Spectrom.

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Experimental ion mobility−mass spectrometry (IM−MS) results are often correlated to three-dimensional structures based on theoretical chemistry calculations. The bottleneck of this approach is the need for accurate values, both experimentally and theoretically predicted. Here, we continue the development of the trend-based analyses to extract structural information from experimental IM−MS data sets. The experimental collision cross-sections (CCSs) of synthetic systems such as homopolymers and small ionic clusters are investigated in terms of CCS trends as a function of the number of repetitive units (e.g., degree of polymerization (DP) for homopolymers) and for each detected charge state. Then, we computed the projected areas of expanding but perfectly defined geometric objects using an in-house software called MoShade. The shapes were modeled using computer-aided design software where we considered only geometric factors: no atoms, mass, chemical potentials, or interactions were taken into consideration to make the method orthogonal to classical methods for 3D shape assessments using time-consuming computational chemistry. Our modeled shape evolutions favorably compared to experimentally obtained CCS trends, meaning that the apparent volume or envelope of homogeneously distributed mass effectively modeled the ion−drift gas interactions as sampled by IM−MS. The CCSs of convex shapes could be directly related to their surface area. More importantly, this relationship seems to hold even for moderately concave shapes, such as those obtained by geometry-optimized structures of ions from conventional computational chemistry methods. Theoretical sets of expanding beads-on-a-string shapes allowed extracting accurate bead and string dimensions for two homopolymers, without modeling any chemical interactions.

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Section: Resultsmentioning

confidence: 90%

Geometric Analysis of Shapes in Ion Mobility–Mass Spectrometry

Haler

Béchet

Kune

et al. 2022

J. Am. Soc. Mass Spectrom.

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show abstract

“…Even though the K 0 values are normalized to the standard temperature (273 K) and the pressure (760 torr) they are also affected by the composition of drift gas, electric field and moisture. Therefore, slight differences can be observed when comparing K 0 values with the values reported in the literature [ 27 ]. In this work, the K 0 values of carboxylic acids were nearly identical to those obtained under similar IMS conditions after their separation by zone electrophoresis on the microchip [ 18 ].…”

Section: Resultsmentioning

confidence: 99%

Development of Microchip Isotachophoresis Coupled with Ion Mobility Spectrometry and Evaluation of Its Potential for the Analysis of Food, Biological and Pharmaceutical Samples

et al. 2021

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An online coupling of microchip isotachophoresis (µITP) with ion mobility spectrometry (IMS) using thermal evaporation interface is reported for the first time. This combination integrates preconcentration power of the µITP followed by unambiguous identification of trace compounds in complex samples by IMS. Short-chain carboxylic acids, chosen as model analytes, were first separated by the µITP in a discontinuous electrolyte system at pH 5–6, and subsequently evaporated at 130 °C during their transfer to the IMS analyzer. Various parameters, affecting the transfer of the separated sample components through the evaporation system, were optimized to minimize dispersion and loss of the analytes as well as to improve sensitivity. The following analytical attributes were obtained for carboxylic acids in the standard solutions: 0.1–0.3 mg L−1 detection limits, 0.4–0.9 mg L−1 quantitation limits, linear calibration range from the quantitation limit to 75 mg L−1, 0.2–0.3% RSD of the IMS response and 98–102% accuracy. The analytical potential of the developed µITP-IMS combination was demonstrated on the analysis of various food, pharmaceutical and biological samples, in which the studied acids are naturally present. These include: apple vinegar, wine, fish sauce, saliva and ear drops. In the real samples, 0.3–0.6% RSD of the IMS response and 93–109% accuracy were obtained.

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