• Title/Summary/Keyword: Optimization

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3D-QSARs analyses for Tyrosinase Inhibitory Activity of 2-Phenyl-1,4-benzopyrone (Flavones) Analogues and Molecular Docking (2-Phenyl-1,4-benzopyrone 유도체 (Flavones)의 Tyrosinase 저해활성에 관한 3D-QSARs 분석과 분자도킹)

  • Park, Joon-Ho;Sung, Nack-Do
    • Journal of Applied Biological Chemistry
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    • v.53 no.4
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    • pp.225-231
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    • 2010
  • To understand the inhibitory activity with changing hydroxyl substituents ($R_l-R_9$) of polyhydroxy substituted 2-phenyl-l,4-benzopyrone analogues (1-25) against tyrosinase (PDB ID: oxy-form; 1WX2), molecular docking and the three dimensional quantitative structure-activity relationships (3D-QSARs: Comparative molecular field analysis (CoMFA) & Comparative molecular similarity indices analysis (CoMSIA)) were studied quantitatively. The statistically best models were CoMFA 1 and CoMSIA 1 model from the results. The optimized CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($dq^2'/dr_{yy'}^2$=1.009 & $q^2$=0.51l) by a progressive scrambling analysis were not dependent on chance correlation. The inhibitory activities with optimized CoMSIA 1 model were dependent upon electrostatic factor (51.4%) of substrate molecules. Contour mapping the 3D-QSAR models to the active site of tyrosinase provides new insight into the interaction between tyrosinase as receptor and 2-phenyl-l,4-benzopyrone analogues as inhibitor. Therefore, the results will he able to apply to the optimization of a new potent tyrosinase inhibitors.

Microwave Digestion and Solid-Phase Extraction for Determination of Aluminum in Human Urine by Graphite Furnace Atomic Absorption Spectrometer (흑연로 원자흡수 분광법에 의한 사람 오줌 중 알루미늄의 정량을 위한 마이크로파 삭힘과 고체상 추출)

  • Kim, Young-Sang;Choi, Yoon-Seok
    • Analytical Science and Technology
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    • v.16 no.2
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    • pp.102-109
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    • 2003
  • Microwave digestion and solid-state extraction were studied for determination of trace aluminum{Al(III)} in human urine samples. A mixed acid of nitric acid and hydrogen peroxide was added to urine samples, organic materials were destructed in a home microwave oven and dried in a drying oven. The dried residues were dissolved in a sulfuric acid solution. The solution was eluted through a XAD-4 resin column adsorbed with 8-hydroxyquinoline(Oxine, HQ). Al(III)-8-hydroxyquinolinate complex was formed in the column and eluted with 0.5 M nitric acid solution. The Al(III) eluted was determined by graphite atomic absorption spectrophotometry. Various experimental conditions of followings were investigated for the optimization : the type of acid to dissolve the residues, the amount of HQ adsorbed on the resin, the pH of sample solutions, the type and concentration of acid to elute the complex from column and so on. The contents of Al(III) in real samples were determinated by a calibration curve method. The recovery in standard spiked samples was 94~101% and the detection limit of this procedure was 0.05 ng/mL.

Performance Analysis of Two-Loop Rankine Cycle for Engine Waste Heat Recovery (엔진 폐열 회수를 위한 이중 회로 랭킨 사이클 성능 해석)

  • Kim, Young Min;Shin, Dong Gil;Kim, Chang Gi;Woo, Se Jong;Choi, Byung Chul
    • Journal of Energy Engineering
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    • v.21 no.4
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    • pp.402-410
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    • 2012
  • A two-loop Rankine cycle for engine waste heat recovery of gasoline vehicle has been investigated. Water-steam cycle as a high-temperature (HT) loop for exhaust gas heat recovery and R-134a cycle as a low-temperature (LT) loop for both heat recovery of the engine coolant and the residual heat from the HT loop were considered. Energy and exergy analysis was performed to investigate the performance of the system. Because two volumetric expanders are used for the HT and LT loop, the sizes of two expanders are very important for the optimization of the system. The effects of pressure ratio of the HT loop, considering the size of the HT expander, and the condensation temperature of LT loop on the performance of the system at a target engine condition were investigated. This study shows that about 20% of additional power from the engine waste heat recovery can be obtained at the target engine condition.

Preliminary Assessment of Groundwater Artificial Recharge Effect Using a Numerical Model at a Small Basin (수치모델을 이용한 소분지에서의 지하수 인공함양 효과 예비 평가)

  • Choi, Myoung-Rak;Cha, Jang-Hwan;Kim, Gyoo-Bum
    • The Journal of Engineering Geology
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    • v.30 no.3
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    • pp.269-278
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    • 2020
  • In this study, the effects of groundwater artificial recharge through vertical wells in the upper small basin are preliminarily evaluated by using field injection test and a 3-D numerical model. The injection rate per well in a model is set to 20, 37.5, 60, and 75 ㎥/day based on the results of field injection test, groundwater levels, and hydraulic conductivities estimated from particle size analysis, and a numerical model using MODFLOW is conducted for 28 cases, which have diverse injection intervals, in order to estimated the changes of groundwater level and water balance after injection. Groundwater level after injection does not show a linear relationship with the injection rate per well, and the cumulative effect of artificial recharge decreases and the timing of maximum water level rise is shortened as the injection interval becomes longer. In four cases of continuous injection with total injection rate of 1,200 ㎥, it is revealed that the recharge effect is analyzed as 36.5~65.3% of the original injection rate. However, it will be more effective if the artificial recharge system combined with underground barrier is introduced for the longer pumping during a long and severe drought. Additionally, it will be possible to build a stable artificial recharge system by an establishment of efficient scenario from recharge to pumping as well as an optimization of recharge facilities.

Improvement of Somatic Cell Nuclear Transfer Technology for the Production of Disease Model Mouse: I. Optimization of Oocyte Enucleation and Reconstruction (질환모델마우스 생산을 위한 체세포핵이식방법 개선; I. 탈핵 및 재조합난자 생산기법 최적화)

  • Jun, S. H.;Shim, H. S.;Chung, H. M.;Lee, B. C.;Lee, E. S.;Ko, J. J.;Shin, T.;Park, C.;Hwang, W. S.;Cha, K. Y.;Lim, J. M.
    • Journal of Embryo Transfer
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    • v.15 no.3
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    • pp.247-253
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    • 2000
  • This study was undertaken to optimize enucleation and reconstitution methods for the production of cloned mice by somatic cell nuclear transfer Outbred ICR mouse oocytes at the metapahse- II stage were retrieved from female mice superovulated by PMSG and hCG. In Experiment 1, oocytes were enucleated in medium supplemented with cytochalasin B (CCB) of 3 levels (0, 7.5 or 15 $\mu\textrm{g}$/mL), and higher rate of encleation was obtained at 7.5 and 15 $\mu\textrm{g}$/mL than at $\mu\textrm{g}$/mL. In Experiment 2, oocytes enucleated in 7.5 $\mu\textrm{g}$/mL CCB-containing medium were reconstituted with different types of somatic cell by following methods; 1) cumulus cells by direct cell injection, 2) cumulus cells by electric fusion (1.25 kV/cm, 2 pulses for each 70 $mutextrm{s}$) or 3) STO cells by the electrofusion. Electrofusion of STO cells with enucleated oocytes yielded the greatest (P<0.05) rate of reconstitution without lysis (76%) than any other combinations. Although significant decrease in the rate of somatic cell introduction was found, the electrofusion of cumulus cells yielded better rate of reconstitution than direct injection (0 vs. 18%). In Experiment 3, the duration of electric stimulation for the fusion was changed to either 50 $mutextrm{s}$ or 90 $mutextrm{s}$, but no significant improvement of reconstitution efficacy was obtained. In conclusion, this study showed that ICR mouse oocytes could be used for the production of reconstituted oocytes and a fusion method of 1.25 KV/cm with 2 pulses using 570 cell was the optimal.

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Optimization in Analytical Method and Quantitation of Major Heat Principles from Soup Base of Commercial Ramens (시판 라면스프류 중의 매운맛 성분 분석 최적화 및 활용)

  • Kim, Hyeon-Wee;Kim, Young-Jun
    • Korean Journal of Food Science and Technology
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    • v.36 no.1
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    • pp.9-13
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    • 2004
  • Effective methods for extraction of hot taste component in red (capsaicin) and black (piperine) peppers and simultaneous HPLC analysis were established to estimate level of peppers used. Capsaicin and pipeline contents of red and black peppers were 48.75-87.58 and 2900-5520 mg/100 g, respectively, Contents of capsaicin and pipeline in ramen soup base were $2.47{\pm}1.49mg/100g$ and $46.20{\pm}16.10mg/100g$, and estimated levels of red and black peppers were $4.02{\pm}2.37%$ and $1.23{\pm}0.43%$, respectively, In bowl ramens contents of capsaicin and pipeline were $2.02{\pm}1.18mg/100g$ and $41.98{\pm}23.12mg/100g$, and estimated levels of red and black peppers were $3.28{\pm}1.92%$ and $1.09{\pm}0.60%$, respectively. Capsaicin and piperine contents of hot ramens were $4.83{\pm}2.69 mg/100 g$ and $69.49{\pm}20.03mg/100g$, and estimated levels of red and black peppers were $8.62{\pm}4.42%$ and $1.79{\pm}0.58%$, respectively. In bibimmen, capsaicin content was $14.29{\pm}5.72mg/100g$, and piperine was not detected, an indication that only red pepper was used as hot condiment.

Optimization of Extraction Method for the Quantitative Analysis of Gallic Acid from Cornus officinallis (산수유로부터 gallic acid 추출 및 HPLC에 의한 정량분석)

  • Jang, Mi;Kim, Yeon-Ju;Min, Jin-Woo;Yang, Deok-Chun
    • Korean Journal of Food Science and Technology
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    • v.41 no.5
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    • pp.498-502
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    • 2009
  • Cornus fructus has been used as a tonic, astringent, and haemostatic agent in Korea, China, and Japan. In this study, the fruit of Cornus officinalis was treated with different osmotic pressures, pH values, heat, and ethanol percentages in order to establish optimum extraction conditions for gallic acid, an example of a hydrolyzable tannin. The extract was analyzed by HPLC and LC-MS/MS to identify the gallic acid. As a result, the highest extraction rate of gallic acid (1.57 mg/g) occurred when the Cornus fructus was extracted with 100% ethanol for 1 hr at $80^{\circ}C$. Also, when it was treated with 70% ethanol for 24 and 48 hr, contents of gallic acid were 1.35 and 1.50 mg/g, respectively.

Microbial bioconversion of natural Philippine nut oils into a value-added hydroxy fatty acid, 7,10-dihydroxy-8(E)-octadecenoic acid (미생물 생변환을 통한 필리핀 너트유로부터 기능성 지방산 7,10-dihydroxy-8(E)-octadecenoic acid 생산)

  • Dasangrandhi, Chakradhar;Ellamar, Joel B.;Kim, Young Soon;Kim, In Hwan;Kim, Hak-Ryul
    • Korean Journal of Food Science and Technology
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    • v.49 no.1
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    • pp.28-34
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    • 2017
  • Biocatalytic modification of natural resources can be used to generate novel compounds with specific properties, such as higher viscosity and reactivity. The production of hydroxy fatty acids (HFAs), originally found in low quantities in plants, is a good example of the biocatalytic modification of natural vegetable oils. HFAs show high potential for application in a wide range of industrial products, including resins, waxes, nylons, plastics, lubricants, cosmetics, and additives in coatings and paintings. In a recent study, Pseudomonas aeruginosa strain PR3 was used to produce 7,10-dihydroxy-8(E)-octadecenoic acid (DOD) from oleic acid. This present study focused primarily on the utilization of three natural nut oils obtained from the Philippines -pili nut oil (PNO), palm oil (PO), and virgin coconut oil (VCO)- to produce DOD by P. aeruginosa strain PR3. Strain PR3 produced DOD from PNO and PO only, with PNO being the more efficient substrate. An optimization study to achieve the maximum DOD yield from PNO revealed the optimal incubation time and medium pH to be 48 h and 8.0, respectively. Among the carbon sources tested, fructose was the most efficiently used, with a maximum DOD production of 130 mg/50 mL culture. Urea was the optimal nitrogen source, with a maximum product yield of 165 mg/50 mL culture. The results from this study demonstrated that PNO could be used as an efficient substrate for DOD production by microbial bioconversion.

XML View Indexing Using an RDBMS based XML Storage System (관계 DBMS 기반 XML 저장시스템 상에서의 XML 뷰 인덱싱)

  • Park Dae-Sung;Kim Young-Sung;Kang Hyunchul
    • Journal of Internet Computing and Services
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    • v.6 no.4
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    • pp.59-73
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    • 2005
  • Caching query results and reusing them in processing of subsequent queries is an important query optimization technique. Materialized view and view indexing are the representative examples of such a technique. The two schemes had received much attention for relational databases, and have been investigated for XML data since XML emerged as the standard for data exchange on the Web. In XML view indexing, XML view xv which is the result of an XML query is represented as an XML view index(XVI), a structure containing the identifiers of xv's underlying XML elements as well as the information on xv. Since XVI for xv stores just the identifiers of the XML elements not the elements themselves, when xv is requested, its XVI should be materialized against xv's underlying XML documents. In this paper, we address the problem of integrating an XML view index management system with an RDBMS based XML storage system. The proposed system was implemented in Java on Windows 2000 Server with each of two different commercial RDBMSs, and used in evaluating performance improvement through XML view indexing as well as its overheads. The experimental results revealed that XML view indexing was very effective with an RDBMS based XML storage system while its overhead was negligible.

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Optimization of Synthesis Condition and Determination of Residue for Polyamine Type Flocculant (폴리아민계 고분자 응집제의 합성조건 최적화 및 잔류물분석)

  • Choi, Soo-Young;Park, Lee-Soon;Im, Sung-Hyun;Ryoo, Jae-Jeong;Choi, Sang-June;Hwang, Won-Joo
    • Applied Chemistry for Engineering
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    • v.9 no.7
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    • pp.1043-1046
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    • 1998
  • Aluminium based inorganic flocculants are extensively used in this country in the removal of fine particles present in the raw water for the production of drinking water. These inorganic flocculants, however, have potential hazard of high residual aluminium ions in the treated waters, which is known to be one of the reasons of alzheimer's disease. Inorganic flocculants alone are sometimes incapable of treating water when there are excessive turbidity in the raw water sources due to flooding. A polyamine type polymeric flocculant has long been used to treat raw water in the drinking water production in the European countries and United State of America. The optimum reaction conditions such as mole ratio of epichlorohydrin(EPI) to dimethylamine(DMA), reaction temperature and time for each stage for the pilot scale preparation of polyamine from EPI-DMA was studied in this work. The variation of intrinsic viscosity and flocculating efficiency in the water treatment of the synthesized polyamines were evaluated. The residual materials after polymerization reaction were analyzed by gas chromatography to study the effect of variation of reaction conditions.

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