• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3551-3553
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• 2012

1,5-Diacetyl-3,7-dinitro-l,3,5,7-tetraazacyclooctane (DADN) is a key intermediate in the preparation of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), one of the most powerful high-melting explosives. The present investigation focuses on nitrolysis of DADN to HMX by developing a new nitrolysis process involving the use of nitric acid catalyzed by Silica Sulfuric Acid (SSA). In order to optimize the process parameters for synthesis of HMX to obtain higher yield and purity, a study was carried out with variation of some parametric conditions like time, mole ratio of SSA and nitric. This method gave us green and mild conditions for nitration reaction.

• 약학회지
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• 제35권5호
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• pp.389-393
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• 1991

A convenient method for the synthesis of indobufen, which is a potent antiinflammatory agent, was described. Ethyl 2-phenylbutyrate(4) was prepared by Friedel-Crafts reaction of benzene with ethyl $\alpha$-chloro-$\alpha$-(methylthio)acetate(l) followed by ethylation and desulfurization of the resultant ethyl 2-(methylthio)phenylacetate(2). Ethyl 2-(p-aminophenyl)butyrate(6) was prepared by nitration of (4) and successive reduction of ethyl 2-(p-nitrophenyl) butyrate(5). Indobufen was obtained by condensation reaction of (6) with phthalic anhydride followed by reduction and hydrolysis of the resultant ethyl 2-[p-(1, 3-dioxo-2-isoindolinyl)phenyl]butyrate(7).

• 한국윤활학회:학술대회논문집
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• 한국윤활학회 2000년도 제32회 추계학술대회 정기총회
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• pp.100-106
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• 2000

Recently, the population of vehicles using LPG as fuel has been increasing due to relatively low fuel price and low tax. Although gasoline engine oils we usually used to lubricate LPG engines, some troubles such as oil thickening and TBN depletion were found in them under severe operating condition. In order to investigate the deterioration mechanism of lubricants in LPG engine, field trials were performed. The results from the field trials showed that the deterioration of oils in LPG engine is different from that in normal gasoline engine. LPG engine oil was deteriorated mainly through oxidation and nitration at high temperature rather than contamination of fuel combustion products.

• 한국섬유공학회:학술대회논문집
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• 한국섬유공학회 1999년도 가을 한국섬유공학회 학술발표회 논문집(Proceedings of the Korean Textile Conference)
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• pp.29-32
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• 1999

• Bulletin of the Korean Chemical Society
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• 제31권9호
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• pp.2581-2587
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• 2010

Nitration of tyrosine and tryptophan residues is common in cells under nitrative stress. However, physiological consequences of protein nitration are not well characterized on a molecular level due to limited availability of the 3D structures of nitrated proteins. Molecular dynamics (MD) simulation can be an alternative tool to probe the structural perturbations induced by nitration. In this study we developed molecular mechanics parameters for 3-nitrotyrosine (NIY) and 6-nitrotryptophan (NIW) that are compatible with the AMBER-99 force field. Partial atomic charges were derived by using a multi-conformational restrained electrostatic potential (RESP) methodology that included the geometry optimized structures of both $\alpha$- and $\beta$-conformers of a capped tripeptide ACE-NIY-NME or ACE-NIW-NME. Force constants for bonds and angles were adopted from the generalized AMBER force field. Torsional force constants for the proper dihedral C-C-N-O and improper dihedral C-O-N-O of the nitro group in NIY were determined by fitting the torsional energy profiles obtained from quantum mechanical (QM) geometry optimization with those from molecular mechanical (MM) energy minimization. Force field parameters obtained for NIY were transferable to NIW so that they reproduced the QM torsional energy profiles of ACE-NIW-NME accurately. Moreover, the QM optimized structures of the tripeptides containing NIY and NIW were almost identical to the corresponding structures obtained from MM energy minimization, attesting the validity of the current parameter set. Molecular dynamics simulations of thioredoxin nitrated at the single tyrosine and tryptophan yielded well-behaved trajectories suggesting that the parameters are suitable for molecular dynamics simulations of a nitrated protein.

• 대한한방내과학회지
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• 제24권1호
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• pp.75-83
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• 2003

Objectives : Peroxynitrite($ONOO^-$), formed from the reaction of $O2^-$ and NO, is a cytotoxic species that can oxidize several cellular components such as proteins, lipids and DNA. It has been involved in the aging process and age-related diseases such as Alzheimer's disease, rheumatoid arthritis, cancer and atherosclerosis. The aim of this study was to investigate scavenging activities of $ONOO^-$ and its precursors, NO and $O_{2^-}$ and its scavenging mechanism of Zingiberis Rhizoma (ZR). Methods : To investigate scavenging activities of $ONOO^-,\;NO,\;O_{2^-}$ and its scavenging mechanism, we used fluorescent probes like DCFDA, DAF-2 and DHR 123. The $ONOO^-$ scavenging activity on ZR was assayed by measuring oxidized dihydrorhodamine 123 (DHR 123) by fluorometry. The scavenging efficacy was expressed as IC50, showing the concentration of each sample that is required to cause 50% inhibition of DHR 123 oxidation. In a separate study, the protective effect of ZR on $ONOO^-$-induced nitration of bovine serum albumin was investigated through immuno-assay with a monoclonal anti-nitryrosine antibody, and a horseradish peroxidase-conjugated anti-mouse secondary antibody from sheep. Results : ZR markedly scavenged authentic $ONOO^-,\;O_{2^-}$ and NO. It also inhibited $ONOO^-$ induced by $O_{2^-}$ and NO which are derived from SIN-1. The data demonstrated that ZR led to decreased $ONOO^-$ mediated nitration of tyrosine through electron donation. It also inhibited the nitration of bovine serum albumin induced by $ONOO^-$ in a dose-dependent manner. Furtheremore, it blocked LPS-induced ROS and RNS generation. Conclusions : These results suggest that ZR can be developed as an effective $ONOO^-$ scavenger for the prevention of aging process and age-related diseases.

• Bulletin of the Korean Chemical Society
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• 제30권9호
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• pp.2152-2154
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• 2009

• 대한약학회:학술대회논문집
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• 대한약학회 2000년도 춘계총회 및 학술대회
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• pp.116.3-117
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• 2000

• Bulletin of the Korean Chemical Society
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• 제34권11호
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• pp.3485-3487
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• 2013

• Bulletin of the Korean Chemical Society
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• 제29권7호
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• pp.1415-1417
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• 2008