Isomer separation of polybrominated diphenyl ether metabolites using nanoESI-TIMS-MS

Adams, Kendra J.; Montero, Dennise; Aga, Diana S.; Fernandez-Lima, Francisco

doi:10.1007/s12127-016-0198-z

Cited by 73 publications

(74 citation statements)

References 61 publications

(92 reference statements)

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“…For example, when TIMS-MS is operated at an A ~200 (v g ≈ 93 m/s), the required field strength to trap the high mass protein ions in their native state is V elution − V base < 360 V. Although this electric field is technically achievably, the trapping efficiency is typically low for high mass species. Nevertheless, under these conditions, ion mobility resolutions (R= CCS/ΔCCS) of up to 400 have been achieved for lower mass systems (see example in the separation of hydroxylated polybrominated-diphenyl ethers[125]). In the case of larger mass systems, a factor of <2x in the resolving power can be compromised in order to achieved higher trapping efficiencies.…”

Section: Resultsmentioning

confidence: 99%

Towards the analysis of high molecular weight proteins and protein complexes using TIMS-MS

Benigni

Marin

Molano-Arévalo

et al. 2016

Int. J. Ion Mobil. Spec.

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In the present work, we demonstrate the potential and versatility of TIMS for the analysis of proteins, DNA-protein complexes and protein-protein complexes in their native and denatured states. In addition, we show that accurate CCS measurement are possible and in good agreement with previously reported CCS values using other IMS analyzers (<5% difference). The main challenges for the analysis of high mass proteins and protein complexes in the mobility and m/z domain are described. That is, the analysis of high molecular weight systems in their native state may require the use of higher electric fields or a compromise in the TIMS mobility resolution by reducing the bath gas velocity in order to effectively trap at lower electric fields. This is the first report of CCS measurements of high molecular weight biomolecules and biomolecular complexes (~ 150 kDa) using TIMS-MS.

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Section: Resultsmentioning

confidence: 99%

Towards the analysis of high molecular weight proteins and protein complexes using TIMS-MS

Benigni

Marin

Molano-Arévalo

et al. 2016

Int. J. Ion Mobil. Spec.

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“…1b). Previous IMS analyses of a small number of PAH and PBDE standards illustrated that IMS is capable of analyzing and separating these nonpolar molecules [23–26]. In this work we further evaluated IMS-MS for the rapid characterization of PAHs, PCBs, PBDEs and their hydroxylated metabolites with different ionization methods including electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI).…”

Section: Introductionmentioning

confidence: 99%

Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites

Zheng

Dupuis

Aly

et al. 2018

Analytica Chimica Acta

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Polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) are persistent environmental pollutants originating from incomplete combustion of organic materials and synthetic sources. PAHs, PCBs, and PBDEs have all been shown to have a significant effect on human health with correlations to cancer and other diseases. Therefore, measuring the presence of these xenobiotics in the environment and human body is imperative for assessing their health risks. To date, their analyses require both gas chromatography and liquid chromatography separations in conjunction with mass spectrometry measurements for detection of both the parent molecules and their hydroxylated metabolites, making their studies extremely time consuming. In this work, we characterized PAHs, PCBs, PBDEs and their hydroxylated metabolites using ion mobility spectrometry coupled with mass spectrometry (IMS-MS) and in combination with different ionization methods including electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI). The collision cross section and m/z trend lines derived from the IMS-MS analyses displayed distinct trends for each molecule type. Additionally, the rapid isomeric and molecular separations possible with IMS-MS showed great promise for quickly distinguishing the parent and metabolized PAH, PCB, and PDBE molecules in complex environmental and biological samples.

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“…Additional structural identification often is achieved by hyphenating IMS to (high-resolution) mass spectrometric (MS) detection. The past twenty years has seen rapid development of new IMS devices, in which a considerable improvement, especially in resolving power, was achieved [4][5][6][7]. Still, separation of structural isomers with IMS can be quite challenging.…”

Section: Introductionmentioning

confidence: 99%

“…Trapped ion mobility spectrometry (TIMS), a recent IMS development commercialized by Bruker Daltonics (Bremen, Germany), operates at low electric field, preventing ion heating, thus offering optimal conditions for studying noncovalent complexes and relatively loosely bound adducts. Additionally, TIMS offers mobility separations with up to a resolving power (R) of 400 [4], which was successfully applied in fast separations of isobars and isomers [4,21,22].…”

Section: Introductionmentioning

confidence: 99%

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Zietek

Mengerink

Jordens

et al. 2017

Int. J. Ion Mobil. Spec.

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Recent developments in the field of ion mobility spectrometry provide new possibilities to explore and understand gas-phase ion chemistry. In this study, hyphenated trapped ion mobility spectrometry-mass spectrometry (TIMS-MS) was applied to investigate analyte ion mobility as function of adduct ion formation for twelve pharmaceutically relevant molecules, and for tetrahydrocannabinol (THC) and its isomer cannabidiol (CBD). Samples were introduced by direct infusion and ions were generated with positive electrospray ionization (ESI+) observing protonated and sodiated ions. Measurements were performed with and without addition of cesium-, lithium-, silver-and sodium ions to the samples. For the tested compounds, metal adduct ions with the same m/z but with different mobility and collision cross section (CCSs) were observed, indicating different molecular conformations. Formation of analyte dimers was also observed, which could be associated with molecular geometry of the compounds. By optimizing the range and speed of the electric field gradient and ramp, respectively, the separation of THC and CBD was achieved by employing the adduct formation. This study demonstrates that the favorable resolution of TIMS combined with the ability to detect weakly bound counter ions is a valuable means for rapid detection, separation and structural assignment of molecular isomers and analyte conformations.

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Isomer separation of polybrominated diphenyl ether metabolites using nanoESI-TIMS-MS

Cited by 73 publications

References 61 publications

Towards the analysis of high molecular weight proteins and protein complexes using TIMS-MS

Towards the analysis of high molecular weight proteins and protein complexes using TIMS-MS

Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

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