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2D-QSAR analysis for hERG ion channel inhibitors (hERG 이온채널 저해제에 대한 2D-QSAR 분석)

  • Jeon, Eul-Hye;Park, Ji-Hyeon;Jeong, Jin-Hee;Lee, Sung-Kwang
    • Analytical Science and Technology
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    • v.24 no.6
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    • pp.533-543
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    • 2011
  • The hERG (human ether-a-go-go related gene) ion channel is a main factor for cardiac repolarization, and the blockade of this channel could induce arrhythmia and sudden death. Therefore, potential hERG ion channel inhibitors are now a primary concern in the drug discovery process, and lots of efforts are focused on the minimizing the cardiotoxic side effect. In this study, $IC_{50}$ data of 202 organic compounds in HEK (human embryonic kidney) cell from literatures were used to develop predictive 2D-QSAR model. Multiple linear regression (MLR), Support Vector Machine (SVM), and artificial neural network (ANN) were utilized to predict inhibition concentration of hERG ion channel as machine learning methods. Population based-forward selection method with cross-validation procedure was combined with each learning method and used to select best subset descriptors for each learning algorithm. The best model was ANN model based on 14 descriptors ($R^2_{CV}$=0.617, RMSECV=0.762, MAECV=0.583) and the MLR model could describe the structural characteristics of inhibitors and interaction with hERG receptors. The validation of QSAR models was evaluated through the 5-fold cross-validation and Y-scrambling test.

Current status and prospects of blueberry genomics research (블루베리 유전체 연구현황 및 전망)

  • Kim, Jin Gook;Yun, Hae Keun
    • Journal of Plant Biotechnology
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    • v.42 no.4
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    • pp.336-341
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    • 2015
  • Blueberry (Vaccinium spp.) is a bush that grows well at special cultural environments such as acid soil, high organic matter content, and a good drainage and aeration compared to other general crops. Blueberries are well known to contain high amounts of anthocyanins and phenolic compounds, resulting in high antioxidant activity that provides health benefits, and expanding the cultivation areas and consumer's demand in the worldwide. However, the full genome of blueberry has not been announced until now. Furthermore, the genomic analysis and transcriptome approaches are not so popular compare to major crops such as orange, apple, and grape. The aim of the review about blueberry genomic research is to establish the platform for setting blueberry breeding target, increasing proficiency of blueberry research, and making the practical cultivation techniques in Korea. The main topics in the blueberry genomic research including transcriptome, genetic mapping, and various markers are related with cold hardiness, chilling requirement, hot tolerance, anthocyanin content, and flavonoid synthesis pathway on various tissues like flower bud, leaf bud, shoot, root, and berry fruit. The review of the current status of blueberry genomic research will provide basic information to the breeders and researchers and will contribute to development of blueberry industry with sustainable productions and increase of blueberry consumption as new profitable crops in Korea.

Determination of individual sugars in different varieties of persian grape using Near Infrared spectroscopy

  • Kargosha, Kazem;Azad, Jila;Lary, Abas Motamed
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1527-1527
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    • 2001
  • Glucose, fructose and sucrose being the main sugars that can be found in natural fruit juice. Many instrumental methods, such as GC, LC, electrochemical or spectrometric methods provide information about both the total content of sugars and the specific concentration of each carbohydrate[1]. The simplicity of sample handling and measurement in the near IR(NIR) wavelength region, which allows the use of long pathlength, optical glass cells and optical fibers, makes NIR a good alternative for sugar determination [2]. In the present study, six varieties of persian grapes were harvested at intervals through august to october and analysed for sugars by NIR. The results were processed by principal component regression (PCR) and partial least squares (PLS) analysis. Sample juice was prepared by squeezing through gauze from crashed grape. This solution was treated by zinc ferrocyanide prior to analysis in order to eliminate colored compounds and all optically active nonsugar substances. For glucose and fructose the most characteristic wavelengths were 1456nm corresponding to the first harmonic O-H stretching and the second at 2062nm corresponding to O-H stretching and deformation; secondary characteristic combination bands were also seen at 2265 nm (O-H and C-C stretching) and at 2240 nm (C-H and C-C stretching). However these spectra were taken over a wavelength range from 1100-2500nm at room temperature of 25-$30^{\circ}C$. To test the accuracy of the described procedure, samples of six varieties of grape were analysed by the proposed NIR and a standard method[2]. Good agreement were found between these two sets of the results. To perform the recovery studies , samples of grape juices previously analysed by the proposed method, were spiked with known amounts of each individual sugars and then analysed again. Relative standard deviations varied from 1.4 to 1.8% for six independent measurements of individual and total sugar concentration. In the analysis of real and synthetic samples, precise and accurate results were obtained , providing accuracy errors lower than 1.9% in all cases. Average recoveries of ${97}{\pm}{4%}$ for total sugar and between ${95}{\pm}{5%}$ and ${99}{\pm}{2%}$ for sing1e sugars demonstrate the applicability of the methodology developed to the direct analysis of grape Juice.

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The Development of Squid(Todarodes pacificus) Sik-hae in Kang-Nung District -1. The Effects of Fermentation Temperatures and Periods on the Properties of Squid Sik-hae- (강릉지방의 오징어 식해 개발에 관한 연구 -1. 숙성온도 및 기간에 따른 성분변화-)

  • KIM Sang-Moo;JEONG In-Hak;CHO Young-Je
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.27 no.3
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    • pp.215-222
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    • 1994
  • Kang-Nung sik-hae is a traditional Korean fermented fish product which has remained in existence in Kang-Nung district. In order to preserve the traditional culture of Kang-Nung sik-hae and develop it as a commercial product, the property changes of sik-hae were investigated at different fermentation temperatures and periods. The chemical changes during the fermentation of squid(Todarodes pacificus) sik-hae were studied at different fermentation temperatures and periods. The amounts of proximate compositions and salinity did not change significantly at all fermentation temperatures and periods. The value of pH decreased with increasing storage period at all fermentation temperatures except at $5^{\circ}C$, whereas that of lactic acid at all fermentation temperatures increased. The amount of total arginine increased slightly up to 10-day of storage and decreased after that. The amount of $NH_2-N$ increased rapidly up to 15-day of storage at all temperatures and increased slightly after that. The amount of TMAO decreased significantly at $15^{\circ}C\;and\;20^{\circ}C$ and slightly at $5^{\circ}C\;and\;10^{\circ}C$, whereas that of TMA increased significantly at $20^{\circ}C$ up to 5-day of storage and decreased slightly after that. At all experimental temperatures except $5^{\circ}C$, the amount of TMA increased or fluctuated in proportion to the increase in fermentation periods. Inosine and hypoxanthine were the main components of nucleotides and their related compounds during the fermentation of sik-hae. Summarizing the above results, the optimum fermentation period of sik-hae was concluded to be 15-days at all experimental temperatures except $5^{\circ}C$.

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Studies on the Taste Properties in Processing of Accelerated Low Salt-Fermented Anchovy by adding koji (코오지를 이용한 속성 저식염 멸치젓의 맛 특성)

  • 백승화;임미선;김동한
    • The Korean Journal of Food And Nutrition
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    • v.9 no.4
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    • pp.398-403
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    • 1996
  • To produce low salt fermented anchovy by an accelerated method with Asp. oryzae and Bacillus sp. koji and taste properties after the 60 day fermentation were examined. The main free amino acids of 60 day fermented anchovy paste were valine, isoleucine, proline, alanine, lysine, glutamic acid and aspartic acid. Total amount of free amino acids was the highest in non koji anchovy paste wit 2,624.76mg%. Among the koji added samples, Asp. oryzae koji added on was the highest in the amount o free amino acids. Hypoxanthine accounted for 84.14~95.4% of total nucleotides and their related compounds; Asp. oryzae koji added anchovy paste was the highest in nucleotides other related. Citric acid and lactic acid accounted for 94.9~96.7% of total non-volatile organic acids; Asp. oryzae koji added sample was the highest in non-volatile organic acids with 287.93mg%. The Hunter a and b values gradually increased during the fermentation, but the L value decreased until day 30 or 40 and increased steadily after that. The a and b values were higher in the use of Asp. oryzae koji than in Bccillus sp. koji, but the L value was to the contrary. The Asp. oryzae koji added anchovy paste was good in the aspect of color and taste compared to others. In the aspect of odor, the anchovy paste using the mixture of Asp. oryzae and Bacillus sp. koji was the best. Overall aceptability of sensory evaluation was higher in the mixture of Asp. oryzae and Bacillus sp. koji tan in the others.

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Studies on the Tobacco Growth Characteristics under Environmental Conditions between KOREA and U.S.A. (한국과 미국의 재배환경 요인과 담배생육비교)

  • 구한서;박현석;유정은;장기운;이용득
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.31 no.4
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    • pp.454-464
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    • 1986
  • To find main factors to affect tobacco culture and quality, NC 2326 (Nicotiana tabacum L.) was cultivated in Korea and in the United States under different plant density, fertilization, mulching and curing. Among the chemical characteristics of the both experimental soils, the organic matters were similar concentration in both locations but effective phosphorous contents were higher in Oxford in the United States. Plant height, length and width of the largest leaf, leaf thickness, and midrib ratios were larger in Oxford than in Suwon in Korea. Also they were larger in non mulching system than in mulching system. But the total numbers of the leaves were decreased in non mulching system. The content of nicotine was higher in the plant grown in Suwon than in Oxford. The concentrations of nicotine and sugar tend to increase in mulching system comparing of non mulching system. During the growing, the concentration of non-volatile organic acids was higher in Suwon, while it was lower in cured leaf produced in Suwon. Also the contents of total fatty acids were lower in the harvested leaf grown in Suwon, but not in cured tobacco. Forty three compounds identified among the volatile oils from these experimental samples were quantified. The concentrations of the major components related to the tobacco flavour such as damascone, damascenone, solanone, nor-solanadione, and megastigmatrienones were higher in the cured tobacco produced in Oxford rather than in Suwon.

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Effect of Biotic Substances on Isoflavone Content in Soybean Germination (Biotic 물질이 콩 발아 중 Isoflavone 함량에 미치는 영향)

  • Kim, Seo-Young;Song, Young-Ho;Yi, Yoo-Jung;Kim, Hong-Sik;Kim, Yong-Ho
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.65 no.2
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    • pp.84-92
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    • 2020
  • For humans, soybean and soybean products are the main dietary sources of isoflvones, which are polyphenolic compounds that represent one of the most common categories of phytoestrogens. The objective of this study was to determine isoflavone concentrations in soybean cultivars during germination when treated with some biotic substances. Three soybean cultivars were germinated in replicated trials in 2018/2019 and their individual and total isoflavone concentrations were determined using HPLC (High-Performance Liquid Chromatography). Significant differences were observed in total isoflavone content were observed among cultivars regardless of years and treatments. 'Daepung2-ho' and 'Uram' had significantly higher total isoflavones than 'Pungsannaul-kong'. Differences among treatments were also significant for total isoflavone content. In 2018, with chitosan treatment, total isoflavone concentration ranged from 551.15 to 7584.07 ㎍ g-1, with an average of 2972.64 ㎍ g-1 across cultivars. In 2019, there was no significant difference among treatments in total isoflavone content. Regarding individual isoflavone concentrations, the malonyl-glucoside groups accounted for over 85% of the total isoflavone content, which is indicated that these groups play an important role with regard to isoflavone components in soybean seeds. The individual proportions in the total concentrations of isoflavones varied according to germination period and seed tissues. Glucosides and malonyl-glucosides showed differences in concentrations among seed tissues, aglycones were further accumulated as germination period was progressed. This study suggests that biotic substances have an impact on seed isoflavone content during germination. However, cultivars with consistently high or low isoflavone concentrations across biotic substance treatments were identified desspite differences in germination period and seed tissues, demonstrating that the genetic factor plays the most important role in isoflavone accumulation.

The Change of Components of Distilled Soju Using Different Fermentation Agents (다양한 발효제를 이용한 증류식소주의 성분 변화)

  • Moon, Sae-Hee;Cheong, Chul
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.8
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    • pp.466-473
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    • 2018
  • The purpose of this study is to develop a distilled soju with high quality and stable brewing technology by analyzing the changes of general components and volatile components in the production of distilled soju by the use of fermentation agent such as koji and nuruk. White rice flour was used as a main raw material. White koji, yellow koji, traditional nuruk, and improved nuruk were used as a fermentation agent respectively. Also, yellow koji, traditional nuruk, and improved nuruk were added at a certain ratio to prepare white koji. The distillate was prepared by vacuum distillation and the quality characteristics were compared and analyzed. When the fermentation agent was used alone, the alcohol content was higher in the order of white koji, improved nuruk, yellow koji, and traditional nuruk. The initial acidity was higher than that of other fermentation agents and the highest alcohol content was found to be helpful for stable brewing. The highest content of higher alcohol was found in the yellow koji mash, and ethyl acetate was the highest in the traditional nuruk. When the fermentation agents were mixed, there was no difference in the alcohol content between $1^{st}$ fermentation mash and $2^{nd}$ fermentation mash. On the other hand, the content of higher alcohol was increased with the increase of the input ratio of yellow koji, and it decreased with the increase of the ratio of traditional and improved nuruk. It is expected that it will be possible to manufacture various distilled soju with different flavor and aroma if the yellow koji and the traditional nuruk are appropriately used based on the white koji having excellent fermentation characteristics and it will be very helpful for improving the stability and quality of brewing.

Biological Treatment of Wastewater Containing Chlorinated Phenols by a Mixed Culture (복합미생물제재를 이용한 염소화 페놀계 폐수의 생물학적 처리)

  • 오희목;이완석;정상욱;박찬선;윤병대;김장억
    • Microbiology and Biotechnology Letters
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    • v.29 no.2
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    • pp.115-121
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    • 2001
  • Biological Treatment of Wastewater Containing Chlorinated Phenols by a Mixed Culture. Lee, Wan-Seok1, Sang-Wook Jung, Chan-Sun Park, Byung-Dae Yoon, Jang-Eok Kim\ and Hee-Mock Oh*. Environmental Bioresources Laboratory, Korea Research Institute of Biosicence and Biotechnology, Taejon, Korea, 1 Department of Agricultural Chemistry, Kyungpool< National University, Taegu, Korea - The biodegradation of chlorinated phenols in an artificial wastewater was investigated using a mixed culture. The mixed culture was composed of 8 microorganisms isolated from the soil contaminated with various chlorinated phenols. Pseudomonas sp. BM as a main constituent of a mixed culture was Gram-negative, catalase- and oxidase-positive, and rod-shaped, and did not grow at 41°C. It degraded 99% of initial 500 mg!1 of pentachlorophenol (PCP) in the minimal salts medium as a sole source of carbon and energy within 3 days. The degradation efficiency of Pseu.domon.as sp. BM was not affected by the other organic carbon and nitrogen compounds. Pseudomonas sp. BM was able to grow in a broad range of pH 5 - 8, and degrade 2,000 mg/1 PCP. In the experiment with an artificial wastewater containing chlorinated phenols, the degradation efficiency of the mixed culture was the range of 73% (2,4-dichlorophenol) -96% (2-chlorophenol) during an incubation of 7 days. In a continuous culture experiment, the degradation efficiency of mixed culture plus activated sludge was about 2 times higher than that of the control containing only activated sludge. These results indicate that it is possible to apply the mixed culture to other wastewaters containing chlorinated phenols. Key words: Biodegradation, chlorinated phenols, pentachlorophenol, Pseudomonas sp. BM

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Determination of Arsenic in Water by ICP-DRC/MS (ICP-DRC/MS를 이용한 수중의 비소 측정)

  • Jeong, Gwan-Jo;Kim, Dok-Chan;Park, Hyeon
    • Journal of Korean Society of Environmental Engineers
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    • v.28 no.6
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    • pp.620-625
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    • 2006
  • In this investigation, an ICP-DRC/MS method to measure arsenic with ultra-trace concentration without any interference by the compounds such as $^{40}Ar^{35}Cl^+\;and\;^{40}Ca^{35}Cl^+$, which disturb the precise measurement of arsonic was described. Thus, the oxgen was introduced into the dynamic reaction cell as reaction gas and reacted with arsenic ion created in plasma gas, $AsO^+$ was formed and detected with m/z of 91 by ICP-MS. It resulted in better detection limit than the old method with m/z of 75($As^+$). The optimum condition for oxygen supply as the reaction gas was 0.5 mL/min. The analytical features of the method are as follows: detection limit of $0.02{\mu}g/L$, precision(RSD) of 3.4%, and recovery of 96%. Arsenic in the water samples from the tributary streams to the Han River and the main stream of Paldang were analyzed with this method to identify the characteristics in its distribution. The concentration of As ranged from 0.53 to $1.26{\mu}g/L$. We could measure As with very low concentration, less than $1.0{\mu}g/L$, with excellent reproducibility. The method developed is expected to be applied to analyze As of the samples from sea water, food, and domestic and industrial waste water which have high concentration of Cl and/or Ca.