• Bulletin of the Korean Chemical Society
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• 제33권2호
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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.

• 공업화학
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• 제25권3호
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• pp.292-299
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• 2014

본 연구에서는 바나듐 레독스 흐름전지의 효율을 향상시키고자 탄소펠트에 열산화 반응과 암모니아수 처리를 이용하여 질소가 도핑된 탄소펠트 전극을 제조하였다. 또한 제조된 탄소펠트 전극의 전기화학적 특성평가를 위하여 CV 실험 및 충/방전 실험을 실시하였다. 암모니아수 처리온도가 증가함에 따라 탄소펠트 표면의 질소 관능기가 증가함을 XPS를 통하여 확인하였으며, CV 측정 결과 암모니아수 처리된 탄소펠트는 열산화된 탄소펠트에 비하여 산화/환원의 반응성이 우수함을 확인하였다. 충/방전 실험결과 $300^{\circ}C$에서 암모니아수 처리한 탄소펠트 전극은 열산화된 탄소펠트 전극보다 에너지효율, 전압효율, 전류효율이 각각 약 6.93, 1.0, 4.5%씩 향상됨을 알 수 있었다. 이는 질소 관능기가 탄소펠트 전극과 전해질 사이의 전기화학적 성능 향상에 도움을 주었기 때문으로 사료된다.

• Journal of Microbiology and Biotechnology
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• 제24권3호
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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.

• 한국자원식물학회지
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• 제26권2호
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• pp.227-233
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• 2013

본 연구는 산마늘추출물이 과산화지질을 급여한 비만쥐의 지질강하, 항산화효과 및 염증매개물질의 생산에 미치는 영향을 검토했다. 그 결과 혈장 FFA, TG, total cholesterol 및 LDL-cholesterol 농도는 산마늘추출물 처리군 들에서 감소했으며, 혈장HDL-cholesterol 농도는 산마늘추출물 처리군 들에서 증가했다. 간장 내 total cholesterol 농도 및 TG 농도는 산마늘추출물 처리군 들에서 감소하는 경향을 나타내었다. 혈장 및 간장의 TBARS 농도는 산마늘추출물 처리군 모두가 대조군보다 낮은 경향을 보였다. 간장 GSH-Px, SOD 및 CAT활성치모두가 산마늘추출물 처리군 들에서 증가하는 경향을 보였다. 혈장 NO, Ceruloplasmin 및 ${\alpha}1$-acid glycoprotein 농도는 산마늘추출물 투여군 들이 대조군보다 낮은 경향을 나타내었다. 이와 같은 결과는 산마늘추출물에 지질강하, 항산화 및 항염증작용에 효과를 나타내는 기능성물질이 내재하고 있음을 시사한다.

• Bulletin of the Korean Chemical Society
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• 제27권3호
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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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• 제20권8호
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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.

• 한국응용과학기술학회지
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• 제39권6호
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• pp.760-768
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• 2022

본 연구의 목적은 5% 녹두(Phaseolus aureus L.)의 급여가 고지혈증 유발 Sprague-Dawley(SD)계 흰쥐의 혈청 blood urea nitrogen(BUN), creatinine 및 요산(uric acid)의 농도와 aspartate aminotransferase(AST), alanine aminotransferase(ALT), alkaline phosphatase(ALP), lactate dehydrogenase(LDH), amylase, lipase 및 catalase 활성에 미치는 영향을 규명하고자 시행하였다. 연구결과 녹두는 고지혈증으로 유발된 흰쥐의 혈청 BUN, creatinine, 요산 농도 및 AST, ALT, ALP, LDH, amylase, lipase의 활성 감소와 catalase 활성을 증가시키는 것으로 나타났다. 따라서 녹두는 신장과 간 등의 기능 개선과 예방에 효과적일 것으로 판단되어 기능성 소재로서의 이용 가능성이 있을 것으로 기대된다.

• Bulletin of the Korean Chemical Society
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• 제15권10호
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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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• 제13권5호
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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.

• 분석과학
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• 제19권4호
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• pp.285-289
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• 2006

본 연구에서는 산 표면 처리한 입상 활성탄(GAC)과 활성 탄소섬유(ACF)에 의한 $Pb^{2+}$와 $Ni^{2+}$ 이온의 흡착 특성을 고찰하였다. 산 표면 처리용액으로는 1.0 M 질산 용액을 사용하였다. GAC와 ACF의 표면특성분석은 pH, 등전점(pHpzc), 그리고 원소분석기를 사용하였으며, 비표면적과 기공구조는 77K에서 $N_2$ 등온흡착 방법으로 측정하였다. 본 실험결과 GAC 와 ACF를 산으로 표면 처리한 경우 산소를 포함한 작용기가 증가하였다. 이처럼 산 표면 처리에 의해 증가된 표면 작용기에 따른 GAC 및 ACF의 기공이 막힘에도 불구하고, acidic-ACF > untreated-ACF > acdic-GAC > untreated-GAC 순으로 중금속 흡착능이 증가하였다.