• 제목/요약/키워드: Difference coefficient (D)

검색결과 327건 처리시간 0.024초

A Combined Pharmacophore-Based Virtual Screening, Docking Study and Molecular Dynamics (MD) Simulation Approach to Identify Inhibitors with Novel Scaffolds for Myeloid cell leukemia (Mcl-1)

  • Bao, Guang-Kai;Zhou, Lu;Wang, Tai-Jin;He, Lu-Fen;Liu, Tao
    • 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.

사각판재 보론강을 사용한 유체냉각공정에서의 열변형 해석 (Thermal Deformation Simulation of Boron Steel Square Sheet in Fluid Cooling Process)

  • 서창희;권태하;전효원;오상균;박춘달;최현열;문원식
    • 소성∙가공
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    • 제26권1호
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    • pp.5-10
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    • 2017
  • Fluid cooling is one of the manufacturing processes used to control mechanical properties, and is recently used for hot stamping of automobile parts. The formed part at room temperature is heated and then cooled rapidly using various fluids in order to obtain better mechanical properties. The formed part may undergo excessive thermal deformation during rapid cooling. In order to predict the thermal deformation during fluid cooling, a coupled simulation of different fields is needed. In this study, cooling simulation of boron steel square sheet was performed. Material properties for the simulation were calculated from JMatPro, and three convection heat transfer coefficients such as water, oil and air were obtained from the experiments. It was found that the thermal deformation increased when the difference of cooling rate of sheet face increased, and the thermal deformation increased when the thickness of sheet decreased.

Genetic Diversity of Wild Quail in China Ascertained with Microsatellite DNA Markers

  • Chang, G.B.;Chang, H.;Liu, X.P.;Zhao, W.M.;Ji, D.J.;Mao, Y.J.;Song, G.M.;Shi, X.K.
    • Asian-Australasian Journal of Animal Sciences
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    • 제20권12호
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    • pp.1783-1790
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    • 2007
  • The genetic diversity of domestic quail and two wild quail species, Japanese (Coturnix coturnix)and Common quail (Coturnix japonica), found in China was studied using microsatellite DNA markers. According to a comparison of the corresponding genetic indices in the three quail populations, such as Polymorphism Information Content (PIC), Mean Heterozygosity ($\bar{H}$) and Fixation Index, wild Common quail possessed rich genetic diversity with 4.67 alleles per site. Its values for PIC and $\bar{H}$ were the highest, 0.5732 and 0.6621, respectively. Domestic quail had the lowest values, 0.5467 and 0.5933, respectively. Wild Japanese quail had little difference in genetic diversity from domestic quail. In addition, from analyses of the fuzzy cluster based on standard genetic distance, the similarity relationship matrix coefficient between wild Japanese quail and domestic quail was 0.937, and that between wild Common quail and domestic quail was 0.783. All of these results showed that the wild Japanese quail were closer to the domestic quail for phylogenetic relationship than wild Common quail. These results at the molecular level provide useful data about quail's genetic background and further supported the hypothesis that the domestic quail originated from the wild Japanese quail.

관군 배열에서의 종간 간격이 열전달에 미치는 영향에 대한 수치 해석적 연구 (NUMERICAL ANALYSIS FOR LONGITUDINAL PITCH EFFECT ON TUBE BANK HEAT TRANSFER)

  • 이동균;안준;신승원
    • 한국전산유체공학회지
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    • 제17권3호
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    • pp.39-44
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    • 2012
  • In this study, a longitudinal pitch effect on in-line tube bank heat transfer has been analyzed numerically. To verify the accuracy of the solver model and boundary conditions, global Nusselt number(Nu) and pressure drop across the 2 row tube bank are compared with the existing experimental correlations under 500 ~ 2,000 Reynolds number(Re) range. By changing transverse pitch($S_T$) or longitudinal pitch($S_L$) separately in tube bank, we're trying to identify the each effect on heat transfer. We found that the effect of transverse pitch can be accounted for Reynolds number evaluated with maximum velocity($V_{max}$) at the smallest flow area similar to most existing correlations. Variation of the longitudinal pitch($S_L$) has a greater impact on the heat transfer compared to the transverse pitch($S_T$). Overall Nusselt number increases with larger longitudinal pitch($S_L$), however individual Nusselt number of the tube row has significant difference after the first row.

히트펌프를 이용한 농산물 건조 및 저온저장 시스템 (I) - 건조 성능 - (Drying and Low Temperature Storage System for Agricultural Products Using the Air to Air Heat Pump (I) - Drying Performance -)

  • 강연구;한충수;금동혁
    • Journal of Biosystems Engineering
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    • 제32권1호
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    • pp.20-29
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    • 2007
  • Korean farmers have purchased agricultural dryer and low temperature storage system apart. In this study, the system was designed and constructed to investigate the practical application possibility of the air to air heat pump as drying and low temperature storage system for agricultural products with providing basic data. The performance and drying characteristics of the system evaluated by drying red pepper. The value of coefficient of performance of the system for heating was from 1.8 to 2.2 when ambient air temperature varied from 13$^{\circ}C$ to 23$^{\circ}C$. For operating the heat pump as dryer for drying red pepper by setting three drying air temperature of 50, 55 and 60$^{\circ}C$, specific moisture extraction rates meaning amount of energy consumption for removing moisture of 1kg from red pepper were 1.095, 1.017 and 1.094 kg$_{water}$/kWh, respectively. The drying period up to moisture ratio of 0.02 were 31, 26 and 21 hour, respectively. The lightness, redness, yellowness and chroma differences of red pepper dried by the heat pump dryer were lowered than those of red pepper dried by conventional heated air dryer except for yellowness difference at drying air temperature of 60$^{\circ}C$.

퍼지 추론을 이용한 REM의 자동 검출 : 기면증과 정상수면의 REM 분포 연구 (Automatic Detection of Rapid Eye Movement Distribution in Narcoleptic and Normal Sleep Using Fuzzy Logic)

  • 박해정;한주만;최미혜;정도언;박광석
    • 대한의용생체공학회:학술대회논문집
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    • 대한의용생체공학회 1998년도 추계학술대회
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    • pp.201-202
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    • 1998
  • In this paper we suggested an automated method for detecting and counting rapid eye movement(REM) using EOG during sleep. This method is formulated by two step fuzzy logic. At first step, the velocity and the distance of single channel eye movement are used for the fuzzy input to get the possibility of being REM at each EOG. At second step, the two possibility values of both EOG from the first step and the correlation coefficient of both eye movements are used for the fuzzy logic input, and the output is the final possibility of being Rapid Eye Movement. We applied this algorithm to the normal and narcoleptic sleep data and compared the difference. We found the possibility that the count of REM can be a parameter that has significant physiological meanings.

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35톤급 FRP선박 외판재의 충격파괴거동에 관한 연구 (A Study on the Impact Fracture Behavior of Side Plate of 35 Ton Class FRP Ship)

  • 김형진;이진정;고성위;김재동
    • 동력기계공학회지
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    • 제9권4호
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    • pp.137-142
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    • 2005
  • The effects of temperature and initial crack length on impact fracture behavior of side plate material of 35 ton class FRP ship, which are composed by glass fiber and unsaturated polyester resin, were investigated. Impact fracture toughness of GF/PE composites displayed maximum value when the temperature of specimen is room temperature and $50^{\circ}C$, and with decrease in temperature of specimen, impact fracture toughness decreased. Impact fracture energy of GF/EP composites decreased with increase in initial crack length of specimen, and this value decreased rapidly when the temperature of specimen is lowest, $-25^{\circ}C$,. It is believed that sensitivity of notch on impact fracture energy were increased with decrease in temperature of specimen. As the GF/EP composites exposed in low temperature, impact fracture toughness of composites decreased gradually owing to the decrease of interface bonding strength caused by difference of thermal expansion coefficient between the glass fiber/polyester resin. Further, decrease of interface bonding strength of composites with decrease in specimen temperature was ascertained by SEM photograph of impact fracture surface.

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어류 차단 스크린 설치에 따른 안동-임하호 연결터널 내 흐름변화에 대한 전산유체동역학 수치모의 (Computational Fluid Dynamics Simulation of Flow Pattern Change in the Andong-Imha Reservoir Connecting Tunnel Due to Fish Exclusion Screens)

  • 안상도
    • 한국물환경학회지
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    • 제30권5호
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    • pp.477-485
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    • 2014
  • Imha Reservoir is connected to Andong Reservoir via a diversion tunnel allowing water to pass between. The diversion tunnel is equipped with screens to exclude exotic largemouth bass due to their predatory impacts on prey assemblages resulting in a degradation of species richness of local fish fauna and extinction of local fish populations in Korea. Flow pattern changes resulting from the fish screens and trash racks were investigated using a computational fluid dynamics (CFD) model. Numerical simulations showed that the decrease in the discharge capacity of the tunnel is approximately 8.6% and the headloss coefficient for fish screen at Andong intake tower was determined to be 1.5. In order not to allow the small fishes enough to pass through the wire openings enter into Imha Reservoir through tunnel, the velocity in the tunnel should be greater than 1.48 m/s which is a critical ascending velocity of the bass. This study suggests that it can keep the velocity higher enough to exclude largemouth bass when a gate opens with the condition of 1.0m difference in water stage between two reservoirs.

정전압에 따른 클린룸 벽체에서의 입자침착 특성 (Characteristics of Particle Deposition onto the Cleanroom Wall Panel with Electrostatic Voltages)

  • 노광철;손영태;김종준;오명도
    • 설비공학논문집
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    • 제18권12호
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    • pp.1033-1038
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    • 2006
  • We carried out the experiments on particle deposition onto the cleanroom wall panels. And then we investigated the particle deposition characteristic coefficients for electrostatic voltages and particle size. It was found that there is little difference in characteristics of the particle deposition between the steel panel and the anti-static coating panel. In case of that the particle size is under $1.0{\mu}m$, the particle deposition characteristic coefficient becomes larger as the electrostatic voltage induced to the cleanroom wall panel is increasing. Where in case of that the particle size is over $3.0{\mu}m$, the particle deposition characteristic coefficients do not show any differences with the electrostatic voltages. It is due to that the electrostatic force is the major particle transport mechanism for submicron particles, while the gravitational settling is the major particle transport mechanism for overmicron particles when the electro-static voltages are induced to the cleanroom wall panel.

제 2형 당뇨환자의 우울증상군과 비우울증상군 간의 당화혈색소, 자가 관리, 삶의 질 간의 비교연구 (Comparative Study on HbA1C, Self-care Behavior, and Quality of Life by Depression Status in Type II Diabetic Patients)

  • 정영민;김미영
    • 기본간호학회지
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    • 제19권3호
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    • pp.353-362
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    • 2012
  • Purpose: The objective of this study was to examine the correlation between HbA1C, self-care behavior, and quality of life among depressed and non-depressed patients with type II diabetes Methods: Data were collected between May 26 and July 5, 2011 using a questionnaire. The questionnaire included depression (CES-D), self-care behavior and quality of life. Hemoglobin A1C was ed from medical records. Data were analyzed by descriptive statistics, t-test, $x^2$-test, ANCOVA and Pearson's correlation coefficient. Results: In this study sample (n=301), 20.9% of diabetic patients (n=69) were depressed. After adjustment for relevant covariates, depressed patients showed to have lower self-care behavior (2.8 vs 3.4, p<.001) and quality of life (2.8 vs 3.5, p<.001) scores, but the difference in HbA1C was no longer significant. Conclusion: This study suggests that the assessment and intervention for depressed diabetic patients can result in effective self-care behavior, which accordingly leads to improvement of the quality of life.