Effective separation of carbohydrate isomers using metal cation and halogen anion complexes in trapped ion mobility spectrometry

Xie, Chengyi; Li, Lei; Wu, Qidi; Guan, Pengfei; Wang, Chenlu; Yu, Jiancheng

doi:10.1016/j.talanta.2020.121903

Cited by 18 publications

(15 citation statements)

References 38 publications

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“…For example, halogen anion, metal cation, [27][28][29] and 3-pyridyl boric acid 30 were incorporated to form ion complexes of carbohydrate, which successfully improves the resolution of carbohydrate isomers in TIMS. However, it is still difficult to reach the effect of baseline separation, especially when analyzing the samples containing multiisomers.…”

Section: Introductionmentioning

confidence: 99%

An overlapping peaks separation algorithm for ion mobility spectrometry based on second‐order differentiation and dynamic inertia weight particle swarm optimization algorithm

Gao

et al. 2021

Rapid Comm Mass Spectrometry

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Rationale: Ion mobility spectrometry (IMS) is a powerful analytical tool extensively applied in numerous domains. However, there still exists the phenomenon of peaks overlapping in the analysis of isomers with similar structures due to the limited resolution of IMS. In this paper, a dynamic inertia weight particle swarm optimization (DIWPSO) algorithm combined with second-order differentiation is proposed to separate the IMS overlapping peaks efficiently and precisely.Methods: It can identify the component number of overlapping peaks and limit those parameters (ion mobility, intensity, and full-width at half maximum of each single peak) of the peak model in a small range using second-order differentiation. Based on this, DIWPSO that has been set the best operating parameters is capable of accurately separating IMS overlapping peaks to identify the compound within a short time.Results: A comparison between the performance of DIWPSO and the improved particle swarm optimization (IPSO) found that DIWPSO with separation errors less than 2.34% overall outperforms IPSO whose maximum error is up to 5.58%.Moreover, the running time of DIWPSO is 30-80 times less than that of IPSO, and DIWPSO exhibits stronger robustness.Conclusions: This method can automatically identify the component number of IMS overlapping peaks and resolve them with muticomponents and different overlapped degrees rapidly and accurately, which further improves the structural resolution of IMS.

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Section: Introductionmentioning

confidence: 99%

An overlapping peaks separation algorithm for ion mobility spectrometry based on second‐order differentiation and dynamic inertia weight particle swarm optimization algorithm

Gao

et al. 2021

Rapid Comm Mass Spectrometry

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“…The calculation results shown in Table S1 confirm the substantial orthogonality between FAIMS and IMS separation. We use the resolving powers of IMS and FAIMS, defined as − where t p is the t D value at the maximum peak intensity of the IMS peak, w I is the peak width at half-maximum for the corresponding IMS peak, CV p is the absolute CV value at the maximum peak intensity of the FAIMS peak, and w F is the corresponding peak width at half-maximum of the FAIMS peak. At 40% He, the best resolving powers of FAIMS and IMS were calculated at 53.5 ( t p = 51.32 ms and w I = 0.96 ms) and 29.9 (CV p = 18.53 V and w F = 0.62 V) for (BK + H + ) + 54.6 ( t p = 28.93 ms and w I = 0.53 ms) and 40.1 (CV p = 20.43 V and w F = 0.51 V) for (BK + 2H + ) 2+ , respectively.…”

Section: Resultsmentioning

confidence: 99%

Two-Dimensional FAIMS-IMS Characterization of Peptide Conformers with Resolution Exceeding 1000

Gao

et al. 2022

Anal. Chem.

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A high-performance field asymmetric waveform ion mobility spectrometry (FAIMS)-IMS-MS platform was developed and applied to explore the conformational diversity of the singly and doubly charged bradykinin (BK + H+)+ and (BK + 2H+)2+ ions. With pure N2 as the FAIMS carrier gas, more than ten conformers of (BK + H+)+ can be resolved using FAIMS-IMS, as compared to only four conformers resolved using either FAIMS or IMS alone. Interestingly, multiple conformers of (BK + H+)+ were found to have completely different values of FAIMS compensation voltage (CV), while their IMS drift times were essentially the same, which were also proven experimentally to not result from the structural annealing by the collisional heating in the ion funnel. The separations in the FAIMS and IMS dimensions are substantially orthogonal, and the overall resolving power of two-dimensional FAIMS-IMS separation is largely proportional to the product of the separation resolving powers of FAIMS and IMS. Using a gas mixture of N2/He to further improve the resolving power of the FAIMS separation, the total resolving powers of the combined FAIMS and IMS separation were estimated to be about 1020 and 1400 for (BK + H+)+ and (BK + 2H+)2+ ions, respectively, which are significantly higher than the resolving power of any ion mobility-based separation techniques demonstrated so far. The combined FAIMS-IMS can thus be a much more powerful technique to explore the structural diversity of biomolecules.

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“…† The result conrmed that our method achieves effective separation of D/L AAs and eliminates the possibility of multiple mobility peaks caused by other factors (i.e. different ionization sites [47][48][49][50] or structural dynamics during transit through TIMS 51 ). In general, all 19 pairs of chiral AAs could be distinguished by only selecting the ionic form of [M + 2Na − H] + without carefully optimizing the combination of reference compounds and cations.…”

Section: Single Condition Differentiation Of Nineteen Chiral Amino Ac...mentioning

confidence: 99%

Chiral derivatization-enabled discrimination and on-tissue detection of proteinogenic amino acids by ion mobility mass spectrometry

et al. 2022

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Effective separation of carbohydrate isomers using metal cation and halogen anion complexes in trapped ion mobility spectrometry

Cited by 18 publications

References 38 publications

An overlapping peaks separation algorithm for ion mobility spectrometry based on second‐order differentiation and dynamic inertia weight particle swarm optimization algorithm

An overlapping peaks separation algorithm for ion mobility spectrometry based on second‐order differentiation and dynamic inertia weight particle swarm optimization algorithm

Two-Dimensional FAIMS-IMS Characterization of Peptide Conformers with Resolution Exceeding 1000

Chiral derivatization-enabled discrimination and on-tissue detection of proteinogenic amino acids by ion mobility mass spectrometry

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