• Bulletin of the Korean Chemical Society
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• 제11권5호
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• pp.383-386
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• 1990

We have synthesized several bicyclic heteroaromatic compounds with bridgehead nitrogen from N-amine salts of heteroaromatic amines. 2-Amino and 2-unsubstituted thiazolo[3,2-b][l,2,4]triazole derivatives 2a-b were prepared by the cyclization reaction from N-amine salts of aminothiazole-5-yl(N-methoxyimino)acetate with cyanogen bromide and formamidine acetic acid salt, respectively. 2-Methylthiazolo[3,2-b][1,2,4]triazole 2c was obtained from N-acetylated N-amine salt of aminothiazole-5-yl(N-methoxyimino)acetate by the cyclization reaction in the presence of polyphosphoric acid (PPA). 2-Substituted and 2-unsubstituted thiazole[3,2-b][1,2,4]triazole derivatives 2a-c were coupled with 7-aminocephalosporanic acid (7-ACA). Coupled cephalosporin derivatives 1a-c did not have good antibacterial activities in vitro.

• Bulletin of the Korean Chemical Society
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• 제10권6호
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• pp.572-577
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• 1989

Using the low valent titanium induced carbonyl-carbonyl coupling reaction, it was attempted to synthesize sterically hindered 17-membered cyclic chiral host 2. The semifinal dialdehyde 12 was obtained through 11 step reactions beginning from p-tert-butylphenol and dibenzofuran. When dialdehyde 12 was treated with $TiCl_3-Zn/Cu,$ only intermolecularly coupled dimer 14 was obtained instead of intramolecularly coupled cyclic alkene 2. The mechanistic consideration leading to 14 was discussed and the cation binding properties of dimer 14 and dicarboxylic intermediate 13 was reported, which implies the significance of the principle of preorganization of host's binding sites prior to complexation.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2003년도 총회 및 춘계학술발표회
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• pp.430-433
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• 2003

Nitrogen pollution in urban and rural groundwater is a common problem and poses a major threat to drinking water supplies based on groundwater. In this work, the kinetics of nitrification-denitrification coupled reactions are modeled and new reaction modules for the RT3D code describing the fate and transport of nitrogen species, dissolved oxygen, dissolved organic carbon, and biomass are developed and tested. The proposed nitrogen transformations and transport model showed very good match with the results of other public codes.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.833-838
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• 2014

The energy- and time-dependent branching to the competing dissociation paths are studied by theory for coupled unimolecular dissociations of the o-, m-, and p-chlorotoluene radical cations to $C_7{H_7}^+$ (benzylium and tropylium). There are four different paths to $C_7{H_7}^+$, three to the benzylium ion and one to the tropylium ion, and all of them are coupled together. The branching to the multiple paths leads to the multiexponential decay of reactant with the branching ratio depending on both internal energy and time. To gain insights into the multipath branching, we study the detailed kinetics as a function of time and internal energy on the basis of ab inito/RRKM calculations. The number of reaction steps to $C_7{H_7}^+$ is counted for each path. Of the three isomers, the meta mostly goes through the coupling, whereas the para proceeds with little or no coupling. In the beginning, some reactants with high internal energy decay fast to the benzylium ion without any coupling and others rearrange to the other isomers. Later on all three isomers dissociate to the products via long-lived intermediates. Thus, the reactant shows a multiexponential decay and the branching ratio varies with time as the average internal energy decreases with time. The reciprocal of the effective lifetime is taken as the rate constant. The resulting rate-energy curves are in line with experiments. The present results suggest that the coupling between the stable isomers is thermodynamically controlled, whereas the branching to the product is kinetically controlled.

• Journal of Ginseng Research
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• 제44권1호
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• pp.105-114
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• 2020

Background: Exploring the pharmacokinetic (PK) changes of various active components of single herbs and their combinations is necessary to elucidate the compatibility mechanism. However, the lack of chemical standards and low concentrations of multiple active ingredients in the biological matrix restrict PK studies. Methods: A putative multiple reaction monitoring strategy based on liquid chromatography coupled with mass spectrometry (LC-MS) was developed to extend the PK scopes of quantification without resorting to the use of chemical standards. First, the compounds studied, including components with available reference standard (ARS) and components lacking reference standard (LRS), were preclassified to several groups according to their chemical structures. Herb decoctions were then subjected to ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry analysis with appropriate collision energy (CE) in MS² mode. Finally, multiple reaction monitoring transitions transformed from MS² of ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry were used for ultrahigh-performance liquid chromatography coupled with triple quadrupole mass spectrometry to obtain the mass responses of LRS components. LRS components quantification was further performed by developing an assistive group-dependent semiquantitative method. Results: The developed method was exemplified by the comparative PK process of single herbs Radix Ginseng (RG), Radix Polygala (RP), and their combinations (RG-RP). Significant changes in PK parameters were observed before and after combination. Conclusion: Results indicated that Traditional Chinese Medicine combinations can produce synergistic effects and diminish possible toxic effects, thereby reflecting the advantages of compatibility. The proposed strategy can solve the quantitative problem of LRS and extend the scopes of PK studies.

• Biotechnology and Bioprocess Engineering:BBE
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• 제11권3호
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• pp.258-261
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• 2006

The addition of zeolite particles enhances the stability of mRNA molecules in a cell-free protein synthesis system. When $20{\mu}g/{\mu}L$ of zeolite (Y5.4) is added to a reaction mixture of cell-free protein synthesis, a substantial increase in protein synthesis is observed. The stabilizing effect of zeolite is most dearly observed in an in vitro translation reaction directed by purified mRNA, as opposed to a coupled transcription and translation reaction. Upon the addition of zeolite in the in vitro translation reaction, the life span of the mRNA molecules is substantially extended, leading to an 80% increase in protein synthesis. The effect of zeolite upon the mRNA stability appears be strongly related to the cation exchange (potassium to sodium) reaction. Our results demonstrate the possibility of modifying this biological process using heterogeneous, non-biological substances in a cell-free protein synthesis system.

• 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.

• International Journal of Computer Science & Network Security
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• 제22권6호
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• pp.91-96
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• 2022

The photocatalytic degradation of salicylic acid takes place in several stages involving coupled phenomena, such as the transport of molecules and the chemical reaction. The systems of transport equations and the photocatalytic reaction are numerically solved using COMSOL Mutiphysics (CM) simulation software. CM will make it possible to couple the phenomena of flow, the transport of pollutants (salicylic acid) by convection and diffusion, and the chemical reaction to the catalytic area (bauxite or TiO2 doped by nanoparticles). The simulation of the conversion rate allows to correctly fit the experimental results. The temporal simulation shows that the reaction reaches equilibrium after a transitional stage lasting over one minute. The outcomes of the study highlight the importance of diffusion in the boundary layer and the usefulness of injecting micro-agitation into the microchannel flow. Under such conditions, salicylic acid degrades completely.

• 분석과학
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• 제19권6호
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• pp.473-481
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• 2006

• 한국막학회:학술대회논문집
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• 한국막학회 1995년도 추계 총회 및 학술발표회
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• pp.43-44
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• 1995

The diffusion behavior of liquid into polymer has been described by Fick's law, but the departure from Fickian diffusion is frequently found. In this study, 'noble' expressions for the rates of relaxation and sorption are introduced to eliminate these limitations. The ralaxation-sorption coupled mechanism model are based on the possibility of contacting liquid molecule and the active site which has the numerical concept of free volume. The concept has an analogy of reaction rate expressed by the possibility of collision with molecules and used in adsorption and reactive extraction etc. The new model simulated by Rungc-Kutta method for initial-value problem and Fickian diffusion is caompared with experimental data. The results show that the ralaxation-sorption coupled mechanism is able to account well for Fickian and non-Fickian sorption behavior including sigmoid and two-stage. In addition, this model has a chance of expansion to multi-component sorption with ease.