• Title/Summary/Keyword: Model compound

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HQSAR Study on Substituted 1H-Pyrazolo[3,4-b]pyridines Derivatives as FGFR Kinase Antagonists

  • Bhujbal, Swapnil P.;Balasubramanian, Pavithra K.;Keretsu, Seketoulie;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.10 no.2
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    • pp.85-94
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    • 2017
  • Fibroblast growth factor receptor (FGFR) belongs to the family of receptor tyrosine kinase. They play important roles in cell proliferation, differentiation, development, migration, survival, wound healing, haematopoiesis and tumorigenesis. FGFRs are reported to cause several types of cancers in humans which make it an important drug target. In the current study, HQSAR analysis was performed on a series of recently reported 1H-Pyrazolo [3,4-b]pyridine derivatives as FGFR antagonists. The model was developed with Atom (A) and bond (B) connection (C), chirality (Ch), hydrogen (H) and donor/acceptor (DA) parameters and with different set of atom counts to improve the model. A reasonable HQSAR model ($q^2=0.701$, SDEP=0.654, NOC=5, $r^2=0.926$, SEE=0.325, BHL=71) was generated which showed good predictive ability. The contribution map depicted the atom contribution in inhibitory effect. A contribution map for the most active compound (compound 24) indicated that hydrogen and nitrogen atoms in the side chains of ring B as well as hydrogen atoms in the side chain of ring C and the nitrogen atom in the ring D contributed positively to the activity in inhibitory effect whereas, the lowest active compound (compound 04) showed negative contribution to inhibitory effect. Thus results of our study can provide insights in the designing potent and selective FGFR kinase inhibitors.

A Earth-Volume Estimate Model by System Dynamics (시스템 다이내믹스를 활용한 토공량 산정 모형 구축)

  • Hwang, Young-Jo;Won, Seo-Kyung;Han, Choong-Hee;Kim, Sun-Kuk
    • Proceedings of the Korean Institute Of Construction Engineering and Management
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    • 2006.11a
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    • pp.467-470
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    • 2006
  • The earth volume which is the basis of all the construction has gone through great development so far with the use of construction machine; however, systematic studies on the related area is in need since the appropriate compound engineering method of earth volume equipments which is a key factor for shortening the project duration and cost reduction is not systematically established and it is dependent on experience. Reasonable mechanical earth volume should take into consideration of performance and characteristics of the equipment, the kind of project, scale and conditions in advance. Also, the optimum compound engineering should be planned by selecting several available scales of equipment. In this study, the earth volume estimate model is established for optimum compound engineering of earth volume equipment for mechanized earth volume equipment loading and moving stage among many stages of earth volume task using system dynamics technique. The optimum compound engineering model of the earth volume equipment produced as a result of this is expected to make reasonable decisions in the shortest time in selecting earth volume facility.

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Compound K ameliorates airway inflammation and mucus secretion through the regulation of PKC signaling in vitro and in vivo

  • Lee, Jae-Won;Kim, Mun-Ock;Song, Yu Na;Min, Jae-Hong;Kim, Seong-Man;Kang, Myung-Ji;Oh, Eun Sol;Lee, Ro Woon;Jung, Sunin;Ro, Hyunju;Lee, Jae Kyoung;Ryu, Hyung Won;Lee, Dae Young;Lee, Su Ui
    • Journal of Ginseng Research
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    • v.46 no.3
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    • pp.496-504
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    • 2022
  • Background: Cigarette smoke (CS) is considered a principal cause of chronic obstructive pulmonary disease (COPD) and is associated with mucus hypersecretion and airway inflammation. Ginsenoside compound K (CK), a product of ginsenoside metabolism, has various biological activities. Studies on the effects of CK for the treatment of COPD and mucus hypersecretion, including the underlying signaling mechanism, have not yet been conducted. Methods: To study the protective effects and molecular mechanism of CK, phorbol 12-myristate 13-acetate (PMA)-induced human airway epithelial (NCI-H292) cells were used as a cellular model of airway inflammation. An experimental mouse COPD model was also established via CS inhalation and intranasal administration of lipopolysaccharide. Mucin 5AC (MUC5AC), monocyte chemoattractant protein-1, tumor necrosis factor-α (TNF-α), and interleukin-6 secretion, as well as elastase activity and reactive oxygen species production, were determined through enzyme-linked immunosorbent assay. Inflammatory cell influx and mucus secretion in mouse lung tissues were estimated using hematoxylin and eosin and periodic acid-schiff staining, respectively. PKCδ and its downstream signaling molecules were analyzed via western blotting. Results: CK prevented the secretion of MUC5AC and TNF-α in PMA-stimulated NCI-H292 cells and exhibited a protective effect in COPD mice via the suppression of inflammatory mediators and mucus secretion. These effects were accompanied by an inactivation of PKCδ and related signaling in vitro and in vivo. Conclusion: CK suppressed pulmonary inflammation and mucus secretion in COPD mouse model through PKC regulation, highlighting the compound's potential as a useful adjuvant in the prevention and treatment of COPD.

Analysis of the potential landslide hazard after wildfire considering compound disaster effect (복합재해 영향을 고려한 산불 후 산사태 잠재적 피해 위험도 분석)

  • Lee, Jong-Ook;Lee, Dong-Kun;Song, Young-Il
    • Journal of the Korean Society of Environmental Restoration Technology
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    • v.22 no.1
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    • pp.33-45
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    • 2019
  • Compound disaster is the type that increases the impact affected by two or more hazard events, and attention to compound disaster and multi-hazards risk is growing due to potential damages which are difficult to predict. The objective of this study is to analyze the possible impacts of post-fire landslide scenario quantitatively by using TRIGRS (Transient Rainfall Infiltration and Grid-Based Regional Slope-Stability Analysis), a physics-based landslide model. In the case of wildfire, soil organic material and density are altered, and saturated hydraulic conductivity decrease because of soil exposed to high temperature. We have included the change of soil saturated hydraulic conductivity into the TRIGRS model through literature review. For a case study, we selected the area of $8km^2$ in Pyeongchang County. The landslide modeling process was calibrated before simulate the post-wildfire impact based on landslide inventory data to reduce uncertainty. As a result, the mean of the total factor of safety values in the case of landslide was 2.641 when rainfall duration is 1 hour with rainfall intensity of 100mm per day, while the mean value for the case of post-wildfire landslide was lower to 2.579, showing potential landslide occurrence areas appear more quickly in the compound disaster scenario. This study can be used to prevent potential losses caused by the compound disaster such as post-wildfire debris flow or landslides.

Synthesis of Si alloys as the negative electrode material for lithium ion battery (고용량 리튬이온 전지용 음극 활물질로서 실리콘 합금 제조)

  • Lee, Heon-Young;Jang, Serk-Won;Lee, Sung-Man
    • Journal of Industrial Technology
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    • v.21 no.B
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    • pp.31-35
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    • 2001
  • The phase forming ability and formation enthalpies(${\Delta}H$) of Si-M(M = Ti, Cu, Ni, Zr) compound alloys were predicted by Miedema's model. The silicon compound alloys were synthesized by mechanical alloying and then characterized for the phase formation by X -ray diffraction. The electrochemical properties as the anode materials for lithium ion batteries were investigated using a galvanostatic method. It appears that the electrochemical characteristics of Si-M alloys can be predicted from the thermodynamic criteria for the phase formation using the Miedema's model.

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Flow Routing in Prismatic Symmetrical Compound Channels by Applications of the Apparent Shear Force (ASF)

  • Chun, Moo-Kap;Jee, Hong-Kee
    • Korean Journal of Hydrosciences
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    • v.8
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    • pp.41-56
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    • 1997
  • A new routing computer model for the symmetric compound channel called the ASRMCS(Apparent Shear Force Muskingum-Cunge Method in Symmetry) has been developed. The Muskingum-Cunge routing method is adapted. The Apparent Shear Force (ASF) between the deep main channel and the shallow floodplan flow is introduced while the flow is routed. The nonlinear parameter method is applied. The temporal and spatial increments are varied according to the flow rate. The adaptation of above schemes is tested against the routed hydrographs using the DAMBRK model. The results of general routing practice of Muskingum-Cunge Method(GPMC) are also compared with those of above two models. The results of the new model match remarkably well with those of DAMBRK. The routed hydrographs show a smooth variation from the inflow boundary condition without any distortions caused by the difference of cross-section shape. However, the results of GPMC, showing early rise and fall of routed hydrograph, have considerable differences from those of the ASFMCS and DAMBRK.

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Investigation of Al-hydroxide Precipitate Fouling on the Nanofiltration Membrane System with Coagulation Pretreatment: Effect of Inorganic Compound, Organic Compound, and Their Combination

  • Choi, Yang-Hun;Kweon, Ji-Hyang
    • Environmental Engineering Research
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    • v.16 no.3
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    • pp.149-157
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    • 2011
  • Nanofiltration (NF) experiments were conducted to investigate fouling of Al-hydroxide precipitate and the influence of organic compound, inorganic compound, and their combination, i.e., multiple foulants. $CaCl_2$ and $MgSO_4$ were employed as surrogates of inorganic compounds while humic acid was used as surrogate of organic compound. The flux attained from NF experiments was fitted with the mathematical fouling model to evaluate the potential fouling mechanisms. Al-hydroxide fouling with a cake formation mechanism had little effect on the NF membrane fouling regardless of the Al concentration. The NF fouling by Al-hydroxide precipitate was deteriorated in presence of inorganic matter. The effect of Mg was more critical in increasing the fouling than Ca. This is because the Mg ions enhanced the resistances of the cake layer accumulated by the Al-hydroxide precipitate on the membrane surfaces. However, the fouling with Mg was dramatically mitigated by adding humic acid. It is interesting to observe that the removal of the conductivity was enhanced to 61.2% in presence of Mg and humic acid from 30.9% with Al-hydroxide alone. The influence of dissolved matter (i.e., colloids) was more negative than particulate matter on the NF fouling for Al-hydroxide precipitate in presence of inorganic and organic matter.

The Effect of Phosphatidylcholine and Deoxycholate Compound Injections to the Localized Adipose Tissue: An Experimental Study with a Murine Model

  • Noh, Yongjoon;Heo, Chan-Yeong
    • Archives of Plastic Surgery
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    • v.39 no.5
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    • pp.452-456
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    • 2012
  • Background Phosphatidylcholine (PPC) and deoxycholate (DCA) compound has been recently used for the purpose of partial lipolysis and is valued for its efficacy and lower invasiveness compared to liposuction and dermolipectomy used previously. In this article, the authors discuss the efficacy of the PPC dissolved in DCA via an experimental rat study model, along with suggesting a useful animal experimental model for the study of adipose tissue and lipolysis. Methods Bilateral inguinal fat pads of an experimental rat were elevated with the deep inferior epigastric vessel as the sole vascular pedicle. Normal saline was injected on one side as a control group and a PPC and DCA compound was injected on the other side. After 4 days, the rats were euthanized for microscopic tissue examination. The pathology was scored by a sem-iquantitative system in 4 categories: normal fat amount, fat necrosis, inflammatory activity, and stage of fibrosis. A Wilcoxon signed-rank test powered by SPSS packet program was used for statistical analysis and to determine significance. Results Microscopic examination was performed on the obtained samples, and the experimental data of all four categories showed significant histologic differences compared to the control group. All of the data also showed statistical significance by the Wilcoxon signed-rank test (P<0.01). Conclusions In the inguinal fat pad rat model, the control group and the experimental group had a differed significantly in the amount of normal fat tissue, inflammation, necrosis, and fibrosis. We recommend the rat inguinal fat pad model used in this study, as it is likely to be useful in related research.

Floodwave Propagation in Sinuous Channel with Compound Cross Sections (사행도를 가진 복합단면 하도에서의 홍수파특성)

  • Park, Jae-Hong;Han, Kun-Yeun;Cho, Hong-Je
    • Water for future
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    • v.27 no.4
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    • pp.95-104
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    • 1994
  • The sinuosity model has been developed to simulate to developed to simulate the floodwave in meandering channels by solving the extended Saint-Venant equation with the Preissmann scheme. The suggested model is compared with three conventional floodplain routing methods in terms of governing equations, mass conservation error and floodwave analysis. The sinuosity model produces the mass conservation error of 1.5-1.8%, however the separate channel model produces 9.1% and 27.4% for sinuosity of 1.5 and 2.0, respectively. The model has been used to simulate flow in an idealized meandering river with a floodplain. The attenuation ratio and the travel time ratio are found to increase as the floodplain roughness and width increase and as the sinuosity factor decreases. The model is expected to contribute the floodwave analysis in sinuous channel with compound corss sections.

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A Study on Visual Comfort for Light Control Method of Applied Daylighting (자연채광방식의 응용에 따른 시각적 쾌적성에 관한 연구)

  • Han, Sang-Pil;Han, Sang-Cheol
    • 한국태양에너지학회:학술대회논문집
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    • 2012.03a
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    • pp.140-145
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    • 2012
  • The purpose of this study is to understand the change of impression by comparing the uniformity lighting with the compound lighting. In previous study, we proposed a light controlling method to harmonize daylight from a window and artificial lights from a ceiling and obtained the results to support our method. We referred this method as the Adjusted Compound-Lighting Model (AC Model). The model claims that lighting in a room with a side-window are perceived as harmonious when the overall light distribution in the room is well approximated by a compound of lights from the window and the entire ceiling. The experiment is carried out with the scaled-models and mock-up spaces that were supposed to be an office space. One is lit by the uniform lighting and the other by the compound lighting in each experimental space. In order to present varying illuminance distributions, thetwo variables were used in this study. One was the ratio of thelight from the window and ceiling in the standard and evaluation box. The standard box was provided by the ratio of 20% to 40% from the window and 80% to 60% from the ceiling as two lighting ratio patterns [Wu20(=Cu80) and Wu40(=Cu60)]. And the evaluation box was provided by the light ratio of 0% to 40 from the window and 100% to 60% from the ceiling [Wcp0(=Ccp100), Wcp20(=Ccp80) and Wcp40(=Ccp60)]. The other variable was themean illuminance level in both boxes. Two level of mean illuminance (700lx and 300lx) were used in this experiment. Each lighting condition was established at equal horizontal mean illuminance level, held constant near 700lx or 300lx in both boxes. Both of them were similar in the shape of distribution when there were same ratios of lights from the window and the ceiling. Subjects were asked to evaluate the point of difference by semantic differential rating on their overall impression after comparing with two rooms. The results showed that the impressions of compound lighting were more positive score than that of uniformity lighting on the items of 'dim-bright', 'dislike-like', 'artificial-natural' and 'closed-open', and that there was no significant difference in impressions between two spaces on other items.

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