• 제목/요약/키워드: MS/MS spectral patterns

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General Fragmentations of Alkaloids in Electrospray Ionization Tandem Mass Spectrometry

  • Shim, Hee Jung;Lee, Ji Ye;Kim, Byungjoo;Hong, Jongki
    • Mass Spectrometry Letters
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    • 제4권4호
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    • pp.79-82
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    • 2013
  • Various types of alkaloids observed in several herbal medicines were analyzed by electrospray ionization tandem mass spectrometry in positive ion mode. In the present study, MS/MS spectralpatterns were investigated for eight-types of alkaloids (aporpine, protoberberine, tetrahydroprotoberberine, benzylisoquinoline, protopine, phthalide, morpine, and bisbenzylisoquinoline). For aporpine- and protoberberine-type alkaloids, main fragmentations occurred at substituted groups on rigid ring structures, not showing ring fusion. Interesting fragmentations due to iminolization and retro-Diels-Alder (RDA) reaction were observed in MS/MS spectra of protopine- and tetrahydroprotobereberine-type alkaloids. Also, several types of fragmentations such as inductive cleavage and ${\alpha}$-cleavage, or bond cleavage between two ring structures were observed depending on their structural characteristics. These fragmentation patterns are expected to allow instant classification of the specific alkaloid type in various MS/MS spectra of alkaloids.

Utility of Serum Peptidome Patterns of Esophageal Squamous Cell Carcinoma Patients for Comprehensive Treatment

  • Wan, Qing-Lian;Hou, Xiang-Sheng;Zhao, Guang
    • Asian Pacific Journal of Cancer Prevention
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    • 제14권5호
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    • pp.2919-2923
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    • 2013
  • Esophageal cancer (EC) is one of the most common malignant tumors, and the incidence of esophageal squamous cell carcinoma (ESCC) is highest in China. Early diagnosis and effective monitoring are keys to comprehensive treatment and discovering tumor metastases and recurrence in time. The aim of this study was to confirm serum peptidome pattern utility for diagnosis of ESCC, and assessment of operation success, postoperative chemotherapy results, tumor metastasis and recurrence. Serum samples were collected from 61 patients treated with surgery and chemotherapy and 20 healthy individuals. Spectral data generated with weak cationic-exchanger magnetic beads (WCX-MB) and MALDI-TOF MS by a support vector machine (SVM), were used to construct diagnostic models and system training as potential biomarkers. A pattern consisting of 11 protein peaks, separated ESCC (m/z 650.75), operated (m/z 676.61, 786.1, 786.58), postoperative chemotherapy (m/z 622.77, 650.66, 676.46) and tumor metastasis and recurrence (m/z 622.63, 650.56, 690.77, 676.12) from the healthy individuals with a sensitivity of 100.0% and a specificity of 100.0%. These results suggested that MALDITOF MS combined with MB separation yields significantly higher sensitivity and specificity for the detection of serum protein in patients with EC patients treated with surgery and chemotherapy.

Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART)

  • Motiur Rahman, A.F.M.;Attwa, Mohamed W.;Ahmad, Pervez;Baseeruddin, Mohammad;Kadi, Adnan A.
    • Mass Spectrometry Letters
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    • 제4권2호
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    • pp.30-33
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    • 2013
  • Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks $[M]^{{\cdot}+}$ corresponding to the structures. Multistage mass spectral data $MS^n$ ($MS^2$ and $MS^3$) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical ($Ph^{\cdot}$) by radical initiated ${\alpha}$-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = $CH^{\cdot}$). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.

The Analysis of Gamma Oscillation and Phase-Synchronization for Memory Retrieval Tasks

  • 김성필;최승현;김현택;이승환
    • 한국인지과학회:학술대회논문집
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    • 한국인지과학회 2010년도 춘계학술대회
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    • pp.37-41
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    • 2010
  • The previous investigations of electroencephalogram (EEG) activity in the memory retrieval tasks demonstrated that event-related potentials (ERP) during recollection showed different durations and the peak levels from those without recollection. However, it has been unknown that recollection in memory retrieval also modulates high-frequency brain rhythms as well as establishes large-scale synchronization across different cortical areas. In this study, we examined the spectral components of the EEG signals, especially the gamma bands (20-80Hz), measured during the memory retrieval tasks. Specifically, we focused on two major spectral components: first, we evaluated the temporal patterns of the power spectral density before and after the onset of the memory retrieval task; second, we estimated phase synchrony between all possible pairs of EEG channels to evaluate large-scale synchronization. Fourteen healthy subjects performed the memory retrieval task in the virtual reality environment where they selected whether or not t he present item was seen in the previous training period. When the subjects viewed the unseen items, the middle gamma power (40-60Hz) appeared to increase 200-500ms after stimulus onset while the low gamma power (20Hz) was suppressed all the way through the post-stimulus period 150ms after onset. The degree of phase synchronization in this low gamma level, however, increased when the subjects fetched the item from memory. This suggests that phase synchrony analysis might reveal different aspects of the memory retrieval process than the gamma power, providing additional information to the inference on the brain dynamics during memory retrieval.

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인체 뇨에서의 트리프로리딘 배설 (Urinary Excretion of Triprolidine in Human)

  • 정병화;엄기동;정봉철;박종세
    • Biomolecules & Therapeutics
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    • 제1권2호
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    • pp.143-150
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    • 1993
  • The metabolic profile of triprolidine, 2-[(4-methylphenyl)-3-(1-pyrrolidinyl-1-propenyl)] pyridine, was determined. Urinary extracts obtained with enzyme hydrolysis were derivatized with MSTFA/TMSCl (N-methyl-N-trimethylsilyl trifluoroacetamide/trimethylchlorosilane) and analyzed by GC/MSD. In human urine, which were obtained after the oral administration with triprolidine, hydroxymethyltriprolidine, triprolidine carboxylic acid, oxotriprolidine carboxylic acid and unchanged triprolidine were detected. The maximum urinary excretion rate of triprolidine and hydroxymethyltriprolidine which were extracted from human urine was at 2 to 4 hours after the drug administration. Triprolidine and hydroxymethyl triprolidine were identified by comparison with authentic standards In chromatographic and mass spectral properties. Triprolidine carboxylic acid was detected as a major metabolite of its metabolites in the urine. Oxotriprolidine carboxylic acid and triprolidine carboxylic acid were tentatively identified by the interpretation of its mass spectral patterns. These data suggest that in human, hydroxylation of either the benzyl or pyrrolidine ring can occur during triprolidine elimination.

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Characterization of Synthetic Polyamides by MALDI-TOF Mass Spectrometry

  • Choi, Hae-Young;Choe, Eun-Kyung;Yang, Eun-Kyung;Jang, Sung-Woo;Park, Chan-Ryang
    • Bulletin of the Korean Chemical Society
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    • 제28권12호
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    • pp.2354-2358
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    • 2007
  • MALDI-TOF-MS technique was applied to obtain structural and compositional information of synthetic polyamides, Nylon6 and Nylon66. Mass spectra of both the original and the hydrolyzed polyamide samples were analyzed using the self calibration method as well as the internal calibration method with the standard materials of known masses. The MALDI-TOF mass spectra of Nylon6 samples showed the presence of protonated, sodiated, and potassiated ions that were assigned to cyclic and NH2/COOH terminated linear oligomers. From the MALDI-TOF mass spectra of Nylon66 samples, the potassiated linear oligomers with three different end groups are identified as well as the cyclic oligomers, i.e., NH2/COOH terminated oligomers, NH2/NH2 terminated oligomers, and COOH/COOH terminated oligomers. Full characterization of the molecular species and end groups present in the polyamide samples has been achieved, and also the changes in mass spectral patterns after the hydrolysis of the samples are presented.

HWE 방법에 의한 CdS 박막의 성장과 광전도 특성 (Growth of CdS thin film using hot wall epitaxy method and their photoconductive characteristics)

  • 홍광준
    • 한국결정성장학회지
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    • 제6권3호
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    • pp.341-350
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    • 1996
  • HWE 방법으로 CdS 박막을 quartz plate 위에 성장하였다. CdS 박막을 성장할 때 증발원과 기판의 온도를 각각 $590^{\circ}C$, $400^{\circ}C$로 하였고 성장된 두께는 $2.5\;\mu\textrm{m}$였다. 성장된 CdS 박막의 X-선 회절 무늬로부터 외삽법에 의해 구한 a와 c는 각각 $4.137\;{\AA}$$6.713\;{\AA}$인 육방정계임을 알았다. Van der Pauw 방법으로 Hall 효과를 측정하여 운반자 농도와 이동도의 온도 의존성을 연구하였다. 이동도는 30 K에서 200 K까지는 piezoelectric 산란에 기인하고, 200 K에서 293 K까지는 polar optical 산란에 의하여 감소하였다. 광전도 셀의 특성으로 spectral response, 최대 허용 소비전력 (MAPD), 광전류와 암전류비 (pc/dc), 및 응답시간을 측정하였다. Cu 증기 분위기에서 열처리한 광전도 셀의 경우 ${\gamma}=0.99,\;pc/dc=9.42{\times}10^{6}$, MAPD : 318 mW, rise time 10 ms, decay time 9 ms로 가장 좋은 광전도 특성을 얻었다.

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승화법에 의한 $CdS_{0.67}Se_{0.33}$ 단결정 성장과 광전도 특성 (Growth of $CdS_{0.67}Se_{0.33}$ single crystal by sublimation method and their photoconductive characteristics)

  • 홍광준;이상열
    • 센서학회지
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    • 제7권2호
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    • pp.131-139
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    • 1998
  • $CdS_{0.67}Se_{0.33}$ 단결정을 승화법으로 성장시켜 Laue 배면 반사법 (back refection Laue method)으로 결정성과 면의 방향이 (0001)임을 알아보았고, EDS(Energy Dispersive X-ray Spectrometer)를 이용하여 소성비가 $CdS_{0.67}Se_{0.33}$ 임을 확인하였다. Van der Pauw 법으로 Hall 효과를 측정하여 운반자 농도(carrier density)와 이동도(mobility)의 온도의존성을 연구하였으며, 이동도는 30 K에서 150 K까지는 불순물에 의한 산란 (impurity scattering)에 기인하고 있으며, 150 K에서 293 K까지는 격자 산란 (lattice scattering)에 따라 감소하였다. 또한 운반자 농도의 In n 대 (1/T)에서 구한 활성화 에너지는 0.21 eV였다. 광전도 셀(cell)의 특성으로 spectral response, 최대 허용 소비전력(maximum allowable power dissipation: MAPD), 광전류와 암전류(photocurrent/darkcurrent: pc/dc) 및 응답시간을 측정하였다. Cu 증기분위기에서 열처리한 광전도 셀의 경우 ${\gamma}$ = 0.99, pc/dc = $1.84{\times}10^{7}$, MAPD : 323mW, rise time : 9.3ms, decay time : 9.7ms로 가장 좋은 특성을 얻었다.

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Wind Vector Retrieval from SIR-C SAR Data off the East Coast of Korea

  • Kim, Tai-Sung;Park, Kyung-Ae;Moon, Woo-Il
    • 한국지구과학회지
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    • 제31권5호
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    • pp.475-487
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    • 2010
  • Sea surface wind field was retrieved from high-resolution SIR-C SAR data by using CMOD algorithms off the east coast of Korea. In order to extract wind direction information from SAR data, a two-dimensional spectral analysis method was applied to the normalized radar cross section of the image. An $180^{\circ}$-ambiguity problem in the determination of wind direction was solved by selecting a direction nearest to the wind vector of the ECMWF reanalysis data. Comparison of the wind retrieval patterns with the ECMWF and NCEP/NCAR dataset showed RMS errors in the range of 1.30 to $1.72\;ms^{-1}$. In contrast, comparison of wind directions revealed large errors of greater than $60^{\circ}$, which is enormously higher than the permitted limit of about $20^{\circ}$ for satellite scatterometer winds. Compared with wind speed results from different algorithms, wind vectors based on commonly-used CMOD4 algorithm showed good agreement with those derived by other algorithms such as CMOD_IFR2 and CMOD5, particularly at medium winds from 4 to $8\;ms^{-1}$. However, apparent discrepancy appeared at low winds (< $4\;ms^{-1}$). This study also addressed an importance of accurate wind direction data to improve the accuracy of wind speed retrieval and discussed potential causes of wind retrieval errors from SAR data.

한글 및 영어 단어의 시각적 인지 시 N400 사건관련 뇌전위 및 감마대역 활성화 (N400 Event-related Potential and Gamma Band Activities during Visual Perception of Korean/English Words)

  • 윤진;최정우;김자현;김경환
    • 대한의용생체공학회:의공학회지
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    • 제29권6호
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    • pp.477-483
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    • 2008
  • The observations of difference and similarity in brain activities involved in processing different languages have fundamental importance in cognitive neuroscience. The purpose of this study was to investigate the difference and similarity in temporal brain activation patterns due to the language difference during visual perception of Korean and English words under priming. Especially, we tried to find the difference in evoked spectral power in gamma-band, which is known to reflect feature binding. The stimulation was visually presented as word pairs belonging to same or different categories so that N400 event-related potential(ERP) was evoked. Average ERP analysis and spectral analysis of gamma-band activity(GBA) were performed on 12 normal Korean subjects. Several ERP components such as P1, N1, N400, and P600 could be identified consistently, and the differences in N1, N400, and P600 were observed. From the spectral analysis, we found that the evoked GBA(eGBA) was significantly larger for English at ${\sim}100$ ms poststimulus. The latency of the eGBA was also considerably delayed for English. Overall, the results on the ERP components and eGBA analyses seem to be commensurate with subjects' familiarity of each language, and the difficulty of perceiving words of each language. The methods of this study can also be applied for clinical purposes considering that the language-related processing can be greatly altered for the patients with neurological or psychiatric diseases.