• Mass Spectrometry Letters
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• 제8권4호
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• pp.79-89
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• 2017

Ion mobility mass spectrometry (IM-MS) combines the advantages of ion mobility spectrometry (IMS) and MS for effective gas-phase ion analysis. Separation of ions based on their mobilities prior to MS can be performed without a great loss in other analytical figures of merit, and the extra dimension of analysis offered by IM can be beneficial for isomer and complex sample analyses. In this review, basic principles of IMS and IM-MS are described in addition to an introduction to various IMS techniques and commercial IM-MS instruments. The nature of collision cross-section (${\Omega}_D$), an important parameter determining the transport properties of ions in IMS, is also explained in detail.

• Mass Spectrometry Letters
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• 제11권4호
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• pp.65-70
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• 2020

Despite its great success in the field of proteomics, mass spectrometry has limited use for determining structural details of peptides, proteins, and their assemblies. Emerging ion mobility spectrometry-mass spectrometry has enabled us to explore the conformational space of protein ions in the gas phase, and further combinations with the gas-phase ion spectroscopy and the collision-induced unfolding have extended its abilities to elucidating the secondary structure and local details of conformational transitions. This review will provide a brief introduction to the combined approaches of IMS-MS with gas-phase ion infrared spectroscopy or collision-induced unfolding and their most recent results that successfully revealed higher-order structural details.

• Mass Spectrometry Letters
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• 제12권4호
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• pp.137-145
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• 2021

Herein we report multiple ion mobility (IM) peaks in electrospray ionization IM mass spectrometry (ESI-IM-MS) produced by glutamine residue in peptide. The mobility features of 147 peptides were investigated using ESI-IM-MS combined with liquid chromatography. Of these peptides, 66 presented multiple IM peaks, and analysis of their sequence using collision induced dissociation (CID) revealed that glutamine (Gln), as well as proline (Pro), plays a critical role in generating multiple IM peaks. Mutant-based investigations using Gln-containing peptides indicate that the side chain of Gln promotes intermolecular interactions, inducing multiple structures of the peptide ions in the gas phase. Consequently, the present study demonstrates that the distinct ion mobility signatures identified herein can potentially be used to characterize glutamine-containing peptide ions.

• Mass Spectrometry Letters
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• 제12권4호
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• pp.152-158
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• 2021

Electrospray ionization (ESI) and ion mobility spectrometry-mass spectrometry (IMS-MS) were employed to investigate the solvated structures of ionic species in the lithium iodide electrolyte solution in the gas phase. The Li⁺I^-Li⁺ triple ion and single standalone Li+ ions solvated by 1,4-dioxane were successfully generated and observed by ESI-MS under the influence of dioxane vapor at the inlet region. Under the present experimental condition, (1,4-dioxane)_m·Li⁺ complex ions (m = 1, 2, and 3) and a (1,4-dioxane)·Li⁺I^-Li⁺ complex ion were observed, which were further examined by IMS to investigate their structures. The presence of multiple structural isomers was confirmed, which accounts for the endothermic conformational transition of 1,4-dioxane from a chair to a boat to achieve bidentate O-donor binding to Li⁺ and Li⁺I^-Li⁺. Further structural details critical for the ion-solvent interactions were also examined and discussed with the help of density functional theory calculations.

• Bulletin of the Korean Chemical Society
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• 제32권3호
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• pp.1055-1058
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• 2011

• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1023-1028
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• 2014

Protonated caffeine ($CH^+$) and glucosamine ($GH^+$) overlapped in an analysis with ion mobility spectrometryquadrupole mass spectrometry. Ethyl lactate vapor (L) at different concentrations from 0 to 22 mmol $m^{-3}$ was added as a buffer gas modifier to separate these signals. The drift times of $CH^+$ and $GH^+$ increased with L concentration. The drift time increase was associated to clustering equilibria of $CH^+$ and $GH^+$ with one molecule of L and the equilibrium of $GH^+$ was more displaced to the formation of $GLH^+$ than that of $GLH^+$. $GH^+$ clustered more to L than $CH^+$ because $GLH^+$ formed more stable hydrogen bonds (26.30 kcal/mol) than $GLH^+$ (24.66 kcal/mol) and the positive charge in $GH^+$ was more sterically accessible than in $CH^+$. The aim of this work was to use theoretical calculations to guide the selection of a buffer gas modifier for IMS separations of two compounds that overlap in the mobility spectra and predict this separation, simplifying that empirical process.

• 분석과학
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• 제14권1호
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• pp.1011-1023
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• 2001

• Mass Spectrometry Letters
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• 제15권2호
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• pp.95-106
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• 2024

Taraxacum coreanum, known as the native Korean white dandelion, has been historically used in traditional medicine due to its various therapeutic properties. However, the specific benefits and mechanisms of white dandelion in alleviating particular symptoms or diseases remain uncertain due to the complexity of its phytochemical profile. In this study, we aimed to elucidate the phytochemical profiles of methanolic extracts of different parts of the white dandelion (flower, leaf, stem, and root) using hybrid ion-mobility Q-TOF MS. Using the trapped ion mobility-based PASEF technique, 3715 and 2114 molecular features with MS2 fragments were obtained in positive and negative ion modes, respectively, and then a total of 360 and 156 phytochemical compounds were annotated by matching with a reference spectral library in positive and negative ion modes, respectively. Subsequent feature-based molecular networking analysis revealed the phytochemical differences across the four different parts of the white dandelion. Our findings indicated that the methanolic extracts contained various bioactive compounds, including lipids, flavonoids, phenolic acids, and sesquiterpenes. In particular, lipids such as linoleic acids, lysophosphatidylcholines, and sesquiterpenoids were predominantly present in the leaf, while flavonoid glycosides and lysophosphoethanolamines were notably enriched in the flower. An assessment of the total phenolic content (TPC) and total flavonoid content (TFC) of the methanolic extracts revealed that the majority of phytochemicals were concentrated in the flower. Interestingly, despite the root extract displaying the lowest TPC and TFC values, it exhibited the highest radical scavenging rate when normalized to TPC and TFC, suggesting a potent antioxidant effect. These findings and further investigations into the biological activities and medicinal potential of the identified compounds, particularly those exclusive to specific plant parts, may contribute to the development of novel therapeutic agents derived from white dandelion.

• Mass Spectrometry Letters
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• 제7권1호
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• pp.16-20
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• 2016

Characterization of intact protein structures in the gas phase using electrospray ionization combined with ion mobility mass spectrometry has become an important tool of research. However, the biophysical properties that govern the structures of protein ions in the gas phase remain to be understood. Here, we investigated the impact of host-guest complexation of ubiquitin (Ubq) with macrocyclic host molecules, cucurbit[n]urils (CB[n]s, n = 6, 7), on its structure in the gas phase. We found that CB[n] complexation induces the formation of compact Ubq ions. Both CB[6] and CB[7] exhibited similar effects despite differences in their binding properties in solution. In addition, CB[n] attachment prevented Ubq from unfolding by collisional activation. Based on the experimental results, we suggest that CB[n]s prevent unfolding of Ubq during transfer to the gas phase to promote the formation of compact protein ions. Furthermore, interaction with positively charged residues per se is suggested to be the most important factor for the host-guest complexation effect.

• 인터넷정보학회논문지
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• 제23권3호
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• pp.57-65
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• 2022

선박 또는 항공기 화물을 이용한 국제적인 마약 및 폭발물 반입 시도가 증가하는 추세이다. 최근 우리나라에서도 마약 및 폭발물의 검출 사례가 증가하고 있어 주 경로인 항만, 공항의 컨테이너 검색을 통해 위험물질(마약 및 폭발물)을 탐지하는 것이 중요하다. 본 논문에서는 이온 이동도 분광법(Ion Mobility Spectrometry: IMS)의 샘플링 된 출력신호를 이용하여 컨테이너 내부의 위험물질을 검출하는 기법을 제안한다. 제안하는 기법은 초기화 단계에서 알고 있는 물질을 사용하여 목표 위험물질의 이온 검출을 위한 문턱값, 윈도우 길이, 잡음 수준 등의 파라미터를 사전에 추정한다. 추정된 파라미터는 컨테이너 내부의 목표 위험물질의 이온 검출에 사용된다. 제안된 기법은 컨테이너 환경에 의해 IMS 신호 최대값과 이온 이동도가 변동하는 경우에 적용될 수 있다.