• 제목/요약/키워드: mass spectral libraries

검색결과 5건 처리시간 0.01초

Identification Performance of Low-Molecular Compounds by Searching Tandem Mass Spectral Libraries with Simple Peak Matching

  • Milman, Boris L.;Zhurkovich, Inna K.
    • Mass Spectrometry Letters
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    • 제9권3호
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    • pp.73-76
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    • 2018
  • The number of matched peaks (NMP) is estimated as the spectral similarity measure in tandem mass spectral library searches of small molecules. In the high resolution mode, NMP provides the same reliable identification as in the case of a common dot-product function. Corresponding true positive rates are ($94{\pm}3$) % and ($96{\pm}3$) %, respectively.

ON THE IMPORTANCE OF USING APPROPRIATE SPECTRAL MODELS TO DERIVE PHYSICAL PROPERTIES OF GALAXIES

  • PACIFICI, CAMILLA;DA CUNHA, ELISABETE;CHARLOT, STEPHANE;YI, SUKYOUNG
    • 천문학논총
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    • 제30권2호
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    • pp.535-537
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    • 2015
  • Interpreting ultraviolet-to-infrared (UV-to-IR) observations of galaxies in terms of constraints on physical parameters-such as stellar mass ($M_{\ast}$) and star formation rate (SFR)-requires spectral synthesis modelling. We investigate how increasing the level of sophistication of the standard simplifying assumptions of such models can improve estimates of galaxy physical parameters. To achieve this, we compile a sample of 1048 galaxies at redshifts 0.7 < z < 2.8 with accurate photometry at rest-frame UV to near-IR wavelengths from the 3D-HST Survey. We compare the spectral energy distributions of these galaxies with those from different model spectral libraries to derive estimates of the physical parameters. We find that spectral libraries including sophisticated descriptions of galaxy star formation histories (SFHs) and prescriptions for attenuation by dust and nebular emission provide a much better representation of the observations than 'classical' spectral libraries, in which galaxy SFHs are assumed to be exponentially declining functions of time, associated with a simple prescription for dust attenuation free of nebular emission. As a result, for the galaxies in our sample, $M_{\ast}$ derived using classical spectral libraries tends to be systematically overestimated and SFRs systematically underestimated relative to the values derived adopting a more realistic spectral library. We conclude that the sophisticated approach considered here is required to reliably interpret fundamental diagnostics of galaxy evolution.

Isomer Differentiation Using in silico MS2 Spectra. A Case Study for the CFM-ID Mass Spectrum Predictor

  • Milman, Boris L.;Ostrovidova, Ekaterina V.;Zhurkovich, Inna K.
    • Mass Spectrometry Letters
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    • 제10권3호
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    • pp.93-101
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    • 2019
  • Algorithms and software for predicting tandem mass spectra have been developed in recent years. In this work, we explore how distinct in silico $MS^2$ spectra are predicted for isomers, i.e. compounds having the same formula and similar molecular structures, to differentiate between them. We used the CFM-ID 2.0/3.0 predictor with regard to (a) test compounds, whose experimental mass spectra had been randomly sampled from the MassBank of North America (MoNA) collection, and to (b) the most widespread isomers of test compounds searched in the PubChem database. In the first validation test, in silico mass spectra constitute a reference library, and library searches are performed for test experimental spectra of "unknowns". The searches led to the true positive rate (TPR) of ($46-48{\pm}10$)%. In the second test, in silico and experimental spectra were interchanged and this resulted in a TPR of ($58{\pm}10$)%. There were no significant differences between results obtained with different metrics of spectral similarity and predictor versions. In a comparison of test compounds vs. their isomers, a statistically significant correlation between mass spectral data and structural features was observed. The TPR values obtained should be regarded as reasonable results for predicting tandem mass spectra of related chemical structures.

Galactic Globular and Open Clusters in the Sloan Digital Sky Survey. III. Horizontal Branch Stars and Mass Loss in NGC 6791

  • Yu, Hyein;An, Deokkeun;Chung, Chul
    • 천문학회보
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    • 제39권1호
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    • pp.61.2-61.2
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    • 2014
  • We present a set of fiducial sequences of horizontal-branch stars in bright Galactic globular clusters, which have previously been observed in the Sloan Digital Sky Survey (SDSS). We derive fiducial lines on color-magnitude diagrams in multiple color indices (g - r, g - i, g - z, and u - g), after rejecting foreground and background objects as well as RR Lyrae variables utilizing these color indices. We compare our fiducial sequences with model predictions from Yonsei-Yale evolutionary tracks and BaSel spectral libraries, and find a satisfactory agreement between them in terms of their color-magnitude relations, except in u - g. We also compare theoretical models to color-magnitude diagrams of two open clusters (M67 and NGC 6791). Based on our best available cluster distance and reddening, we find that the mass of red clump (RC) stars in NGC 6791 is about a factor of two smaller than an earlier estimate from the application of asteroseismic scaling relations for solar-like oscillations. The smaller RC mass implies an enhanced mass loss along the red giant branch, which is in accordance with other compelling evidences found in this metal-rich system. Our estimated luminosity of RC stars in NGC 6791 is about 0.2 mag fainter than in earlier investigations based on solar-metallicity calibrations, and results in ~10% reduction in the RC-based distance estimation, when applied to metal-rich systems such as in the Galactic bulge.

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Matrix-assisted Laser Desorption/Ionization Time-of-flight Mass Spectrometry의 활용 (Application of Matrix-assisted Laser Desorption/Ionization Time-of-flight Mass Spectrometry)

  • 권필승
    • 대한임상검사과학회지
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    • 제55권4호
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    • pp.244-252
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    • 2023
  • 검사 결과의 적시성과 정확성은 임상의가 특히 생명을 위협하는 감염이나 시력과 같은 중요한 장기 및 기능이 위험에 처한 경우, 효과적이고 표적화된 항균 요법을 결정하고 즉시 시행하는데 중요한 요소이다. 가능한 한 최단 시간 내에 정확하고 신뢰할 수 있는 결과를 얻기 위해 matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) 질량분석기기반 분석을 개선하고 최적화하기 위한 추가 연구 노력이 이루어져야 할 것이다. MALDI-TOF 질량분석기기반 세균 식별은 주로 임상 시료에서 병원체를 분리 및 정제하는 기술, 스펙트럼 라이브러리 확장 및 소프트웨어의 업그레이드에 중점을 둔다. 기술이 발전함에 따라 많은 MALDI-TOF 기반 미생물 동정 데이터베이스 및 시스템이 허가되어 임상에 사용되고 있다. 그럼에도 불구하고, 포괄적인 임상미생물의 특성화를 위해서는 MALDI-TOF 질량분석기 기반 항균제 내성 분석을 개발하는 것이 여전히 필요하다. 특정 적용 범주, 일반적인 분석물질, 주요 수행방법, 한계 및 해결점을 포함하여 임상 연구에서 MALDI-TOF의 적용이 중요하다. 임상 미생물 검사실에서 업무 활용을 위해 임상병리사들의 교육 및 훈련을 통한 전문성 확보가 필수적이며, 데이터베이스 구축과 경험을 극대화하여야 할 것이다. 향후 더 강력한 데이터베이스의 활용으로 다양한 분야에서 MALDI-TOF 질량분석기가 적용될 것으로 보인다.