• Mass Spectrometry Letters
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• v.9 no.3
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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.

• Publications of The Korean Astronomical Society
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• v.30 no.2
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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.

• Mass Spectrometry Letters
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• v.10 no.3
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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.

• The Bulletin of The Korean Astronomical Society
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• v.39 no.1
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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.

• Korean Journal of Clinical Laboratory Science
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• v.55 no.4
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• pp.244-252
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• 2023

The timeliness and accuracy of test results are crucial factors for clinicians to decide and promptly administer effective and targeted antimicrobial therapy, especially in life-threatening infections or when vital organs and functions, such as sight, are at risk. Further research is needed to refine and optimize matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS)-based assays to obtain accurate and reliable results in the shortest time possible. MALDI-TOF MS-based bacterial identification focuses primarily on techniques for isolating and purifying pathogens from clinical samples, the expansion of spectral libraries, and the upgrading of software. As technology advances, many MALDI-based microbial identification databases and systems have been licensed and put into clinical use. Nevertheless, it is still necessary to develop MALDI-TOF MS-based antimicrobial-resistance analysis for comprehensive clinical microbiology characterization. The important applications of MALDI-TOF MS in clinical research include specific application categories, common analytes, main methods, limitations, and solutions. In order to utilize clinical microbiology laboratories, it is essential to secure expertise through education and training of clinical laboratory scientists, and database construction and experience must be maximized. In the future, MALDI-TOF mass spectrometry is expected to be applied in various fields through the use of more powerful databases.