• 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.

• Bulletin of the Korean Chemical Society
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• 제35권8호
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• pp.2585-2588
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• 2014

• Bulletin of the Korean Chemical Society
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• 제10권2호
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• pp.167-171
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• 1989

Kinetic energy release in the fragmentation of tert-butylbenzene molecular ion was investigated using mass-analyzed ion kinetic energy spectrometry. Method to estimate kinetic energy release distribution (KERD) from experimental peak shape has been explained. Experimental KERD was in good agreement with the calculated result using phase space theory. Effect of dynamical constraint was found to be important.

• 천문학회지
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• 제38권2호
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• pp.279-282
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• 2005

We report the millimeter-wave radio observations of molecular cloud cores in Taurus. The observed line is the $N_2H^+$ emission at 93 GHz, which is known to be less affected by molecular depletion. We have compared starless (IRAS-less) cores with star-forming cores. We found that there is no large difference between starless and star-forming cores, in core radius, linewidth, core mass, and radial intensity profile. Our result is in contrast with the result obtained by using a popular molecular line, in which starless cores are larger and less condensed. We suggest that different results mainly come from whether the employed molecular line is affected by depletion or not. We made a virial analysis, and found that both starless and star-forming cores are not far from the critical equilibrium state, in Taurus. Together with the fact that Taurus cores are almost thermally supported, we conclude that starless Taurus cores evolve to star formation without dissipating turbulence. The critical equilibrium state in the virial analysis corresponds to the critical Bonnor-Ebert sphere in the Bonnor-Ebert analysis (Nakano 1998). It is suggested that the initial condition of the molecular cloud cores/globules for star formation is close to the critical equilibrium state/critical Bonnor-Ebert sphere, in the low-mass star forming region.

• 천문학회지
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• 제27권2호
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• pp.147-158
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• 1994

We have obtained high angular resolution maps toward a molecular cloud associated with an HII region S287 and studied mainly kinematics of the cloud. The mapped region is 1.5 square degrees of the cloud in the transitions of $^{12}CO\;and\;^{13}CO\;J=1-0$. We have obtained a large range of mass, $1.3\times10^4M_\bigodot$, to $7.2{\times}10^4M_{\bigodot}$ using three different techniques. The S287 molecular cloud shows a very disturbed feature: velocity field of the cloud is very complicated, and shows several arcs. It is likely that the southern part of cloud is being disrupted by the residing HII region S287 as well as external perturbing sources. In addition to an HII region, five bipolar outflows are also disturbing the molecular gas significantly. The large virial mass and the very disturbed morphology may reflect the fact that the cloud is not gravitationally bound system, as in the case of nearby giant molecular cloud (GMC) G216-2.5. The several arc structure and the filamentary features are possibly driven by external strong stellar winds, and these external perturbing sources may be driving the second generation of star-forming activities on the edges of the S287 molecular cloud.

• BMB Reports
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• 제37권4호
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• pp.460-465
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• 2004

A 16-residue polypeptide model with the sequence acetyl-YALSLAATLLKEAASL-OH was derived by rational de novo peptide design. The designed sequence consists of amino acid residues with high propensity to adopt an alpha helical conformation, and sequential order was arranged to produce an amphipathic surface. The designed sequence was chemically synthesized using a solid-phase method and the polypeptide was purified by reverse-phase liquid chromatography. Molecular mass analysis by electro-spray ionization mass spectroscopy confirmed the correct designed sequence. Structural characterization by circular dichroism spectroscopy demonstrated that the peptide adopts the expected alpha helical conformation in 50% acetonitrile solution. Liposome binding assay using Small Unilamellar Vesicle (SUV) showed a marked release of entrapped glucose by interaction between the lipid membrane and the tested peptide. The channel-forming activity of the peptide was revealed by a planar lipid bilayer experiment. An analysis of the conducting current at various applied potentials suggested that the peptide forms a cationic ion channel with an intrinsic conductance of 188 pS. These results demonstrate that a simple rational de novo design can be successfully employed to create short peptides with desired structures and functions.

• Bulletin of the Korean Chemical Society
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• 제32권7호
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• pp.2418-2422
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• 2011

The enantiomeric separation of lactic acid for its absolute configuration has become important task for understanding its biological origin and metabolic process involved in the formation of lactic acid. It involves the conversion of enantiomers as diastereomeric O-pentafluoropropionylated (S)-(+)-3-methyl-2-butyl ester and the direct separation by gas chromatography-mass spectrometry on a achiral capillary column. The (R)- and (S)-lactic acids were completely separated with a high resolution of 1.9. The newly developed method showed good linearity (r ${\geq}$ 0.999), precision (% relative standard deviation = 3.4-6.2), and accuracy (% relative error = -7.7-1.4) with the detection limit of 0.011 ${\mu}g/mL$. When the method was applied to determine the absolute configuration of lactic acid in Lactobacillus delbrueckii subsp. lactis 304 (LAB 304), the composition (%) of (R)-lactic acid in the cell pellet and in the culture medium were $89.0{\pm}0.1$ and $78.2{\pm}0.4$, respectively. Thus, it was verified that the present method is useful for the identification and composition test of lactic enantiomers in microorganisms.

• Mass Spectrometry Letters
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• 제2권2호
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• pp.41-44
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• 2011

Molecular compositions of two types of heavy oil were studied using positive atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Vacuum gas oil (VGO) was generated from vacuum distillation of atmospheric residual oil (AR), and slurry oil (SLO) was generated from catalytic cracking of AR. These heavy oils have similar boiling point ranges in the range of 210-$650^{\circ}C$, but they showed different mass ranges and double-bond equivalent (DBE) distributions. Using DBE and carbon number distributions, aromatic ring distributions, and the extent of alkyl side chains were estimated. In addition to the main aromatic hydrocarbon compounds, those containing sulfur, nitrogen, and oxygen heteroatoms were identified using simple sample preparation and ultra-high mass resolution FT-ICR MS analysis. VGO is primarily composed of mono- and di-aromatic hydrocarbons as well as sulfur-containing hydrocarbons, whereas SLO contained mainly polyaromatic hydrocarbons and sulfur-containing hydrocarbons. Both heavy oils contain polyaromatic nitrogen components. SLO inludes shorter aromatic alkyl side chains than VGO. This study demonstrates that APPI FT-ICR MS is useful for molecular composition characterization of petroleum heavy oils obtained from different refining processes.

• 한국축산식품학회지
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• 제44권3호
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• pp.651-661
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• 2024

Chicken broth has a taste of umami, and the stewing time has an important effect on the quality of chicken broth, but there are fewer studies on the control of the stewing time. Based on this, the study was conducted to analyze the effects of different stewing times on the sensory, small molecular metabolites, free fatty acids, and volatile flavor compounds contents in chicken broths by liquid chromatography-quadrupole/time-of-flight mass spectrometry, gas chromatography-mass spectrometry, headspace solid-phase microextraction, and gas chromatography-mass spectrometry. Eighty-nine small molecular metabolites, 15 free fatty acids, and 86 volatile flavor compounds were detected. Palmitic and stearic acids were the more abundant fatty acids, and aldehydes were the main volatile flavor compounds. The study found that chicken broth had the best sensory evaluation, the highest content of taste components, and the richest content of volatile flavor components when the stewing time was 2.5 h. This study investigated the effect of stewing time on the quality of chicken broth to provide scientific and theoretical guidance for developing and utilizing local chicken.

• 천문학회지
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• 제38권2호
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• pp.33-41
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• 2005

We have conducted observations toward the molecular cloud associated with the H II region Sh 156 in $^{13}CO$(J = 1-0), $C^{18}O$(J = 1-0), and CS(J = 2 -1) using the TRAO 14 m telescope. Combining with existing $^{12}CO$(J = 1- 0) data of the Outer Galaxy Survey, we delineated the physical properties of the cloud. We found that there is a significant sign of interaction between the H II region and the molecular gas. We estimated the masses of the molecular cloud, using three different techniques; the most plausible mass is estimated to be $1.37 {\times} 10^5 M_{\bigodot}$, using a conversion factor of $X = 1.9 {\times} 10^{20}\;cm^{-2} (K\;km\;s^{-1})^{-1}$, and this is similar to virial mass estimate. This implies that the cloud is gravitationally bound and in virial equilibrium even though it is closely associated with the H II region. In addition to existing outflow, we found several MSX and IRAS point sources associated with dense core regions. Thus, more star forming activities other than the existing H II region are also going on in this region.