• Bulletin of the Korean Chemical Society
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• v.33 no.2
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• pp.564-570
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• 2012

s-Tetrazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores the design of s-tetrazine derivatives in which different $-NO_2$, $-NH_2$ and $-N_3$ substituted azoles are attached to the tetrazine ring via C-N linkage. The density functional theory (DFT) is used to predict the geometries, heats of formation (HOFs) and other energetic properties. The predicted results show that azide group plays a very important role in increasing HOF values of the s-tetrazine derivatives. The densities for designed molecules were predicted by using the crystal packing calculations. The introduction of $-NO_2$ group improves the density as compared to $-N_3$, and $-NH_2$ groups and hence the detonation performance. Bond dissociation energy analysis and insensitivity correlations revealed that amino derivatives are better candidates considering insensitivity and stability.

• Applied Chemistry for Engineering
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• v.25 no.3
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• pp.292-299
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• 2014

In this study, nitrogen doped carbon felt (CFt) is prepared using thermal oxidation and liquid phase ammonia treatment to improve the efficiency for vanadium redox flow batteries (VRFB). The electrochemical properties of prepared CFt electrodes are investigated using cyclic voltammetry (CV) and charge/discharge test. The XPS result shows that the increase of liquid phase ammonia treatment temperature leads to the increased nitrogen functional group on the CFt surface. Redox reaction characteristics using CV reveal that the liquid phase ammonia treated CFt electrodes are more reversible than the thermally oxidized CFt. When CFt is treated by the liquid phase ammonia at $300^{\circ}C$, VRFB cell energy efficiency, voltage efficiency, and current efficiency are increased about 6.93%, 1.0%, and 4.5%, respectively, compared to those of the thermally oxidized CFt. These results are because nitrogen functional groups on CFt help to improve the electrochemical properties of redox reaction between electrode and electrolyte interface.

• Journal of Microbiology and Biotechnology
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• v.24 no.3
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• pp.313-323
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• 2014

Significant alteration in the microbial community can occur across reclamation areas suffering subsidence from mining. A reclamation site undergoing fertilization practices and an adjacent coal-excavated subsidence site (sites A and B, respectively) were examined to characterize the bacterial diversity using 454 high-throughput 16S rDNA sequencing. The dominant taxonomic groups in both the sites were Proteobacteria, Acidobacteria, Bacteroidetes, Betaproteobacteria, Actinobacteria, Gammaproteobacteria, Alphaproteobacteria, Deltaproteobacteria, Chloroflexi, and Firmicutes. However, the bacterial communities' abundance, diversity, and composition differed significantly between the sites. Site A presented higher bacterial diversity and more complex community structures than site B. The majority of sequences related to Proteobacteria, Gemmatimonadetes, Chloroflexi, Nitrospirae, Firmicutes, Betaproteobacteria, Deltaproteobacteria, and Anaerolineae were from site A; whereas those related to Actinobacteria, Planctomycetes, Bacteroidetes, Verrucomicrobia, Gammaproteobacteria, Nitriliruptoria, Alphaproteobacteria, and Phycisphaerae originated from site B. The distribution of some bacterial groups and subgroups in the two sites correlated with soil properties and vegetation due to reclamation practice. Site A exhibited enriched bacterial community, soil organic matter (SOM), and total nitrogen (TN), suggesting the presence of relatively diverse microorganisms. SOM and TN were important factors shaping the underlying microbial communities. Furthermore, the specific plant functional group (legumes) was also an important factor influencing soil microbial community composition. Thus, the effectiveness of 454 pyrosequencing in analyzing soil bacterial diversity was validated and an association between land ecological system restoration, mostly mediated by microbial communities, and an improvement in soil properties in coal-mining reclamation areas was suggested.

• Korean Journal of Plant Resources
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• v.26 no.2
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• pp.227-233
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• 2013

This study was carried out to effects of Allium victorials extract on lowering lipid, anti-oxidation and concentration of inflammatory mediators in rats fed high oxidized fat. Concentration of free fatty acid(FFA), triglyceride(TG), total cholesterol and LDL-cholesterol in plasma decreased in the Allium victorials extract groups and plasma HDL-cholesterol concentration revealed a tendency to increase in Allium victorials extract groups. Concentration of total cholesterol and TG in liver showed a tendency to decrease in Allium victorials extract groups. Concentration of thiobarbituric acid(TBARS) in plasma and liver showed a lower values in Allium victorials extract groups than that of control group. Activities of glutathione peroxidase(GSH-Px), superoxide dismutase(SOD) and catalase(CAT) in liver showed a tendency to increase in Allium victorials extract groups. Concentration of nitrogen oxide(NO), ceruloplasmin and ${\alpha}1$-acid glycoprotein in plasma showed a lower values in Allium victorials extract groups than that of control group. These results indicate that the Allium victorials extract have an functional material for lowering lipid, anti-oxidation and anti-inflammatory effect.

• Bulletin of the Korean Chemical Society
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• v.27 no.3
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• pp.345-354
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• 2006

Ionic liquids are alternative reaction media of increasing interest and are regarded as an eco-friendly alternatives, of potential use in place of the volatile organic solvents typically used in current chemical processing methods. They are emerging as the smart and excellent solvents, which are made of positive and negative ions that they are liquids near room temperature. The nucleophilic substitution reaction is one of the important method for inserting functional groups into a carbon skeleton. Many nucleophilic substitution reactions have been found with enhanced reactivity and selectivity in ionic liquid. In this review, some recent interesting results of nucleophilic substitution reactions such as hydroxylations, ether cleavages, carbon-X (X= carbon, oxygen, nitrogen, fluorine) bond forming reactions, and ring opening of epoxides in ionic liquids are discussed.

• Bulletin of the Korean Chemical Society
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• v.20 no.8
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• pp.948-952
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• 1999

Electrophilic substitutions on β-position of 2,5-dimethyl pyrrole have been investigated theoretically. The electron donating methyl groups enrich electron densities on C-3, C-4 positions and π* interactions with methyl groups substituted on C-2 and C-5 positions pushed up the HOMO level of the pyrroles consequently induce rapid substitutions on C-3, C-4 sites. Substitution of phenylsulfonyl group on nitrogen stabilized LUMO levels through weak π bonding interactions. Unexpected deoxidation reaction underwent on the sulfonyl group substituted at C-3 position. The structures were solved by X-ray crystallography. Meanwhile, gas phase HF/6-31G* and density functional method (B3LYP/6-31G*) calculations gave favorable energies for 1-phenylsulfinyl pyrrole (6) over 3-phenylsulfinyl pyrrole (5) by 3.6-4.7 kcal/mol which is contrary to the experimental result. However the methods involve the effects of molecular polarizability and solvent, molecular dynamics (MD) and ab-initio self consistent reaction field (SCRF) calculations showed same trend as experiments. According to MD calculations, compound 5 is more stable than compound 6 by 4.15 kcal/mol and the SCRF, HF/6-31G* calculations gave more stable energy value for structure 5 than 6 by 0.03 kcal/mol.

• Journal of the Korean Applied Science and Technology
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• v.39 no.6
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• pp.760-768
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• 2022

The purpose this study was to investigate the influences of 5% mung bean (Phaseolus aureus L.) on BUN and enzyme activities in serum of hyperlipidemic rats. Sprague-Dawley(SD) rats (24 male) were divided into four groups, namely the BD group(normal-nonhyperlipidemic diet), BM group(normal-nonhyperlipidemic diet+5% mung bean), BH group(control-hyperlipidemic diet), and BHM group(hyperlipidemic diet+5% mung bean). Serum concentrations of blood urea nitrogen (BUN) and uric acid were significantly decreased (p<0.05) by mung bean supplementation diet. The activities of AST, ALT, ALP, LDH, amylase and lipase in sera of mung bean diet group were significantly decreased (p<0.05). The catalase activity in serum of mung bean supplementation group was significantly increased than hyperlipidemic diet (p<0.05). In vivo experiment with hyperlipidemic rats showed that ingestion of mung bean were effective in kidney and hepatic functional enzyme activities. Which suggests that mung bean material could be used for further studies as a potential source for nutraceutical foods.

• Bulletin of the Korean Chemical Society
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• v.15 no.10
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• pp.881-888
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• 1994

The approximate rates and stoichiometry of the reaction of excess sodium tris(diethylamino)aluminum hydride (ST-DEA) with selected organic compounds containing representative functional groups under standardized conditions(tetrahydrofuran, $0{\circ}$) were studied in order to characterize the reducing characteristics of the reagent for selective reductions. The reducing ability of STDEA was also compared with those of the parent sodium aluminum hydride (SAH) and lithium tris(diethylamino)aluminum hydride (LTDEA). The reagent appears to be milder than LTDEA. Nevertheless, the reducing action of STDEA is very similar to that observed previously for LTDEA, as is the case of the corresponding parent sodium and lithium aluminum hydrides. STDEA shows a unique reducing characteristics. Thus, benzyl alcohol, phenol and 1-hexanol evolved hydrogen slowly, whereas 3-hexanol and 3-ethyl-3-pentanol, secondary and tertiary alcohols, were essentially inert to STDEA. Primary amine, such as n-hexylamine, evolved only 1 equivalent of hydrogen slowly. On the other hand, thiols examined were absolutely stable. STDEA reduced aidehydes and ketones rapidly to the corresponding alcohols. The stereoselectivity in the reduction of cyclic ketones by STDEA was similar to that by LTDEA. Quinones, such as p-benzoquinone and anthraquinone, were reduced to the corresponding 1,4-dihydroxycyclohexadienes without evolution of hydrogen. Carboxylic acids and anhydrides were reduced very slowly, whereas acid chlorides were reduced to the corresponding alcohols readily. Esters and epoxides were also reduced readily. Primary carboxamides consumed hydrides for reduction slowly with concurrent hydrogen evolution, but tertiary amides were readily reduced to the corresponding tertiary amines. The rate of reduction of aromatic nitriles was much faster than that of aliphatic nitriles. Nitrogen compounds examined were also reduced slowly. Finally, disulfide, sulfoxide, sulfone, and cyclohexyl tosylate were readily reduced without evolution of hydrogen. In addition to that, the reagent appears to be an excellent partial reducing agent: like LTDEA, STDEA converted ester and primary carboxamides to the corresponding aldehydes in good yields. Furthermore, the reagent reduced aromatic nitriles to the corresponding aldehydes chemoselectively in the presence of aliphatic nitriles. Consequently, STDEA can replace LTDEA effectively, with a higher selectivity, in most organic reductions.

• Bulletin of the Korean Chemical Society
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• v.13 no.5
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• pp.531-537
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• 1992

The approximate rates and stoichiometry of the reaction of excess potassium 2-thexyl-1,3,2-dioxaborinane hydride(KTDBNH) with 55 selected compounds containing representative functional groups under standardized conditions (tetrahydrofuran, TEX>$0^{\circ}C$, reagent : compound=4 : 1) was examined in order to define the characteristics of the reagent for selective reductions. Benzyl alcohol and phenol evolve hydrogen immediately. However, primary, secondary and tertiary alcohols evolve hydrogen slowly, and the rate of hydrogen evolution is in order of $1^{\circ}$> $2^{\circ}$> $3^{\circ}$. n-Hexylamine is inert toward the reagent, whereas the thiols examined evolve hydrogen rapidly. Aldehydes and ketones are reduced rapidly and quantitatively to give the corresponding alcohols. Cinnamaldehyde is rapidly reduced to cinnamyl alcohol, and further reduction is slow under these conditions. The reaction with p-benzoquinone dose not show a clean reduction, but anthraquinone is cleanly reduced to 9,10-dihydro-9,10-anthracenediol. Carboxylic acids liberate hydrogen immediately, further reduction is very slow. Cyclic anhydrides slowly consume 2 equiv of hydride, corresponding to reduction to the caboxylic acid and alcohol stages. Acid chlorides, esters, and lactones are rapidly and quantitatively reduced to the corresponding carbinols. Epoxides consume 1 equiv hydride slowly. Primary amides evolve 1 equiv of hydrogen readily, but further reduction is slow. Tertiary amides are also reduced slowly. Both aliphatic and aromatic nitriles consume 1 equiv of hydride rapidly, but further hydride uptake is slow. Analysis of the reaction mixture with 2,4-dinitrophenylhydrazine yields 64% of caproaldehyde and 87% of benzaldehyde, respectively. 1-Nitropropane utilizes 2 equiv of hydride, one for hydrogen evolution and the other for reduction. Other nitrogen compounds examined are also reduced slowly. Cyclohexanone oxime undergoes slow reduction to N-cyclohexylhydroxyamine. Pyridine ring is slowly attacked. Disulfides examined are reduced readily to the correponding thiols with rapid evolution of 1 equiv hydrogen. Dimethyl sulfoxide is reduced slowly to dimethyl sulfide, whereas the reduction of diphenyl sulfone is very slow. Sulfonic acids only liberate hydrogen quantitatively without any reduction. Finally, cyclohexyl tosylate is inert to this reagent. Consequently, potassium 2-thexyl-1,3,2-dioxaborinane hydride, a monoalkyldialkoxyborohydride, shows a unique reducing characteristics. The reducing power of this reagent exists somewhere between trialkylborohydrides and trialkoxyborohydride. Therefore, the reagent should find a useful application in organic synthesis, especially in the field of selective reduction.

• Analytical Science and Technology
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• v.19 no.4
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• pp.285-289
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• 2006

In this study, the effect of an acidic treatment on granular activated carbon (GAC) and activated carbon fibers (ACF) was investigated for a $Pb^{2+}$ and $Ni^{2+}$ ion adsorption. 1.0 M nitric acid solution was used as the acid solution for the surface treatment. Surface properties of the GAC and ACF were characterized by the pH, elemental analysis and pHpzc (pH of the point of zero charge). Their specific surface area and the pore structure were also evaluated by the nitrogen adsorption data at 77K. As a result, the acidic treatment led to an increase of the oxygen-containing functional groups. Furthermore, the adsorption capacity of the acid-treated GAC and ACF was improved in the order of acidic-ACF > untreated-ACF > acidic-GAC > untreated-GAC, though the decrease in specific surface area induced by a pore blocking of the functional groups was observed.