MIMA—a software for analyte identification in MCC/IMS chromatograms by mapping accompanying GC/MS measurements

Maurer, Felix; Hauschild, Anne-Christin; Eisinger, Kathrin; Baumbach, Jan; Mayor, Arno

doi:10.1007/s12127-014-0149-5

Cited by 13 publications

(12 citation statements)

References 17 publications

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“…Approaches for aligning GC/MS and MCC/IMS spectra have been recently described 10, 72–74 including some specific software (MIMA an MS-IMS-Mapper) 74, 75 .…”

Section: Hyphenated Methodsmentioning

confidence: 99%

Review on Ion Mobility Spectrometry. Part 2: hyphenated methods and effects of experimental parameters

Cumeras

Figueras

Davis

et al. 2015

Analyst

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147

114

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Ion Mobility Spectrometry (IMS) is a widely used and ‘well-known’ technique of ion separation in gaseous phase based on the differences of ion mobilities under an electric field. This technique has received increased interest over the last several decades as evidenced by the pace and advances of new IMS devices available. In this review we explore the hyphenated techniques that are used with IMS, especially mass spectrometry as identification approach and multi-capillary column as pre-separation approach. Also, we will pay special attention to the key figures of merit of the ion mobility spectrum and how data is treated, and the influences of the experimental parameters in both a conventional drift time IMS (DTIMS) and a miniaturized IMS also known as high Field Asymmetric IMS (FAIMS) in the planar configuration. The current review article is preceded by a companion review article which details the current instrumentation and to the sections that configures both a conventional DTIMS and FAIMS devices. Those reviews will give the reader an insightful view of the main characteristics and aspects of the IMS technique.

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“…Approaches for aligning GC/MS and MCC/IMS spectra have been recently described 10, 72–74 including some specific software (MIMA an MS-IMS-Mapper) 74, 75 .…”

Section: Hyphenated Methodsmentioning

confidence: 99%

Review on Ion Mobility Spectrometry. Part 2: hyphenated methods and effects of experimental parameters

Cumeras

Figueras

Davis

et al. 2015

Analyst

Self Cite

147

114

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“…Ten millilitres of exhaled air (every 20 min) was retained in the sample loop before it entered the MCC of the IMS instrument. The retention time in relation to the preseparation of the MCC, the drift time of the ions within the IMS instrument, and the intensity of the analytes were provided by MCC-IMS and were subsequently identified using the BS-MCC/IMS-Analytes database (version 1209) in combination with the program MIMA [21]. VOCs were identified using the program Visual Now 3.1 (B & S Analytik, Dortmund, Germany).…”

Section: Mcc-ims Measurementsmentioning

confidence: 99%

Exhalation pattern changes during fasting and low dose glucose treatment in rats

et al. 2015

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The analysis of exhaled metabolites has become a promising field of research in recent decades. Several volatile organic compounds reflecting metabolic disturbance and nutrition status have even been reported. These are particularly important for long-term measurements, as needed in medical research for detection of disease progression and therapeutic efficacy. In this context, it has become urgent to investigate the effect of fasting and glucose treatment for breath analysis. In the present study, we used a model of ventilated rats that fasted for 12 h prior to the experiment. Ten rats per group were randomly assigned for continuous intravenous infusion without glucose or an infusion including 25 mg glucose per 100 g per hour during an observation period of 12 h. Exhaled gas was analysed using multicapillary column ion-mobility spectrometry. Analytes were identified by the BS-MCC/IMS database (version 1209; B & S Analytik, Dortmund, Germany). Glucose infusion led to a significant increase in blood glucose levels (p < 0.05 at 4 h and thereafter) and cardiac output (p < 0.05 at 4 h and thereafter). During the observation period, 39 peaks were found collectively. There were significant differences between groups in the concentration of ten volatile organic compounds: p < 0.001 at 4 h and thereafter for isoprene, cyclohexanone, acetone, p-cymol, 2-hexanone, phenylacetylene, and one unknown compound, and p < 0.001 at 8 h and thereafter for 1-pentanol, 1-propanol, and 2-heptanol. Our results indicate that for long-term measurement, fasting and the withholding of glucose could contribute to changes of volatile metabolites in exhaled air.

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“…Preseparation of volatile acetone by multicapillary columns resulted in compound retention time (RT), analysis by ion-mobility spectrometry in drift time (1/K0). Acetone monomers and dimers were identified in the chromatogram by Visual Now 3.6 (B&S Analytik, Dortmund, Germany) and comparison with an existing database (BS-MCC/IMS-analytes database, version 1209, B&S Analytik, Dortmund, Germany) [ 11 ] as well as pure substance measurements. Intensity of total volatile acetone was calculated:…”

Section: Methodsmentioning

confidence: 99%

Quantification of Volatile Acetone Oligomers Using Ion-Mobility Spectrometry

Hüppe

Lorenz

Maurer

et al. 2021

Journal of Analytical Methods in Chemistry

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Background. Volatile acetone is a potential biomarker that is elevated in various disease states. Measuring acetone in exhaled breath is complicated by the fact that the molecule might be present as both monomers and dimers, but in inconsistent ratios. Ignoring the molecular form leads to incorrect measured concentrations. Our first goal was to evaluate the monomer-dimer ratio in ambient air, critically ill patients, and rats. Our second goal was to confirm the accuracy of the combined (monomer and dimer) analysis by comparison to a reference calibration system. Methods. Volatile acetone intensities from exhaled air of ten intubated, critically ill patients, and ten ventilated Sprague-Dawley rats were recorded using ion-mobility spectrometry. Acetone concentrations in ambient air in an intensive care unit and in a laboratory were determined over 24 hours. The calibration reference was pure acetone vaporized by a gas generator at concentrations from 5 to 45 ppbv (parts per billion by volume). Results. Acetone concentrations in ambient laboratory air were only slightly greater (5.6 ppbv; 95% CI 5.1–6.2) than in ambient air in an intensive care unit (5.1 ppbv; 95% CI 4.4–5.5; p < 0.001 ). Exhaled acetone concentrations were only slightly greater in rats (10.3 ppbv; 95% CI 9.7–10.9) than in critically ill patients (9.5 ppbv; 95% CI 7.9–11.1; p < 0.001 ). Vaporization yielded acetone monomers (1.3–5.3 mV) and dimers (1.4–621 mV). Acetone concentrations (ppbv) and corresponding acetone monomer and dimer intensities (mV) revealed a high coefficient of determination (R2 = 0.96). The calibration curve for acetone concentration (ppbv) and total acetone (monomers added to twice the dimers; mV) was described by the exponential growth 3-parameter model, with an R2 = 0.98. Conclusion. The ratio of acetone monomer and dimer is inconsistent and varies in ambient air from place-to-place and across individual humans and rats. Monomers and dimers must therefore be considered when quantifying acetone. Combining the two accurately assesses total volatile acetone.

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MIMA—a software for analyte identification in MCC/IMS chromatograms by mapping accompanying GC/MS measurements

Cited by 13 publications

References 17 publications

Review on Ion Mobility Spectrometry. Part 2: hyphenated methods and effects of experimental parameters

Review on Ion Mobility Spectrometry. Part 2: hyphenated methods and effects of experimental parameters

Exhalation pattern changes during fasting and low dose glucose treatment in rats

Quantification of Volatile Acetone Oligomers Using Ion-Mobility Spectrometry

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