• Title/Summary/Keyword: 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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    • v.4 no.4
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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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    • v.14 no.5
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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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    • v.4 no.2
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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

  • Kim, Sung-Phil;Choe, Seong-Hyeon;Kim, Hyun-Taek;Lee, Seung-Hwan
    • Proceedings of the Korean Society for Cognitive Science Conference
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    • 2010.05a
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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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Urinary Excretion of Triprolidine in Human (인체 뇨에서의 트리프로리딘 배설)

  • 정병화;엄기동;정봉철;박종세
    • Biomolecules & Therapeutics
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    • v.1 no.2
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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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    • v.28 no.12
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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.

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

  • 홍광준
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.6 no.3
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    • pp.341-350
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    • 1996
  • The CdS thin films are grown on quartz plate by hot wall epitaxy. The source and substrate temperature is $590^{\circ}C$ and $400^{\circ}C$ respectively, and thickness of the film is $2.5\;\mu\textrm{m}$. Using extrapolation method of X-ray diffraction patterns for the CdS thin film, it was found hexagonal structure whose lattice constant a and c were $4.137\;{\AA}$ and $6.713\;{\AA}$, respectively. Hall effect on this sample was measured by the method of van der Pauw and studied on cattirer density and mobility depending on temperature. From hall data, the mobility was likely to be decreased by piezoelectric scattering in the temperature range 30 K to 200 K and by polar optical scattering in the temperature range 200 K to 293 K. In order to explore the applicability as a photoconductive cell we measured the sensitivity ($\gamma$), the ratio of photocurrent to darkcurrent (pc/dc), maximum allowable power dissipation (MAPD), spectral response and response time. The results indicated that for the samples annealed in Cu vapor the photoconductive characteristics are the best. Then we obtained the sensitivity of 0.99, the value of pc/dc of $9.42{\times}10^{6}$, the MAPD of 318 mW, and the rise and decay time of 10 ms and 9 ms, respectively.

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

  • Hong, K.J.;Lee, S.Y.
    • Journal of Sensor Science and Technology
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    • v.7 no.2
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    • pp.131-139
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    • 1998
  • $CdS_{0.67}Se_{0.33}$ single crystal was grown by vertical sublimation method of closed tube physical vapour deposition. The (0001) growth plane of oriented single crystals was confirmed from the back-ref1ection Laue patterns. From the Hall effects by van der Pauw method, the as-grown $CdS_{0.67}Se_{0.33}$ single crystals were found to be n-type semiconductors. The mobility appeared to be decreased by lattice scattering at temperature range from 150K to 293K and by impurity scattering at temperatures ranging from 30K to 150K In order to explore its applicability in photoconductive cells, we measured the ratio of photo-current to dark-current (pc/dc), maximum allowable power dissipation (MAPD), spectral response and response time respectively. The results indicated that for the samples annealed in Cu vapour the photoconductive characteristics are best. We obtained sensitivity of 0.99, the value of pc/de of $1.84{\times}10^{7}$, the MAPD of 323mW and the rise and decay time of 9.3 ms and 9.7 ms, respectively.

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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
    • Journal of the Korean earth science society
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    • v.31 no.5
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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.

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

  • Yoon, Jin;Choi, Jung-Woo;Kim, Ja-Hyun;Kim, Kyung-Hwan
    • Journal of Biomedical Engineering Research
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    • v.29 no.6
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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.