• Mass Spectrometry Letters
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• 제3권4호
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• pp.108-111
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• 2012

An experimental study on the nascent product of the OH heterogeneous reaction with NaCl was performed under dry and wet conditions using a bead-filled flow tube system coupled to a high-pressure chemical ionization mass spectrometer. The ozone concentration in the flow tube for the atomic hydrogen removal was varied in order to control the conversion reaction of molecular chlorine into HCl for the identification of the nascent product. The mass spectrometric observation was that the $O_3$ introduction reduced the concentration HCl, while it increased the concentration of $Cl_2$ and ClO. Based on the experimental results, we suggest that the nascent product of the titled reaction is gaseous $Cl_2$, which is followed by fast conversion into HCl in presence of H. No significant difference in the concentration profile between under dry and wet (RH = 2%) conditions was observed.

• 한국전기전자재료학회논문지
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• 제20권8호
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• pp.742-747
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• 2007

In 2-dimensional SCBF (Spherically Convergent Beam Fusion) device, the effect on neutron production rate of the grid cathode geometry was simulated. The motion of Particles was tracked using Monte Carlo Method including the atomic and molecular collision processes and potential distribution was calculated by Finite Element Method, Main processes of the discharge were the ionization of $D_2$ by fast $D_2^+\;ion$. As the number of cathode rings was small and the size of grid cathode decreased, the ion current increased and neutron production rate will also increase. The star mode discharge which is a very important characteristic in SCBF device, was confirmed by the ionization position.

• Current Optics and Photonics
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• 제1권4호
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• pp.278-283
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• 2017

We theoretically study the dynamics of water tetramer in intense femtosecond laser pulses with different frequencies. The simulations are carried out by incorporating the molecular dynamics method non-adiabatically into the time-dependent local-density approximation (TDLDA-MD). Three typical scenarios of water tetramer including the normal vibration with enlarged OH bonds, free OH bonds breaking and the pure Coulomb explosion are presented by investigating the electronic and ionic dynamics. The result indicates that the ionization is enhanced and the corresponding fragmentation effect as well as the damping of the dipole moment are found more notably when increasing the laser frequency especially when the frequency falls in the resonant region of the absorption spectra. The study of the level depletion reveals that the ratio of the emission amount from different levels can be controlled by changing the laser frequency referring to the Keldysh parameter.

• 통합자연과학논문집
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• 제4권2호
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• pp.99-102
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• 2011

Effect of protonation and deprotonation of ionization compounds is an important application in Comparative molecular field analysis (CoMFA). There are enough information's were reported about different CoMFA applications such as Series design and selection of training set, Geometries and optimizations of molecules, Effect of partial atomic charges, bioactive conformations and alignment, Interaction energy fields, Effects of different grid spacing etc. However limited information's are available about the ionization of compounds. This study aimed at the critical review of about the effects of protonation of ionizable molecules and its impact on the predictability of CoMFA models. We also discussed about previous implications and the things needed to be considered to come for a final conclusion about its impact on CoMFA predictability.

• Journal of Microbiology and Biotechnology
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• 제20권6호
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• pp.959-967
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• 2010

Down syndrome (DS) is an abnormality of the 21st chromosome that commonly occurs in children born to older women. Thus, amniotic fluid (AF) is usually collected from such women for prenatal diagnosis. This study analyzed human AF supernatants (AFS) using a mass spectrometric (MS) approach to search for candidate biomarkers of a DS pregnancy. The AFS were collected from older pregnant women at weeks 16-18 of their gestation by amniocentesis for cytogenetic analysis. The AFS from the pregnancies carrying DS (n=4) or chromosomally normal (n=6) fetuses, as revealed by the cytogenetic analysis, were then subjected to global protein profiling based on liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS). Affinity chromatography was also applied prior to the LC-ESI-MS/MS to minimize the masking effect of highly abundant albumin and immunoglobulin and thereby increase the diversity of the identified proteins. As a result, at least 30 new AFS proteins were identified and 44 AFS proteins were found to be differentially expressed between the DS and normal cases, where 6 of the proteins were unique to the DS cases and 11 were unique to the chromosomally normal cases. In addition, in the DS cases, 19 AFS proteins were downregulated and 8 were upregulated to varying degrees. A Western blot analysis confirmed the LC-ESI-MS/MS data, indicating that the combined detection of apolipoprotein A-II (apoA-II) and alpha-fetoprotein (AFP) could be a potential tool for diagnosing DS cases.

• Mass Spectrometry Letters
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• 제3권3호
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• pp.68-73
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• 2012

Fat malabsorption is an important cause of poor growth in infancy and childhood. Steatorrhea tests have been developed using various methods. Traditional measurements of stool fat, however, require large samples and it often takes as a week to complete the analysis. In this paper, a liquid chromatography-electrospray ionization/mass spectrometry (LC-ESI/MS) method was developed for simultaneous quantitative analysis of triacylglycerols, triolein, diolein and monoolein, in mouse feces. Moreover, the procedure was rapid, simple as well as compatible with LC-ESI/MS. Chloroform-isopropyl alcohol solution was used for fat-soluble sample extraction. After centrifugation and filtration, an analytical solution was prepared. Triolein, diolein and monoolein were separated using non-aqueous reversed-phase column with the mobile phase consisting of A (methanol) and B (acetone-isopropyl alcohol). The precision (% CV) and accuracy (% bias) of the assay were 3.8-14.7% and 85.2-114.9%, respectively. This method has been successfully applied to simultaneous determination of triolein, diolein and monoolein in feces from 30 mice. This method can therefore be applied to measure triacylglycerols in mouse feces accurately and precisely by LC-ESI/MS, thereby helping to predictive biomarker in fat malabsorption and diagnostic research.

• 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.

• Mycobiology
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• 제43권3호
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• pp.272-279
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• 2015

To screen molecular chaperones similar to small heat shock proteins (sHsps), but without ${\alpha}$-crystalline domain, heat-stable proteins from Schizosaccharomyces pombe were analyzed by 2-dimensional electrophoresis and matrix assisted laser desorption/ionization time-of-flight mass spectrometry. Sixteen proteins were identified, and four recombinant proteins, including cofilin, NTF2, pyridoxin biosynthesis protein (Snz1) and Wos2 that has an ${\alpha}$-crystalline domain, were purified. Among these proteins, only Snz1 showed the anti-aggregation activity against thermal denaturation of citrate synthase. However, pre-heating of NTF2 and Wos2 at $70^{\circ}C$ for 30 min, efficiently prevented thermal aggregation of citrate synthase. These results indicate that Snz1 and NTF2 possess molecular chaperone activity similar to sHsps, even though there is no ${\alpha}$-crystalline domain in their sequences.

• Bulletin of the Korean Chemical Society
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• 제13권5호
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• pp.482-486
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• 1992

Ion-molecule reactions of acetylene and mixed acetylene-ammonia cluster ions are studied using an electron impact time-of-flight mass spectrometer. The present results clearly demonstrate that $(C_2H_2)_n^+$ cluster ion distribution represents a distinct magic number of n=3. The mass spectroscopic evidence for the enhanced structural stabilities of $[C_6H_4{\cdot}(NH_3)_m]^+$ (m=0-8) ions is also found along with the detection of mixed cluster $[(C_2H_2)_n{\cdot}(NH_3)_m]^+$ ions, which gives insight into the feasible structure of solvated ions. This is rationalized on the basis of the structural stability for acetylene clusters and the dissociation dynamics of the complex ion under the presence of solvent molecules.

• 한국환경성돌연변이발암원학회지
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• 제22권4호
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• pp.236-242
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• 2002

Using agarose-coupled methotrexate, we have successfully isolated two proteins, which have strong interactions with methotrexate. The two proteins were analyzed by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry and identified as carbamoyl-phosphate synthetase 2 and phosphoribosylglycinamide formyltransferase, respectively. Interestingly, both of these two proteins are essential key enzymes in nucleotide biosynthetic pathways, like dihydrofolate reductase, a well-known methotrexate target. We confirmed the specificity of their interactions between methotrexate and two target proteins by the methods of competition binding assay, which were followed by western blotting using antibody against carbamoyl-phosphate synthetase 2 and phosphoribosylglycinamide formyltransferase, respectively. Moreover, we could observe that carbamoyl-phosphate synthetase 2 is overexpressed in methotrexate-resistant MOLT-3 cells comparing with control MOLT-3 cells. This result indicates that carbamoyl-phosphate synthetase 2 may be a novel target of methotrexate in cancer therapy. We propose that chemical proteomics can be a powerful technique to identify target proteins of a chemical.