• Title/Summary/Keyword: Novel engineering

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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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    • v.35 no.7
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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.

Structural performance of novel SCARC column under axial and eccentric loads

  • Zhou, Chunheng;Chen, Zongping;Li, Junhua;Cai, Liping;Huang, Zhenhua
    • Steel and Composite Structures
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    • v.37 no.5
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    • pp.503-516
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    • 2020
  • A novel spiral confined angle-steel reinforced concrete (SCARC) column was developed in this study. A total of 16 specimens were prepared and tested (eight of them were tested under axial loading, the other eight were tested under eccentric loading). The failure processes and load-displacement relationships of specimens under axial and eccentric loads were examined, respectively. The load-carrying capacity and ductility were evaluated by parametric analysis. A calculation approach was developed to predict the axial and eccentric load-carrying capacity of these novel columns. Results showed that the spiral reinforcement provided enough confinement in SCARC columns under axial and low eccentric loads, but was not effective in that under high eccentric loads. The axial load-carrying capacity and ductility of SCARC columns were improved significantly due to the satisfactory confinement from spirals. The outer reinforcement and other construction measures were necessary for SCARC columns to prevent premature spalling of the concrete cover. The proposed calculation approach provided a reliable prediction of the load-carrying capacity of SCARC columns.

Design and behaviour of double skin composite beams with novel enhanced C-channels

  • Yan, Jia-Bao;Guan, Huining;Wang, Tao
    • Steel and Composite Structures
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    • v.37 no.5
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    • pp.517-532
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    • 2020
  • This paper firstly developed a new type of Double Skin Composite (DSC) beams using novel enhanced C-channels (ECs). The shear behaviour of novel ECs was firstly studied through two push-out tests. Eleven full-scale DSC beams with ECs (DSCB-ECs) were tested under four-point loading to study their ultimate strength behaviours, and the studied parameters were thickness of steel faceplate, spacing of ECs, shear span, and strength of concrete core. Test results showed that all the DSCB-ECs failed in flexure-governed mode, which confirmed the effective bonding of ECs. The working mechanisms of DSCB-ECs with different parameters were reported, analysed and discussed. The load-deflection (or strain) behaviour of DSCB-ECs were also detailed reported. The effects of studied parameters on ultimate strength behaviour of DSCB-ECs have been discussed and analysed. Including the experimental studies, this paper also developed theoretical models to predict the initial stiffness, elastic stiffness, cracking, yielding, and ultimate loads of DSCB-ECs. Validations of predictions against 11 test results proved the reasonable estimations of the developed theoretical models on those stiffness and strength indexes. Finally, conclusions were given based on these tests and analysis.

Novel pin jointed moment connection for cold-formed steel trusses

  • Mathison, Chris;Roy, Krishanu;Clifton, G. Charles;Ahmadi, Amin;Masood, Rehan;Lim, James B.P.
    • Steel and Composite Structures
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    • v.31 no.5
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    • pp.453-467
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    • 2019
  • Portal frame structures, made up of cold-formed steel trusses, are increasingly being used for lightweight building construction. A novel pin-jointed moment connector, called the Howick Rivet Connector (HRC), was developed and tested previously in T-joints and truss assemblage to determine its reliable strength, stiffness and moment resisting capacity. This paper presents an experimental study on the HRC, in moment resisting cold-formed steel trusses. The connection method is devised where intersecting truss members are confined by a gusset connected by HRCs to create a rigid moment connection. In total, three large scale experiments were conducted to determine the elastic capacity and cyclic behaviour of the gusseted truss moment connection comprising HRC connectors. Theoretical failure loads were also calculated and compared against the experimental failure loads. Results show that the HRCs work effectively at carrying high shear loads between the members of the truss, enabling rigid behaviour to be developed and giving elastic behaviour without tilting up to a defined yield point. An extended gusset connection has been proposed to maximize the moment carrying capacity in a truss knee connection using the HRCs, in which they are aligned around the perimeter of the gusset to maximize the moment capacity and to increase the stability of the truss knee joint.

Screening of novel alkaloid inhibitors for vascular endothelial growth factor in cancer cells: an integrated computational approach

  • Shahik, Shah Md.;Salauddin, Asma;Hossain, Md. Shakhawat;Noyon, Sajjad Hossain;Moin, Abu Tayab;Mizan, Shagufta;Raza, Md. Thosif
    • Genomics & Informatics
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    • v.19 no.1
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    • pp.6.1-6.10
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    • 2021
  • Vascular endothelial growth factor (VEGF) is expressed at elevated levels by most cancer cells, which can stimulate vascular endothelial cell growth, survival, proliferation as well as trigger angiogenesis modulated by VEGF and VEGFR (a tyrosine kinase receptor) signaling. The angiogenic effects of the VEGF family are thought to be primarily mediated through the interaction of VEGF with VEGFR-2. Targeting this signaling molecule and its receptor is a novel approach for blocking angiogenesis. In recent years virtual high throughput screening has emerged as a widely accepted powerful technique in the identification of novel and diverse leads. The high resolution X-ray structure of VEGF has paved the way to introduce new small molecular inhibitors by structure-based virtual screening. In this study using different alkaloid molecules as potential novel inhibitors of VEGF, we proposed three alkaloid candidates for inhibiting VEGF and VEGFR mediated angiogenesis. As these three alkaloid compounds exhibited high scoring functions, which also highlights their high binding ability, it is evident that these alkaloids can be taken to further drug development pipelines for use as novel lead compounds to design new and effective drugs against cancer.

A Novel Approach for Key Caption Detection in Golf Videos Using Color Patterns

  • Jung, Cheol-Kon;Kim, Joong-Kyu
    • ETRI Journal
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    • v.30 no.5
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    • pp.750-752
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    • 2008
  • This paper provides a novel method of detecting key captions containing player information in golf videos. We use the color pattern of captions and its repetition property to determine the key captions. The experimental results show that the proposed method achieves a much higher accuracy than existing methods.

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Robust fault detection and diagnosis in boiler systems

  • Kim, Yu-Soong;Kwon, Oh-Kyu;Hong, Il-Sun
    • 제어로봇시스템학회:학술대회논문집
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    • 1994.10a
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    • pp.537-542
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    • 1994
  • This paper gives a general survey of model-based fault detection and dignosis methods. Specific applications of these ideas to boiler systems will also be discussed. A novel aspect of the fault detection technique described here is that it explicitly accounts for the effects of using simplified models and errors from linearizing a nonlinear system at an operation point. Inclusion of these effects is shown to lead to novel fault detection procedures which outperform existing methods when applied to typical fault scenarios in boiler systems.

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THE NOVEL SILICON MEMS PACKAGE FOR MMICs (초고주파 집적 회로를 위한 새로운 실리콘 MEMS 패키지)

  • 권영수;이해영;박재영;부종욱
    • Proceedings of the Korea Electromagnetic Engineering Society Conference
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    • 2000.11a
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    • pp.104-108
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    • 2000
  • In this paper, we characterized a novel MEMS package using high resistivity silicon for microwave and millimeter-wave devices. The manufactured MEMS package shows -20dB of S$\sub$11/ and -0.4dB of S$\sub$21/ up to 200GHz. The new package can be a low cost and high performance solution due to process compatibility with on-chip devices and very small and precise dimensions by semiconduotor technology.

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Design of a Novel low Pass Filler will Low Spurious Response for Satellite Transponder (위성중계기를 위한 낮은 불요 특성을 갖는 새로운 형태의 저역통과 필터 설계)

  • 이문규;류근관;염인복;이성팔
    • Proceedings of the Korea Electromagnetic Engineering Society Conference
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    • 2001.11a
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    • pp.172-175
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    • 2001
  • A novel microstrip type low-pass filter using thin or thick film resistors is proposed to efficiently eliminate harmonic spurious response in stop-band. The proposed low-pass filter shows the spurious suppression enhancement of 20 dB over a conventional one. The designed low-pass filter could be used as a harmonic rejection filter of a local oscillator for Ku-band satellite payload system.

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