• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.309-314
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• 2002

The ablation dynamics and cluster formation of $C_n^+$ ions ejected from 355 nm laser ablation of a graphite target in vacuum are investigated using a reflectron time-of-flight (RTOF) mass spectrometer. At low laser fluence, odd-numbered cluster ions with $3{\leq}n{\leq}15$ are predominantly produced. Increasing the laser fluence shifts the maximum size distribution towards small cluster ions, implying the fragmentation of larger clusters within the hot plume. The temporal evolution of $C_n^+$ ions was measured by varying the delay time of the ion extraction pulse with respect to the laser irradiation, providing significant information on the characteristics of the ablated plume. Above a laser fluence of $0.2J/cm^2$ , large cluster ions ($n{\geq}30$) are produced at relatively long delay times, indicating that atoms or small carbon clusters aggregate during plume propagation. The dependence of the intensity of ablated $C_n^+$ ions on delay time after laser irradiation shows that the most probable velocity of each cluster ion decreases with cluster size.

• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2005년도 BIOINFO 2005
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• pp.313-318
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• 2005

Estimating the reliability of protein-protein interaction data sets obtained by high-throughput technologies such as yeast two-hybrid assays and mass spectrometry is of great importance. We develop a maximum likelihood estimation method that uses both protein localization and gene expression data to estimate the reliability of protein interaction data sets. By integrating protein localization data and gene expression data, we can obtain more accurate estimates of the reliability of various interaction data sets. We apply the method to protein physical interaction data sets and protein complex data sets. The reliability of the yeast two-hybrid interactions by Ito et al. (2001) is 27%, and that by Uetz et at.(2000) is 68%. The reliability of the protein complex data sets using tandem affinity purification-mass spec-trometry (TAP) by Gavin et at. (2002) is 45%, and that using high-throughput mass spectrometric protein complex identification (HMS-PCI) by Ho et al. (2002) is 20%. The method is general and can be applied to analyze any protein interaction data sets.

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3659-3664
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• 2013

Eight representative explosives (ammonium perchlorate (AP), ammonium nitrate (AN), trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), cyclonite (RDX), cyclotetramethylenetetranitramine (HMX), pentaerythritol tetranitrate (PETN), and hexanitrostilbene (HNS)) were comprehensively analyzed with an ion trap mass spectrometer in negative ion mode using direct infusion electrospray ionization. MS/MS experiments were performed to generate fragment ions from the major parent ion of each explosive. Explosives in salt forms such as AP or AN provided cluster parent ions with their own anions. Explosives with an aromatic ring were observed as either $[M-H]^-$ for TNT and DNT or $[M]^{{\cdot}-}$ for HNS, while explosives without an aromatic ring such as RDX, HMX, and PETN were detected as an adduct ion with a formate anion, i.e., $[M+HCOO]^-$. These findings provide a guideline for the rapid and accurate detection of explosives once portable MS instruments become more readily available.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.933-937
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• 2014

A derivative of Mycobacterium bovis Bacillus Calmette-Guerin (BCG) has been used for the preparation of tuberculosis vaccines. To establish a Korean tuberculosis vaccine derived from BCG-Pasteur $1173P_2$, genome sequencing of a BCG-Korea strain was completed by Joung and coworkers. A comparison analysis of the genome sequences of the BCG-Pasteur $1173P_2$ and BCG-Korea strains showed marginal increases in the total genome length (~0.05%) and the number of genes (~4%) in the BCG-Korea genome. However, how the genomic changes affect the BCG-Korea protein expression levels remains unknown. Here, we provide evidence of the proteomic alterations in the BCG-Korea strain by using a SWATH-based mass spectrometric approach (Sequential Window Acquisition of all THeoretical mass spectra). Twenty BCG proteins were selected by top-rank identification in the BCG proteome analysis and the proteins were quantified by the SWATH method. Thirteen of 20 proteins showing significant changes were enough to discriminate between the two BCG proteomes. The SWATH method is very straightforward and provides a promising approach owing to its strong reliability and reproducibility during the proteomic analysis.

• 한국대기환경학회지
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• 제8권3호
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• pp.155-161
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• 1992

A simple, fast yet sensitive method is described for the determination of fifty elements in coal by inductively coupled plasma mass spectrometry. The method involves complete dissolution of coal with mixed acid $(HNO_3, HF, HClO_4)$ in hish pressure Teflon bomb and subsequent inductively coupled plasma mass spectrometric(ICP-MS) measurement. The accuracy of the method, being evaluated by the analysis of NIST SRMs (1632a, 1632b) is better than 20% RSD for most elements. The limits of detection defined by two times $\sigma$ (standard deviation of operational blank) are in order of sub-ppm to ppm, which are low enough to quantitate most elements. However, the determiantions for few elements such as V, As, Se are severely interfered by molecular ions such that their accurate determiantions are not possible. Analytical results for twentyon coals from eight countries including six ones world major coal producing, Korea, Japan, China, I.C.S., U.S.A., Canada, Australia, and South Africa are presented. While the results for major elements agree well with the existing ones, those for a few trace elements disagree considerably. The existing values are considerably higher. It is not possible to judge which are more accurate. However, the exisisting values are more likely to be errorous inasmuch as they are obtained without using high purity reagents and clean laboratory techniques.

• Archives of Pharmacal Research
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• 제27권12호
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• pp.1202-1206
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• 2004

A rapid, sensitive and selective liquid chromatography-tandem mass spectrometric (LC-MS/ MS) method for the determination of lithospermic acid B (LSB) in rat serum was developed. LSB and internal standard, 7-hydroxy-3-phenyl-chromen-4-one (HPC) were extracted from rat serum with methyl-tert-butyl ether at acidic pH and analyzed on a Luna $C_8$ column with the mobile phase of acetonitrile-ammonium formate (10 mM, pH 6.5) (50:50, v/v). The analytes were detected using a negative electrospray ionization tandem mass spectrometry in the multiple- reaction-monitoring mode. The standard curve was linear $(r^2 = 0.997)$ over the concentration range of 10.0-500 ng/mL. The coefficient of variation and relative error for intra- and interassay at three QC levels were 1.1~6.2% and -10.3~-2.7%, respectively. The recovery of LSB from serum sample ranged from 73.2 to 79.5%, with that of HPC (internal standard) being 75.1 %. The lower limit of quantification for LSB was 10 ng/mL using 50 ${\mu}L$ of serum sample.

• Bulletin of the Korean Chemical Society
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• 제31권1호
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• pp.92-99
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• 2010

Photoexcitation of a precursor ion inside a cell floated at high voltage installed in a tandem time-of-flight (TOF) mass spectrometer provides triple tandem mass spectrometric information and allows kinetic and mechanistic studies. In this work, the factors affecting, or downgrading, the performance of the technique were identified. Ion-optical and computational analyses showed that an optimum instrument could be designed by utilizing a reflectron with linear-plus-quadratic potential inside. Theoretical predictions were confirmed by tests with instruments built with different ion-optical layout. With optimized instruments, masses of intermediate ions in the consecutive dissociation of a precursor ion could be determined with the maximum error of $\pm5$ Da. We also observed excellent agreement in dynamical parameters (critical energy and entropy) for the dissociation of a model peptide ion determined by instruments with different ion-optical layout operated under optimum conditions. This suggests that these parameters can be determined reliably by the kinetic method developed previously when properly designed and operated tandem TOF instruments are used.

• 분석과학
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• 제35권5호
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• pp.197-204
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• 2022

A gas chromatography-mass spectrometric method was developed for determining 5-chloro-2-methyl-4-isothiazolin-3-one (CMIT), 2-methyl-4-isothiazolin-3-one (MIT), 1,2-benzisothiazolin-3-one (BIT), 3-iodo-2-propynyl butyl carbamic acid (IPBC) and benzoic acid (BA) in household products. A 0.5 g sample was placed in a test tube and dissolved with 5 mL water, 5 mL methylene chloride and 1.0 mL methanol. The solution was extracted by ultra-sonication followed by mechanical shaking using the salting out effect. Under the established condition, the lowest quantification limits of all analytes were in the range of 0.04-10 mg/kg and their relative standard deviations were less than 8.0 %. The method was used to analyze 10 household products. As a result of analyzing 10 household products, MIT was detected in the range of 1.2-3.5 mg/kg in 3 of 10 samples, CMIT was detected in the range of 2.6-8.2 mg/kg in 3 of 10 samples, and BA was detected in the range of 5.0-15 mg/kg in 4 of 10 samples. Meanwhile, BIT and IPBC were not detected in any of the products. It has been shown that this method can be used for the simultaneous determination of biocides with various physical and chemical properties in household products.

• 분석과학
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• 제20권4호
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• pp.315-322
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• 2007

본 연구는 1명의 건강한 성인남자로부터 pseudoephedrine과 dextromethorphan 복합제제 약물의 복용 후 24시간동안 배설된 소변을 채취하여 이들 혼합약물의 대사과정과 배설에 관하여 연구를 수행 하였다. 소변 중에 약물과 대사체의 검출을 위하여 가수분해 및 추출과정을 거쳐 MSTFA와 MBTFA를 사용하여 유도체 반응 후 GC-MS로 동시 분석을 수행하였다. 각 대사체는 질량스펙트럼의 해석을 통하여 구조가 규명되었으며, 시간에 따른 모 약물과 대사체의 배설율을 조사하였으며, 본 실험결과로부터 pseudoephedrine과 dextromethorphan의 체내 대사경로를 제안하였다.

• Mass Spectrometry Letters
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• 제15권1호
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• pp.54-61
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• 2024

An improved voltage modulation method (VMM) was used to control the heat release and adsorption properties of the adsorbent. In this work, the voltage and flux modulation methods were considered under unified experimental conditions of dissociative surface ionization (SI) of polyatomic organic molecules, the criteria were found when under VMM conditions the current relaxation of SI carries information about the kinetic properties of thermal desorption of ionizable dissociation particles arriving on the surface of polyatomic molecules. Conditions were found under which the relaxation of the ionic current in the flux modulation method is determined by the kinetics of the heterogeneous dissociation reaction of the original polyatomic molecules. The values of the thermal desorption rate constant K⁺ and the activation energy E⁺ obtained with VMM for desorption of (CH₃)₂NCH⁺₂ ions with m/z 58 by adsorption of imipramine and amitriptyline molecules agree well with each other and with the results for the desorption of the same ions by adsorption of other molecules. This confirms one of the basic conditions for the equilibrium process SI - the a degree (β coefficient) of the same particles SI on the same emitter surface is the same and does not depend on the way these particles are formed on the emitter surface.