• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1397-1402
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• 2014

The complete active space self-consist field method followed by the internally contracted multireference configuration interaction method has been used to compute the potential energy curves of $X^2\prod_g$, $a^4\prod_u$, $A^2\prod_u$, $b^4\sum_{g}^{-}$, and $B^2\sum_{g}^{-}$ states of $S{_2}^+$ cation with large correlation-consistent basis sets. Utilizing the potential energy curves computed with different basis sets, the spectroscopic parameters of these states were evaluated. Finally, the transition dipole moment and the Franck-Condon factors of the transition from $A^2\prod_u$ to $X^2\prod_g$ were evaluated. The radiative lifetime of $A^2\prod_u$ is calculated to be 887 ns, which is in good agreement with experimental value of $805{\pm}10$ ns.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.41 no.6
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• pp.429-434
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• 2017

A molecular-continuum hybrid method was developed to simulate microscale and nanoscale fluids where continuum fluidics cannot be used to predict Couette flow. Molecular dynamics simulation is used near the solid surface where the flow cannot be predicted by continuum fluidics, and Navier-Stokes equations are used in the other regions. Numerical simulation of Couette flow was performed using the hybrid method to investigate the effect of solid-liquid interaction and surface roughness in a nanochannel. It was found that the solid-liquid interaction and surface roughness influence the boundary condition. When the surface energy is low, slippage occurs near the solid surface, and the magnitude of slippage decreases with increase in surface energy. When the surface energy is high, a locking boundary condition is formed. The roughness disturbs slippage near the solid surface and promotes the locking boundary condition.

• Journal of the Korean Wood Science and Technology
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• v.49 no.1
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• pp.1-13
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• 2021

This study was conducted to investigate the effects of the synthesis method, melamine content, and GPC parameters (such as flow rate, column-detector temperature, and sample injection temperature) on the molecular weight of melamine-urea-formaldehyde (MUF) resins. Two different synthesis methods were employed. In the first method, MUF-A resins were synthesized by simultaneously reacting urea, formaldehyde, and melamine (5%, 10%, and 20%) using the reaction of alkaline-acid-alkaline steps under controlled temperature and viscosity. In the second method, MUF-B resins were synthesized by first reacting melamine at the same levels with formaldehyde and then by adding urea. The highest weight average molecular weight (Mw) of MUF-A resins was found at 10% melamine content when the flow rate was 0.3 and 0.8 ml/min; Mw decreased slightly at 20% melamine content. The results showed that Mw increased with an increase in the melamine content when the flow rate was 0.5 and 1.0 ml/min. In addition, Mw was the highest when the flow rate, column-detector temperature, and injection temperature were 0.3 ml/min, 50℃, and 25℃, respectively. On the contrary, MUF-B resins had greater Mw and number average molecular weight (Mn) than MUF-A resins. Overall, Mw and Mn increased as the melamine content increased. The optimal GPC parameter for MUF resins was determined as follows: a flow rate of 0.5 ml/min, a column-detector temperature of 50℃, and a sample injection temperature of 50℃.

• Journal of Plant Biotechnology
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• v.4 no.3
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• pp.91-94
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• 2002

An efficient molecular breeding technique for coffee plants was developed. In order to produce transgenic coffee plants, we established a model transformation procedure via Agrobacterium method. We isolated a gene encoding a protein possessing 7-methylxanthine methyltransferase (theobromine synthase) activity, and it was designated as Coffea arabica 7-methylxanthine methyl transferase; CaMXMT. Using this clone, we produced transgenic coffee plants, in which the expression of CaMXMT is suppressed by double-stranded RNA interference (RNAi) andlor anti-sense methods. The expression pattern of CaMXMT was analyzed by reverse transcription-PCR method and we found that, in the transformed cell lines, the level of transcripts were obviously suppressed by RNAi. The endogenous level of caffeine in the transformed cells was dramatically reduced in comparison with non-transformed cells.

• Macromolecular Research
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• v.11 no.1
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• pp.25-35
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• 2003

A series of random poly(ethylene-co-1,4-butylene terephthalate)s (PEBTs), as well as poly(ethylene terephthalate) (PET) and poly(1,4-butylene terephthalate) (PBT), were synthesized by the bulk polycondensation. Their composition, molecular weight, and thermal properties were determined. All the copolymers are crystallizable, regardless of the compositions, which may originate from both even-atomic-numbered ethylene terephthalate and butylenes terephthalate units that undergo inherently crystallization. Non-isothermal crystallization exotherms were measured over the cooling rate of 2.5-20.0 K/min by calorimetry and then analyzed reasonably by the modified Avrami method rather than the Ozawa method. The results suggest that the primary crystallizations in the copolymers and the homopolymers follow a heterogeneous nucleation and spherulitic growth mechanism. However, when the cooling rate increases and the content of comonomer unit (ethylene glycol or 1,4-butylene glycol) increases, the crystallization behavior still becomes deviated slightly from the prediction of the modified Avrami analysis, which is due to the involvement of secondary crystallization and the formation of relatively low crystallinity. Overall, the crystallization rate is accelerated by increasing cooling rate but still depended on the composition. In addition, the activation energy in the non-isothermal crystallization was estimated.

• Journal of Radiopharmaceuticals and Molecular Probes
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• v.4 no.1
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• pp.36-42
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• 2018

Molecular imaging refers to detect the biochemical process in living organisms at the cellular and molecular levels and to quantify them. Due to several advantages of nanomaterials, various molecular images using nanomaterials are being tried. Attempts have been made to combine nanoparticles, known as micro- or nanosized nanomaterials, with radioactive isotopes for molecular imaging probe. The radiolabeled nanoparticles will expend the molecular imaging due to nanoparticle's size-dependent nature. In particular, iron oxide nanoparticles can be used for magnetic resonance imaging, can be adjusted in size, easily functionalized, and biocompatible, making it a very good platform for molecular imaging. In addition, iron oxide nanoparticles may be the best example for a new approach to molecular imaging techniques. In this paper, we introduce various methods for preparation of iron oxide nanoparticle combined with radioisotope starting from various synthesis methods of iron oxide nanoparticles to utilize iron oxide nanoparticles as a platform for molecular imaging through radioactive labeling.

• YAKHAK HOEJI
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• v.52 no.5
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• pp.407-411
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• 2008

Phosphorylation plays the most important role in cell signaling mechanism. Various methods to identify the phosphorylation sites of proteins using tandem mass spectrometry (MS/MS) have been reported recently. Furthermore, the enrichment strategy such as Titanium dioxide ($TiO_2$) method should be combined with MS/MS analysis to effectively identify phosphorylation sites. It is necessary to optimize phosphopeptide-enrichment strategy, $TiO_2$ method in this study, due to the low amount of phosphorylated form followed by analyzing them by MS/MS. To evaluate the several conditions to enrich phosphopeptides using $TiO_2$ method, we used ${\apha}$-casein as a standard phosphoprotein and analyzed a representative phosphopeptide (VPQLEIVPNpSAEER) peak of MS spectrum. Batch is better than column method for binding and 300 g/l DHB in loading buffer is better than lower concentration of DHB. 3% TFA and pH 10.5 shows high efficiency of phosphopeptide-enrichment for washing and elution steps, respectively. Finally we identified various efficient conditions of phosphopeptide-enrichment method using $TiO_2$. This optimized method would assist in reliable identifying thousands of phosphorylation sites existed in low abundance from various complex proteins.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.893-896
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• 2012

Using molecular dynamics simulation method, we studied the carbon nanotube (CNT) non-covalently interacting with a polymer. As the polymer coiled around the CNT, the diameter of CNT deformed by more than 40% of its original value within 50 ps. By considering three different polymers, we conclude that the interaction between the CNT and polymer is governed by the number of repeating units in the polymer, not by the molecular weight of polymer.

• Proceedings of the Korean Society of Dyers and Finishers Conference
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• 2008.10a
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• pp.77-78
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• 2008

Affinity between alkyl substituted super hydrophobic dyes and polypropylene fiber has been analyzed by using the molecular descriptor as a method to predict chemical and physical characteristics of compounds. Hydrophobicity of synthesized dyes calculated by LogP which is one of molecular descriptors was increased continuously as the length of alkyl substituents increased.

• 한국생물공학회:학술대회논문집
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• 2005.10a
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• pp.743-743
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• 2005