• Applied Biological Chemistry
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• 제41권6호
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• pp.471-476
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• 1998

신 농약을 개발할 목적으로 선도화합물인 티아졸린의 곁가지를 변화시킨 새로운 2-이미노티아졸린 유도체를 합성하여 항균활성을 검색하였다. 디키틴과 아닐린으로부터 제조된 아세토아세트아닐리드 유도체를 브롬화하여 상응하는 감마-브로모아세토아세트아닐리드 유도체를 얻고 이를 티오우레아 유도체와 반응시켜 2-이미노티아졸린 유도체를 합성하였다. 2-이미노티아졸린의 항균활성을 검색하고자 6 종류의 대표적인 식물 병원균에 대한 시험(in vivo)을 하였다. 2-페노치환체들은 벼도열병균에 대하여 250 ppm에서 탁월한 항균성을 나타냈다. 1차 활성시험에서 방제가 90이상으로 평가된 것만 선발하여 2차 활성시험(농도저하 시험)을 수행하였다. 2-아릴기에 전자주게보다 전자 끌게, 전자끌게 중에서도 할로겐치환체가 도입된 경우에 고 활성을 나타냈으며 불소원자가 치환된 경우에 활성이 비교적 양호하였다.

• Bulletin of the Korean Chemical Society
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• 제31권8호
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• pp.2163-2169
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• 2010

G-protein coupled receptors (GPCRs) are involved in a wide variety of physiological processes and are known to be targets for nearly 50% of drugs. The various functions of GPCRs are affected by their cognate ligands which are mainly classified as agonists and antagonists. The purpose of this study is to develop a Bayesian classification model, that can predict a compound as either human GPCR agonist or antagonist. Total 6627 compounds experimentally determined as either GPCR agonists or antagonists covering all the classes of GPCRs were gathered to comprise the dataset. This model distinguishes GPCR agonists from GPCR antagonists by using chemical fingerprint, FCFP_6. The model revealed distinctive structural characteristics between agonistic and antagonistic compounds: in general, 1) GPCR agonists were flexible and had aliphatic amines, and 2) GPCR antagonists had planar groups and aromatic amines. This model showed very good discriminative ability in general, with pretty good discriminant statistics for the training set (accuracy: 90.1%) and a good predictive ability for the test set (accuracy: 89.2%). Also, receiver operating characteristic (ROC) plot showed the area under the curve (AUC) to be 0.957, and Matthew's Correlation Coefficient (MCC) value was 0.803. The quality of our model suggests that it could aid to classify the compounds as either GPCR agonists or antagonists, especially in the early stages of the drug discovery process.

• 한국환경과학회지
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• 제17권7호
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• pp.767-774
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• 2008

This study was carried out to evaluate the characteristics of atmospheric concentrations of volatile organic compounds(VOCs) and aldehydes for near a large shipyard. Most of the painting work in marine coating is performed indoor and outdoor. Most of the VOCs are emitted to the atmosphere as the paint is applied and cures. The massive scale of a ship makes it difficult to capture the emissions from outdoor painting. The VOCs are an important health and contributors to photochemical smog. The VOCs and aldehydes samples were collected using adsorbent tube and 2,4-DNPH cartridge, and were determined by an automatic thermal desorption coupled with GC/MS and HPLC-UV analysis, respectively. A total of 16 aromatic VOCs and 12 aldehydes of environmental concern were determined. At indoor coating facilities, the most abundant compound among 16 target VOCs appeared to be m,p-xylene, being followed by o-xylene. But most of the aldehydes were extremely lower concentrations. The atmospheric concentration of VOCs, m,p-xylene concentrations were the highest and the mean value were outdoor workshop 11.323 ppb, residental area 5.134 ppb, and green area 2.137 ppb, respectively. However, the most aldehydes were extremely lower concentrations such as formaldehyde, acetaldehyde and non-detection such as iso-valeraldehyde, n-valeraldehyde and o-tolualdehyde.

• 한국세라믹학회지
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• 제42권3호
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• pp.198-204
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• 2005

본 연구에서는 규불화염, 가용성 실리카, 방향족계 고분자 축합물 그리고 잠열특성을 지닌 질산염계 무기화합물로 구성된 규불화염계 수화열 저감제를 시멘트 모르타르의 수화열 및 건조수축에 미치는 영향을 조사하였다. 규불화염계 수화열 저감제의 첨가로 시멘트 모르타르의 단열상승온도 및 건조수축에 의한 길이변화가 저감되는 특성을 나타내었다. 또한, 규불화염계 수화열 저감제가 첨가된 판상형 시멘트 모르타르 시험체의 균열 패턴을 측정한 결과, 수화열 저감과 건조수축에 의해 길이변화가 저감되는 복합적 효과를 통해 시멘트 모르타르의 균열저감성이 개선되는 것을 확인하였다.

• Molecular & Cellular Toxicology
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• 제5권2호
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• pp.99-107
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• 2009

Naphthalene is bicyclic aromatic compound that is widely used in various domestic and commercial applications including lavatory scent disks, soil fumigants and moth balls. Exposure to naphthalene results in the development of bronchiolar damage, cataracts and hemolytic anemia in humans and laboratory animals. However, little information is available regarding the mechanism of naphthalene toxicity. We investigated gene expression profiles and potential signature genes in human hepatocellular carcinoma HepG2 cells and human promyelocytic leukemia HL-60 cells after 3 h and 48 h incubation with the IC$_{20}$ and IC$_{50}$ of naphthalene by using 44 k agilent whole human genome oligomicroarray and operon human whole 35 k oligomicroarray, respectively. We identified 616 up-regulated genes and 2,088 down-regulated genes changed by more than 2-fold by naphthalene in HepG2 cells. And in HL-60, we identified 138 up-regulated genes and 182 down-regulated genes changed by more than 2-fold. This study identified several interesting targets and functions in relation to naphthalene-induced toxicity through a gene ontology analysis method. Apoptosis and cell cycle related genes are more commonly expressed than other functional genes in both cell lines. In summary, the use of in vitro models with global expression profiling emerges as a relevant approach toward the identification of biomarkers associated with toxicity after exposure to a variety of environmental toxicants.

• Bulletin of the Korean Chemical Society
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• 제32권7호
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• pp.2260-2266
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• 2011

4-Chlorotetrazolo[1,5-a]quinoxaline (III) was synthesized by azide (2+3) cycloaddition of 2,3-dichloroquinoxaline (II). Compound (III) on further refluxing with hydrazine hydrate furnished 4-hydrazinotetrazolo[1,5-a]quinoxaline (IV). Further refluxing of (IV) with different aromatic aldehydes in methanol yielded corresponding Schiff's bases V(a-j). Various 4-aminotetrazolo[1,5-a]quinoxaline based azetidinones VII(a-j) were synthesized by stirring the compounds V(a-j), at low temperature, with equimolar mixture of chloroacetylchloride & triethylamine in dry benzene, while 4-aminotetrazolo[1,5-a]quinoxaline based thiazolidinones VIII(a-j) were synthesized by refluxing Schiff's bases V(a-j) with thioglycolic acid in oil-bath. The structures of all the compounds were confirmed on the basis of $^1H$-NMR & FT-IR spectral data. All the newly synthesized compounds were screened for in-vitro antimicrobial activity against E. coli, S. aureus, K. pneumoniae & P. aeruginosa & antifungal activity against C. albicans. Few of them have exhibited the promising activity.

• Asian-Australasian Journal of Animal Sciences
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• 제30권5호
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• pp.720-727
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• 2017

Objective: The aim of this work was to determine the relationship between objective sensory descriptors and volatile flavour compound composition of Polish traditional dry-cured loin. Methods: The volatile compounds were investigated by using solid phase microextraction (SPME) and gas chromatography-mass spectrometry (GC-MS). For sensory assessment, the quantitative descriptive analysis (QDA) method was used. Results: A total of 50 volatile compounds were found and assigned to 17 chemical families. Most of the detected volatile compounds derived from smoking, lipid oxidative reactions and seasoning (46.8%, 21.7%, and 18.9%, respectively). The dominant compounds were: aromatic hydrocarbon (toluene); alkanes (hexane, heptane, and 2,2,4-trimethylpentane); aldehyde (hexanal); alcohol (2-furanmethanol); ketone (3-hydroxy-2-butanone); phenol (guaiacol); and terpenes (eucalyptol, cymene, ${\gamma}-terpinen$, and limonene). Correlation analysis showed that some compounds derived from smoking were positively correlated with the intensity of cured meat odour and flavour and negatively with the intensity of dried meat odour and flavour, while terpenes were strongly correlated with odour and flavour of added spices. Conclusion: The analysed dry-cured loins were characterized by specific and unique sensory profile. Odour and flavour of studied loins was mainly determined by volatile compounds originating from smoking, seasoning and lipid oxidation. Obtained results suggest that smoking process is a crucial stage during Polish traditional dry-cured loins production.

• BMB Reports
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• 제29권5호
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• pp.429-435
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• 1996

To investigate the structure-antagonistic relationship of the cyclohexapeptide L-659,877, a selective NK-2 tachykinin receptor antagonist, seven analogues were chemically synthesized by a solid phase method. The agonistic and antagonistic activities of the analogues were evaluated by contraction assay using the smooth muscle of guinea pig trachea (GPT) containing the NK-2 receptor. It was shown that the aromatic ring of Phe at position 3 and the sulfur group of Met at position 6 in L-659,877 were essential for binding to the NK-2 receptor. Decrease in antagonistic activity of L-659,877 caused by substituting Leu for Nle at position 5 indicates that the ${\gamma}$ methyl group and side chain length of Leu plays an important role in its antagonistic action. Although the activity was slightly lower than L-659,877, cyclo $[{\beta}Ala^{8}]NKA(4-10)$ (analogue 1) showed potential antagonistic activity for the NK-2 receptor. It was confirmed that the expansion of the ring in L-659,877 by substitution of ${\beta}Ala$ for Gly at position 4 stabilized its conformation monitored by CD spectra. The results suggest that analogue 1 can be used as a new leader compound to design a more powerful, selective, and stable NK-2 receptor antagonist.

• Korean Chemical Engineering Research
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• 제44권4호
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• pp.382-386
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• 2006

볏짚은 국내에서 유용한 재생 가능한 바이오매스이다. 유동층과 char 분리 장치가 구비된 벤치 규모 급속 열분해 장치와 제올라이트 촉매를 이용하여 볏짚으로부터 바이오 오일의 생산에 대한 실험을 수행하였다. 본 연구는 제올라이트 촉매의 첨가에 따른 볏짚의 열분해 생성물의 분포와 바이오 오일의 화학적 구성을 알아보기 위한 것이다. 볏짚의 촉매 열분해 결과 무촉매 열분해에 비해 기체, char 성분은 증가하고 액체 성분은 감소하였다. 또한, 오일 중 수분이 탈산소의 영향으로 증대된 결과를 가져왔다. 촉매 열분해의 경우 오일 성분 중의 aromatics 성분이 증대되었고 발열량이 증가하였다.

• 한국해양바이오학회지
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• 제1권4호
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• pp.275-281
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• 2006

3.4-dichloroaniline (DCA)를 함유한 최소배지에서의 집식배양과 배양 후 HPLC에 의한 잔류분석을 통해 3,4-DCA의 분해 능력이 우수한 균주 Arthrobacter sp. YM-14를 여천석유화학공단 인근의 갯벌에서 분리하였다. 분리균 YM-14는 1/10 LB 배지에 함유된 50 ppm의 3,4-DCA를 12 시간 만에 완전히 제거하였다. 이외에도 분리균 YM-14는 3-chloroaniline(CA), 2,5-DCA 및 3,5-DCA의 분해 활성을 나타내었으나 2-CA, 4-CA와 2,4-DCA에 대한 분해활성을 가지고 있지는 않았다. 또한, 분리균 YM-14에서 3,4-DCA의 유도에 의한 catechol 1,2-dioxygenase 활성의 증가가 관찰되었다. 이러한 결과는 catechol 1,2-dioxygenase이 3,4-DCA 분해에 관여하는 중요한 효소군중의 하나로 생각된다.