• Journal of the Korea Academia-Industrial cooperation Society
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• v.4 no.3
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• pp.260-262
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• 2003

A thermal vapor deposition method for crystallization of insoluble analytes with matrix is established as a new sample preparation method for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). A mixture of mono, bis and tris(p-ethyl benzylidene) sorbitols was incorporated into microcrystals of ferulic acid, which was confirmed by confocal micrographs. Molecular masses of sorbitol derivatives were determined in this way by MALDI-MS without thermal decomposition.

• Proceedings of the KAIS Fall Conference
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• 2003.06a
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• pp.311-313
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• 2003

A thermal vapor deposition method for crystallization of insoluble analysis with matrix is established as a new sample preparation method for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). A mixture of mono, bis and tris(p-ethyl benzylidene) sorbitols was incorporated into microcrystals of ferulic acid, which was confirmed by confocal micrographs. Molecular masses of sorbitol derivatives were determined in this way by MALDI-MS without thermal decomposition.

• Journal of Veterinary Science
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• v.19 no.6
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• pp.771-781
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• 2018

Staphylococcus aureus is one of the major pathogens causing bovine mastitis and foodborne diseases associated with dairy products. To determine the genetic relationships between human and bovine or bovine isolates of S. aureus, various molecular methods have been used. Previously we developed an rpoB sequence typing (RSTing) method for molecular differentiation of S. aureus isolates and identification of RpoB-related antibiotic resistance. In this study, we performed spa typing and RSTing with 84 isolates from mastitic cows (22 farms, 72 cows, and 84 udders) and developed a molecular prophage typing (mPPTing) method for molecular epidemiological analysis of bovine mastitis. To compare the results, human isolates from patients (n = 14) and GenBank (n = 166) were used for real and in silico RSTing and mPPTing, respectively. Based on the results, RST10-2 and RST4-1 were the most common rpoB sequence types (RSTs) in cows and humans, respectively, and most isolates from cows and humans clearly differed. Antibiotic resistance-related RSTs were not detected in the cow isolates. A single dominant prophage type and gradual evolution through prophage acquisition were apparent in most of the tested farms. Thus, RSTing and mPPTing are informative, simple, and economic methods for molecular epidemiological analysis of S. aureus infections.

• Tuberculosis and Respiratory Diseases
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• v.85 no.3
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• pp.264-272
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• 2022

Background: The current conventional drug susceptibility test (DST) for Mycobacterium tuberculosis (Mtb) takes several weeks of incubation to obtain results. As a rapid method, molecular DST requires only a few days to get the results but does not fully cover the phenotypic resistance. A new rapid method based on the ability of viable Mtb bacilli to hydrolyze fluorescein diacetate to free fluorescein with detection of fluorescent mycobacteria by flow cytometric analysis, was recently developed. Methods: To evaluate this cytometric method, we tested 39 clinical isolates which were susceptible or resistant to isoniazid (INH) or rifampin (RIF), or ethambutol (EMB) by phenotypic or molecular DST methods and compared the results. Results: The susceptibility was determined by measuring the viability rate of Mtb and all the isolates which were tested with INH, RIF, and EMB showed susceptibility results concordant with those by the phenotypic solid and liquid media methods. The isolates having no mutations in the molecular DST but resistance in the conventional phenotypic DST were also resistant in this cytometric method. These results suggest that the flow cytometric DST method is faster than conventional agar phenotypic DST and may complement the results of molecular DST. Conclusion: In conclusion, the cytometric method could provide quick and more accurate information that would help clinicians to choose more effective drugs.

• Journal of the Korean Chemical Society
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• v.48 no.4
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• pp.339-350
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• 2004

The simplified cumulant method was applied to diffraction data of $CClF_3$ to study the equilibrium molecular parameters over a range of temperatures. The molecular parameters of $CClF_3$ by the simplified cumulant method were compared with those from the traditional method. Also the instrumentation of picosecond time resolved electron diffraction (TRED) and the experimental details are described. The total experimental temporal resolution was discussed in terms of the electron pulse width. The TRED system was applied to study the molecular structures for $CClF_3$ at room temperature. The molecular structural parameters $CClF_3$ from TRED are compared with those from GED/RT. The molecular parameters ($r_e$)of bonded C-F and C-Cl for $CClF_3$ by simplified CA are 132.00(2) pm and 175.20(3) pm, respectively, by using GED/RT. From the results of TRED experiments $r_a$ for bonded C-F and C-Cl are 132.23(13) pm and 177.23(19) pm.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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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.

• Korea-Australia Rheology Journal
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• v.14 no.4
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• pp.161-174
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• 2002

A new technique for numerical calculation of viscoelastic flow based on the combination of Neural Net-works (NN) and Brownian Dynamics simulation or Stochastic Simulation Technique (SST) is presented in this paper. This method uses a "universal approximator" based on neural network methodology in combination with the kinetic theory of polymeric liquid in which the stress is computed from the molecular configuration rather than from closed form constitutive equations. Thus the new method obviates not only the need for a rheological constitutive equation to describe the fluid (as in the original Calculation Of Non-Newtonian Flows: Finite Elements St Stochastic Simulation Techniques (CONNFFESSIT) idea) but also any kind of finite element-type discretisation of the domain and its boundary for numerical solution of the governing PDE's. As an illustration of the method, the time development of the planar Couette flow is studied for two molecular kinetic models with finite extensibility, namely the Finitely Extensible Nonlinear Elastic (FENE) and FENE-Peterlin (FENE-P) models.P) models.

• Proceedings of the KSME Conference
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• 2007.05a
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• pp.332-336
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• 2007

Temperature is an essential process variable in nanoimprint lithography(NIL) where the temperature varies between room temperature and above the glass transition temperature. To simulate NIL process, we employ both the Nose-Poincare method for temperature controlled molecular dynamics(MD) and force field for polymer material i.e. polymethyl methacrylate(PMMA), which is most widely selected as NIL resist. Nose-Poincare method, which convinces the conservation of Hamiltonian structure and time-reversal symmetry, overcomes the drawbacks inherent in the conventional methods such as Nose thermostat and Nose-Hoover thermostat. Thus, this method exhibits enhanced numerical stability even when the temperature fluctuation is large. To describe PMMA, we adopt the force field which account for bond stretch, bending, torsion, inversion, partial charge, and van der Waals energy.

• Journal of Advanced Marine Engineering and Technology
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• v.28 no.3
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• pp.441-450
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• 2004

The velocity distribution of gas molecules from the experimental results was confirmed as the same with the Maxwell-Boltzmann's theoretical results within the experimental error. This study is on the realization of the Maxwell-Boltzmann's velocity distribution of gas molecules by the molecular dynamics(MD) method. The Maxwell-Boltzmann's velocity distribution of gas molecules is extremely important to confirm the equilibrium state because the properties of a thermodynamic system shall be obtained from the system's equilibrium configuration in the MD method. This study is the first trial in the successive researches to calculate the properties of a thermodynamic system by the computer simulations. We confirmed that the maxwell-boltzmann's velocity distribution is developed in some transient time after starting a simulation and dependent on the size of a system. Also it is found that the velocity distribution has no relation with an initial configuration of gas molecules.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2003.06a
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• pp.1182-1185
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• 2003

Recently, the research of the nano technology has been done on a lot of area over the world. Especially, the interest of them is much higher for semiconductor companies and other super accuracy processing area. In this thesis, we have approached the characteristic of the tensile and bonding of copper, frequently used to nano wires, by molecular dynamics simulation. And the simulation was done by EAM, Embedded Atom Method which has the most highest accuracy for metal. Then the feature of copper at atom space is understood through the simulation of nano wire.