• Mass Spectrometry Letters
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• 제6권4호
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• pp.91-98
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• 2015

The Brownian motion or Wiener process, as the physical model of the stochastic procedure, is observed as an indexed collection random variables. Stochastic procedure are quite influential on the confinement potential fluctuation in the quadrupole ion trap (QIT). Such effect is investigated for a high fractional mass resolution Δm/m spectrometry. A stochastic procedure like the Wiener or Brownian processes are potentially used in quadrupole ion traps (QIT). Issue examined are the stability diagrams for noise coefficient, η=0.07;0.14;0.28 as well as ion trajectories in real time for noise coefficient, η=0.14. The simulated results have been obtained with a high precision for the resolution of trapped ions. Furthermore, in the lower mass range, the impulse voltage including the stochastic potential can be considered quite suitable for the quadrupole ion trap with a higher mass resolution.

• Bulletin of the Korean Chemical Society
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• 제34권1호
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• pp.207-210
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• 2013

We report the construction of a MALDI imaging mass spectrometer equipped with a specially designed laser focusing lens, a compact aspherical singlet lens, that obtains a high-lateral imaging resolution in the microprobe mode. The lens is specially designed to focus the ionization laser (${\lambda}$ = 355 nm) down to a $1{\mu}m$ diameter with a long working distance of 34.5 mm. With the lens being perpendicular to the sample surface and sharing the optical axis with the ion path, the imaging mass spectrometer achieved an imaging resolution of as good as $5{\mu}m$ along with a high detection sensitivity of 100 fmol for peptides. The mass resolution was about 900 (m/${\Delta}m$) in the linear TOF mode. The high-resolution capability of this instrument will provide a new research opportunity for label-free imaging studies of various samples including tissues and biochips, even for the study at a single cell level in the future.

• 전기학회논문지
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• 제67권9호
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• pp.1232-1238
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• 2018

This paper proposes methods for improving mass spectral resolution for a gas chromatograph mass spectrometer. The slope signs of the 1st and 2nd fitting functions for the ion signal block of each mass index are obtained, and the unnecessary element signals in the ion signal block are removed. The spectrum can be obtained by obtaining the second-order fitting function of the reconstructed ion signal block using only the effective ion signals. In addition, the resolution of the mass spectrum can be improved by correcting the error caused by the shift of the spectral peak position. To verify the performance of the proposed methods, computer simulations were performed using the actual ion signals obtained from the GC-MS system under development. Simulation results show that the proposed method is valid.

• 분석과학
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• 제18권6호
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• pp.483-490
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• 2005

TOF 비행시간을 이용한 에어로졸 질량분석기에서 질량분석기의 분해능은 발생하는 이온의 초기에너지와 이온이 움직이는 진행방향에 따라 달라진다. 고출력 펄스형 레이저에 의하여 에어로졸로부터 용발되어 이온화된 원소들은 다른 속도로 사방으로 퍼져 나가게 되어 분해능 저하를 초래하는데 이를 방지하기 위해서 1차 가속된 이온들을 서로 다른 에너지로 후집속하여 같은 시간에 이온센서에 도달하도록 하는 장치에 대하여 연구를 수행하였다. 후집속 전위를 $90^{\circ}$ 방향으로 진행하는 이온을 중심으로 서로 다른 방향으로 걸어 줌으로써 TOF 영역을 지나 센서로 도입되는 이온의 도착 시간이 크게 개선되었음을 알 수 있었으며, 이를 실증하기 위하여 레이저 유도 이온을 만들고 후집속 장치를 구성하여 최적의 시간지연시간 및 전압 조건을 도출하여 그 성능을 증가시켰다.

• Mass Spectrometry Letters
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• 제3권3호
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• pp.63-67
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• 2012

The need of heavy and unconventional crude oil as an energy source is increasing day by day, so does the importance of petroleomics: the pursuit of detailed knowledge of heavy crude oil. Crude oil needs techniques with ultra-high resolving capabilities to resolve its complex characteristics. Therefore, ultra-high resolution mass spectrometry represented by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been successfully applied to the study of heavy and unconventional crude oils. The analysis of crude oil with high resolution mass spectrometry (FT-ICR MS) has pushed analysis to the limits of instrumental and methodological capabilities. Each high-resolution mass spectrum of crude oil may routinely contain over 50,000 peaks. To visualize and effectively study the large amount of data sets is not trivial. Therefore, data processing and visualization methods such as Kendrick mass defect and van Krevelen analyses and statistical analyses have played an important role. In this regard, it will not be an overstatement to say that the success of FT-ICR MS to the study of crude oil has been critically dependent on data processing methods. Therefore, this review offers introduction to peotroleomic data interpretation methods.

• Mass Spectrometry Letters
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• 제9권3호
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• pp.81-85
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• 2018

In this study, the chemical composition of bacterial melanin isolated from the Streptomyces glaucescens strain was elucidated by ultra-high-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Ultra-high-resolution mass profiles of the microbial melanin product were acquired using a 15 Tesla FT-ICR mass spectrometer in positive and negative ion modes via electrospray ionization to obtain more complete descriptions of the molecular compositions of melanin-derived organic constituents. A mass resolving power of 500,000 (at m/z 400) was achieved for all spectra while collecting 400 scans per sample with a 4 M transient. The results of this analysis revealed that the melanin pigment isolated from S. glaucescens predominantly exhibits CHON and CHO species, which belong to the proteins class of compounds, with the mean C/O and C/N ratios of 4.3 and 13.1, thus suggesting that the melanin could be eumelanin. This analytical approach could be utilized to investigate the molecular compositions of a variety of natural or synthetic melanins. The compositional features of melanins are important for understanding their formation mechanisms and physico-chemical properties.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.749-752
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• 2014

New software was developed for the assignment of elemental formulae based on high-resolution mass spectra and subsequent hydrogen/deuterium exchange data. Entire peaks in high-resolution mass spectra were grouped by their Kendrick mass defect values, and the weighted RMS deviations between theoretical and experimental values were used to determine elemental formulae. After this initial assignment, formulae containing deuterium atoms were sorted in order to interpret hydrogen/deuterium exchange spectra. The software was successfully applied to hydrogen/deuterium exchange spectra of resins and aromatic fractions from heavy crude oil.

• 한국진공학회지
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• 제12권2호
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• pp.105-111
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• 2003

Gas cluster 실험에서 reflectron을 mass selector로서 사용 가능한지를 알아보기 위하여 ‘SIMION’ program을 이용하여 computer simulation하였다. Reflectron 내에서 입자의 비행경로는 질량과는 무관하고 에너지에 따라 변한다. 그러나 $(CO_2)n $ gas cluster의 경우, reflecron을 통과한 직후 cluster의 위치는 cluster의 질량에 따라 공간적으로 분포한다는 것을 알았다. 이것은 cluster의 E/m이 일정하기 때문에 나타난 것으로, 이러한 질량의 공간 분해능이 있기 때문에 reflectron을 mass selector로서 이용할 수 있다는 것을 확인하였다 질량 분해능은 cluster size와 입사각에는 무관하고, 입사위치에 비례한다는 것을 알았다. 이것은 reflectron의 크기를 조정함으로서 질량 분해능을 향상시킬 수 있다는 것을 의미한다. 그러므로 gas cluster 실험에서 reflectron은 질량 분해능이 대단히 우수한 mass selector로서 응용할 수 있다는 것을 확인하였다.

• Mass Spectrometry Letters
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• 제7권3호
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• pp.69-73
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• 2016

High-resolution quadrupole-Orbitrap mass spectrometry (HRMS), with high-resolution (> 10,000 at full-width at half-maximum) and accurate mass (< 5 ppm deviation) capabilities, plays an important role in the structural elucidation of drug metabolites in the pharmaceutical industry. ML106, a derivative of imidazobenzimidazole, decreased melanin content and tyrosinase activity in a dose-dependent manner. Here, we investigated the phase 1 metabolic pathway of ML106 using HRMS in human liver microsomes (HLMs) and recombinant cDNA-expressed cytochrome P450 (CYP). After the incubation of ML106 with pooled HLMs and recombinant cDNA-expressed CYP in the presence of NADPH, five phase 1 metabolites, including three mono-hydroxylated metabolites (M1-3) and two di-hydroxylated metabolites (M4 and M5), were investigated. The metabolite structures were postulated by the elucidation of protonated mass spectra using HRMS. The CYP isoforms related to the hydroxylation of ML106 were studied after incubation with recombinant cDNA-expressed CYP. Here, we identified the phase 1 metabolic pathway of ML106 induced by CYP in HLMs.

• Mass Spectrometry Letters
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• 제2권1호
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• pp.1-7
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• 2011

China's rapid economic growth has resulted in significant environmental side effects. Therefore, China has been interested in reducing her dependence on foreign oil and gas by developing technologies needed for hydrogen, in addition to her increasing energy mix of nuclear and renewable energy form, such as solar and wind power. There are three isotopes of hydrogen, i.e. protium (P or H), deuterium (D), and tritium (T). Both deuterium and tritium are important materials in nuclear fuel cycle industry. Tritium is one of the critical radioactive nuclides. Planning for and implementing contamination control as a part of normal operation and maintenance activities is an important function in any hydrogen facility, especially tritium facility. The development of hydrogen isotopes analysis is the key issues in this area. Mass spectrometry (MS) with medium (about 600) and high resolution (> 1,400) is commercially available; however, the routine analysis of hydrogen isotopes is done with low-resolution MS (< 200) in China. This paper summarizes the progress of MS measurement technology for hydrogen isotope abundance in China, focusing on our lab's research program and technical status. An analyzing method has been introduced for accurate measurement of tritium abundance in the H.D.T system by low resolution MAT-253 MS. The quotient of compression ratio coefficient is determined by building up equipment for laboratory-scale preparation of secondary standard gases and by considering the difference in sensitivity between hydrogen isotopes. The results show that the measured value is reproducible within the relative error range of 0.8% for gas samples of different tritium abundance.