• Mass Spectrometry Letters
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• 제10권1호
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• pp.18-26
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• 2019

We developed a bioanalytical method for simultaneous determination of nine NBOMe derivatives (25H-NBOMe, 25B-NBOMe, 25E-NBOMe, 25N-NBOMe, 25C-NBOH, 25I-NBOH, 25B-NBF, 25C-NBF, and 25I-NBF) in human plasma using liquid chromatography tandem mass spectrometry (LC-MS/MS). Human plasma samples were pre-treated using solid-phase extraction. Separation was achieved on a C18 column under gradient elution using a mobile phase containing 0.1% formic acid in acetonitrile and 0.1% formic acid in water at a flow rate of 0.3 mL/min. Mass detection was performed in the positive ion mode using multiple reaction monitoring. The calibration range was 1-100 ng/mL for all quantitative analytes, with a correlation coefficient greater than 0.99. The intra- and inter-day precision and accuracy varied from 0.85 to 6.92% and from 90.19 to 108.69%, respectively. The recovery ranged from 86.36 to 118.52%, and the matrix effects ranged from 27.09 to 99.72%. The stability was acceptable in various conditions. The LC-MS/MS method was validated for linearity, accuracy, precision, matrix effects, recovery and stability in accordance with the FDA guidance. The proposed method is suitable for reliable and robust routine screening and analysis of nine NBOMe derivatives in forensic field.

• 해양환경안전학회지
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• 제7권3호
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• pp.61-74
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• 2001

The prevention of marine accidents has been a major topic in marine society and various policies and countermeasures has been developed, applied to the industries. Formal Safety Assessment is a structured and systematic methodology, aimed at enhancing maritime safety, including protection of life, health, the marine environment and property, by using risk and cost-benefit assessments. In addition, it provides a means of being proactive, enabling potential hazards to be considered before a serious accident occurs. In this paper, we has been screening and ranking of hazards using fuzzy structural modeling method and quantitative risk assessment for the ship's collision in the last 10 years marine accidents.

• 생명과학회지
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• 제23권4호
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• pp.537-541
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• 2013

Biodiesel 중의 glycerol을 분석하기 위하여 TLC를 이용하여 몇 가지 보고된 이동상에서 glycerol을 분석하였다. 그 중에서 acetonitrile : distilled water (85:15, v/v)를 이동상으로 하여 TLC를 수행하였을 경우에 짧은 시간에 명확한 glycerol band를 확인할 수 있었다. X축의 glycerol 농도를 log scale로 하고, TLC의 glycerol 이미지 면적을 Y축으로 하여 3.0-0.0625 (%, w/v)의 glycerol 농도범위에서 표준곡선을 작성할 수 있었으며, 이를 이용하여 0.2 (%, w/v)의 glycerol을 포함하는 biodiesel 시료에서 유의성 있게 glycerol을 정량분석 할 수 있음을 확인하였다. 이러한 결과는 chemical assay, enzymatic assay를 이용한 glycerol 분석과 비교하여 매우 유사한 결과이며, TLC를 이용한 biodiesel 중의 glycerol 정량법은 특별한 분석기기를 사용할지 않아도 되는 편리하고 간편한 방법으로 생각되어진다.

• 한국융합학회논문지
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• 제10권3호
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• pp.23-30
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• 2019

본 연구는 당뇨병 치료제 후보약물 정보를 이용하여 항당뇨에 영향을 미치는 물질구조를 발견하는데 목적이 있다. 정량적구조 활성관계를 이용한 기계 학습 모델을 만들고 부분최소자승 알고리즘을 통해 실험데이터 별로 결정계수를 파악한 후 변수중요도척도를 활용하여 주요 분자표현자를 도출하였다. 연구 결과, 후보약물 구조정보를 반영한 molecular access system fingerprint 데이터로 분석한 결과가 in vitro 데이터를 이용한 분석 결과보다 설명력이 높았으며, 항당뇨에 영향을 미치는 주요 분자표현자 역시 다양하게 도출할 수 있었다. 제안된 항당뇨 예측 및 주요인자 분석 방법을 활용한다면 유사한 과정을 반복 실험하는 기존 신약개발 방식과는 달리, 많은 비용과 시간이 소요되는 후보물질 스크리닝 (screening) 기간을 최소화하고, 신약개발 탐색기간도 단축하는 계기가 될 수 있을 것으로 기대한다.

• KSBB Journal
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• 제19권5호
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• pp.394-398
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• 2004

A derivatization method in mass spectrometry for small molecular analysis was developed to solve the problems of volatility of many analytes, difficult ionization of analytes, and undiscriminating isobaric analytes. This derivatization method, oximation of $\alpha$-ketoacid, in the transaminase reaction leads to change of mass difference between amine reactants and ketoacid products. In addition, regardless of the kinds of ketoacid, the linear relationship between the peak intensity and its concentration (from 1 mM to 10 mM) shows that quantitative analysis of the conversion of the reaction can be executed by the analysis of peak intensity of the corresponding oximated ketoacids. Furthermore, this method can be used for identifying transaminase as well as determining its substrate specificity

• Applied Biological Chemistry
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• 제39권6호
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• pp.419-423
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• 1996

SOS chromotest 방법을 이용하여 천연물에 포함된 항변이원성 물질의 활성을 정량화 할 수 있는 항변이원 활성단위 측정법을 개발하였다. 이 방법에 의하여 시료의 항변이원 활성을 특정 화학적 변이원이 유도하는 변이원성이 표준측정 조건하에서 50% 억제되는 시료의 양으로 수치화하는 것이 가능하게 되었다. 확립된 방법으로 쌀의 품종별 항변이원 활성 및 기타 곡류의 항변이원 활성을 조사하였다. 그 결과 변이품종 쌀인 자도와 향도가 취반용으로 사용되는 추청보다 항변이원 활성이 높았고, 일반적으로 검정콩이나 팥과 같은 잡곡의 항변이원 활성이 현미보다 높았다.

• Bulletin of the Korean Chemical Society
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• 제35권7호
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• pp.2097-2108
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• 2014

Chemical feature based quantitative pharmacophore models were generated using the HypoGen module implemented in DS2.5. The best hypothesis, Hypo1, which was characterized by the highest correlation coefficient (0.96), the highest cost difference (61.60) and the lowest RMSD (0.74), consisted of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic and one ring aromatic. The reliability of Hypo1 was validated on the basis of cost analysis, test set, Fischer's randomization method and GH test method. The validated Hypo1 was used as a 3D search query to identify novel inhibitors. The screened molecules were further refined by employing ADMET, docking studies and visual inspection. Three compounds with novel scaffolds were selected as the most promising candidates for the designing of Mcl-1 antagonists. Finally, a 10 ns molecular dynamics simulation was carried out on the complex of receptor and the retrieved ligand to demonstrate that the binding mode was stable during the MD simulation.

• 환경영향평가
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• 제11권3호
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• pp.223-230
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• 2002

The rapid impact assessment matrix (RIAM) might be a new tool for performance of an environmental impact assessment (EIA), comparing with many traditional methods of EIA, which have produced large reports setting out the subjective judgement reached by the assessors. The main criticisms of E1A are in part a natural result of the traditional method used. RIAM uses a structured matrix to allow for such judgement, both subjective and those based on quantitative data, to be made on a like-by-like basis, and provided a transparent and permanent record of the judgement made. Also, the computerized RIAM system using software program allows for the matrix to be shown in graphical form, which greatly enhances the clarity of the results produced by this method. RIAM provides a system by which development options and scenarios can be rapidly evaluated. To illustrate the use of RIAM, an example from an EIA study using application of scoping by assessment criteria in Environmental Impact Regulation of Korea was given. The criteria that might be used to evaluation EIA methods, and how RIAM measures up against these criteria, are discussed.

• 대한핵의학회지
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• 제16권2호
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• pp.63-70
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• 1982

To evaluate the diagnostic usefulness and significance of quantitative sacroiliac joint scintigraphy in the assessment of sacroiliitis, we measured Sacroiliac Joint/Sacrum Uptake Ratio(SIS Ratio) by region of interest(ROI) method using $^{99m}Tc-methylene$ diphosphonate. The observed results were as follows: 1. Using ROI method, the SIS ratios for the control group of 65 persons were $1.05{\pm}0.08$(left) and $1.06{\pm}0.07$(right) which were narrower in range than those of slice method $(mean{\pm}S.D.)$. 2. The effects of age, gender and laterality on SIS ratio were not significant. 3. In left side, one of 6 patients with rheumatoid arthritis had SIS ratio in excess of 2 standard deviation of normal control group, and remainder had SIS ratios within normal limit. In right side, 3 patients had SIS ratios in excess of 2 standard deviation of normal control group, and remainder, within normal limit. 4. In both sacroiliac joint, 2 of 3 patients having sacroiliitis clinically with Reiter's syndrome whose pelvis A-P X-ray findings showed normal had high SIS ratios (left/right; 1.31/1.69, 1.90/1.80), but SIS ratio of one patient who had no evidence of sacroiliitis clinically was within normal limit. 5. In 6 patients with ankylosing spondylitis in both sacroiliac joints, 4 whose pelvis A-P Xray findings showed severe sclerotic change of sacroiliac joints had SIS ratio within normal limit or below that of normal control group, and SIS ratios of 2 patients whose pelvis A-P X-ray findings showed were increased. 6. 4 of 5 patients with low back pain of which cause could not be evaluated clinically and radiologically had SIS ratios in excess of that of normal control group. It would be concluded that quantitative sacroiliac joint scintigraphy is useful and sensitive screening method in the diagnosis as well as in the assessment clinical activity of sacroiliitis.

• Journal of Crop Science and Biotechnology
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• 제11권4호
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• pp.269-276
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• 2008

Field resistance is defined as the resistance that allows effective control of a parasite under natural field condition and is durable when exposed to new races of that parasite. To identify the genes for field resistance to rice blast, quantitative trait loci (QTLs) conferring the resistance for races and blast nursery screening in japonica rice cultivars were detected and mapped using SSR markers. QTL analysis was carried out in 190 RILs population from the cross between Suweon365 (moderately resistant) and Chucheong (highly susceptible). Twelve QTLs against nine blast races inoculated were detected on chromosomes 1, 2, 4, 6, 7, 11 and 12. They explained from 5.1% to 34.9% of total phenotypic variation. Eight QTLs against blast nursery screening in four regions for three years were detected on chromosomes 1, 2, 4, 11 and 12. The phenotypic variation explained by each QTL ranged from 4.3% to 37.7%. Three chromosome segment substitution lines (CSSLs) of $BC_2F_6$ by backcross method were developed to transfer the QTLs into the susceptible cultivar Chucheong as a recurrent parent. A CSSL4-1 containing two QTLs qLB6.2 and qLB7 against blast races showed to the reaction of 6 to 7 at blast nursery in two regions for two years. The CSSL4-2 and CSSL93 containing QTLs, qLB11.2 and qLB12.1 of the resistance against leaf blast in blast nursery screening, respectively, had enhanced the resistance for blast nursery screening across two regions and in two years.