• Title/Summary/Keyword: Structural Synthesis

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Computational Chemistry as a Key to Structural Bioinformatics

  • Kang, Young-Kee
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2000.11a
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    • pp.32-34
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    • 2000
  • Computational chemistry is a discipline using computational methods for the calculation of molecular structure, properties, and reaction or for the simulation of molecular behavior. Relating and turning the complexity of data from genomics, high-throughput screening, combinatorial chemical synthesis, gene-expression investigations, pharmacogenomics, and proteomics into useful information and knowledge is the primary goal of bioinformatics. In particular, the structure-based molecular design is one of essential fields in bioinformatics and it can be called as structural bioinformatics. Therefore, the conformational analysis for proteins and peptides using the techniques of computational chemistry is expected to play a role in structural bioinformatics. There are two major computational methods for conformational analysis of proteins and peptides; one is the molecular orbital (MO) method and the other is the force field (or empirical potential function) method. The MO method can be classified into ab initio and semiempirical methods, which have been applied to relatively small and large molecules, respectively. However, the improvement in computer hardwares and softwares enables us to use the ab initio MO method for relatively larger biomolecules with up to v100 atoms or ∼800 basis functions. In order to show how computational chemistry can be used in structural bioinformatics, 1 will present on (1) cis-trans isomerization of proline dipeptide and its derivatives, (2) positional preference of proline in ${\alpha}$-helices, and (3) conformations and activities of Arg-Gly-Asp-containing tetrapeptides.

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Autonomous vision-based damage chronology for spatiotemporal condition assessment of civil infrastructure using unmanned aerial vehicle

  • Mondal, Tarutal Ghosh;Jahanshahi, Mohammad R.
    • Smart Structures and Systems
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    • v.25 no.6
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    • pp.733-749
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    • 2020
  • This study presents a computer vision-based approach for representing time evolution of structural damages leveraging a database of inspection images. Spatially incoherent but temporally sorted archival images captured by robotic cameras are exploited to represent the damage evolution over a long period of time. An access to a sequence of time-stamped inspection data recording the damage growth dynamics is premised to this end. Identification of a structural defect in the most recent inspection data set triggers an exhaustive search into the images collected during the previous inspections looking for correspondences based on spatial proximity. This is followed by a view synthesis from multiple candidate images resulting in a single reconstruction for each inspection round. Cracks on concrete surface are used as a case study to demonstrate the feasibility of this approach. Once the chronology is established, the damage severity is quantified at various levels of time scale documenting its progression through time. The proposed scheme enables the prediction of damage severity at a future point in time providing a scope for preemptive measures against imminent structural failure. On the whole, it is believed that the present study will immensely benefit the structural inspectors by introducing the time dimension into the autonomous condition assessment pipeline.

A novel hybrid control of M-TMD energy configuration for composite buildings

  • ZY Chen;Yahui Meng;Ruei-Yuan Wang;T. Chen
    • Steel and Composite Structures
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    • v.48 no.4
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    • pp.475-483
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    • 2023
  • In this paper, a new energy-efficient semi-active hybrid bulk damper is developed that is cost-effective for use in structural applications. In this work, the possibility of active and semi-active component configurations combined with suitable control algorithms, especially vibration control methods, is explored. The equations of motion for a container bridge equipped with an MDOF Mass Tuned Damper (M-TMD) system are established, and the combination of excitation, adhesion, and control effects are performed by a proprietary package and commercial custom submodel software. Systematic methods for the synthesis of structural components and active systems have been used in many applications because of the main interest in designing efficient devices and high-performance structural systems. A rational strategy can be established by properly controlling the master injection frequency parameter. Simulation results show that the multiscale model approach is achieved and meets accuracy with high computational efficiency. The M-TMD system can significantly improve the overall response of constrained structures by modestly reducing the critical stress amplitude of the frame. This design can be believed to build affordable, safe, environmentally friendly, resilient, sustainable infrastructure and transportation.

Robust Analysis of a μ-Controller for a Cable-Stayed Bridge with Various Uncertainties (사장교에서 다양한 불확실성에 대한 μ-제어기의 강인성 해석)

  • Park, Kyu Sik;Spencer, B.F.Jr.;Kim, Chun Ho;Lee, In Won
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.26 no.5A
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    • pp.849-859
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    • 2006
  • This paper presents an extensive robust analysis of a ${\mu}$-controller in the hybrid system for various uncertainties using the benchmark cable-stayed bridge. The overall system robustness may be deteriorated by introducing active devices and the active controller may cause instability due to small margins. Therefore, a ${\mu}$-synthesis method that simultaneously guarantees the performance and stability of the closed-loop system (robust performance) with uncertainties is used for active devices to enhance the robustness in company with the inherent reliability of passive devices. The robustness of the ${\mu}$-synthesis method is investigated with respect to the additional mass on the deck, structural stiffness matrix perturbation, time delay of actuator, and combinations thereof. Numerical simulation results show that the proposed control system has the good robustness without loss of control performances with respect to various uncertainties under earthquakes considered in this study. Furthermore, the control system robustness is more affected by the perturbation of structural stiffness matrix than others considered in this study. Therefore, the hybrid system controlled by a ${\mu}$-synthesis method could be proposed as an improved control strategy for a seismically excited cable-stayed bridge containing many uncertainties.

Thermal Vacuum Test and Thermal Analysis for a Qualification Model of Cube-satellite STEP Cube Lab. (큐브위성 STEP Cube Lab.의 임무 탑재체 인증모델의 열진공시험 및 열모델 보정을 통한 궤도 열해석)

  • Kang, Soo-Jin;Ha, Heon-Woo;Han, Sung-Hyun;Seo, Joung-Ki;Oh, Hyun-Ung
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.44 no.2
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    • pp.156-164
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    • 2016
  • Qualification model(QM) of main payloads including concentrating photovoltaic system using fresnel lens, heating wire cutting type shockless holding and release mechanism, and MEMS-based solid propellant thruster have been developed for the STEP Cube Lab.(Cube Laboratory for Space Technology Experimental Project), which is a pico-class satellite for verification of core space technologies. In this study, we have verified structural safety and functionality of the developed payloads under a qualification temperature range through the QM thermal vacuum test. Additionally, a reliability of thermal model of the payloads has been confirmed by performing a thermal correlation based on the thermal balance test results.

μ-Synthesis Controller Design and Experimental Verification for a Seismic-excited MDOF Building (지진을 받는 다자유도 건물의 μ합성 제어기 설계 및 검증실험)

  • 민경원;주석준;이영철
    • Journal of the Earthquake Engineering Society of Korea
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    • v.6 no.6
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    • pp.41-48
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    • 2002
  • This study is on the structural control experiment for a small scale three-story building structure employing on active mass damper subjected to earthquake loading. $\mu$-synthesis controllers, which belong to robust control strategies, were designed and their performance were experimentally verified. Frequency-dependent weighting functions corresponding to disturbance input and controlled output were defined and combined to produce optimal $\mu$-synthesis controllers. The experiment result shows 60-70% reduction in RMS responses under the band-limited white noise excitation and 30-45% reduction in peak responses under the scaled earthquake excitations. Good agreement was obtained between the simulations based on the identified mathematical model and experimental results. And the simulations for the system with uncertainties show that the designed controllers are robust within a specified range of uncertainties.

Exploration of growth mechanism for layer controllable graphene on copper

  • Song, Woo-Seok;Kim, Yoo-Seok;Kim, Soo-Youn;Kim, Sung-Hwan;Jung, Dae-Sung;Jun, Woo-Sung;Jeon, Cheol-Ho;Park, Chong-Yun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.490-490
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    • 2011
  • Graphene, hexagonal network of carbon atoms forming a one-atom thick planar sheet, has been emerged as a fascinating material for future nanoelectronics. Huge attention has been captured by its extraordinary electronic properties, such as bipolar conductance, half integer quantum Hall effect at room temperature, ballistic transport over ${\sim}0.4{\mu}m$ length and extremely high carrier mobility at room temperature. Several approaches have been developed to produce graphene, such as micromechanical cleavage of highly ordered pyrolytic graphite using adhesive tape, chemical reduction of exfoliated graphite oxide, epitaxial growth of graphene on SiC and single crystalline metal substrate, and chemical vapor deposition (CVD) synthesis. In particular, direct synthesis of graphene using metal catalytic substrate in CVD process provides a new way to large-scale production of graphene film for realization of graphene-based electronics. In this method, metal catalytic substrates including Ni and Cu have been used for CVD synthesis of graphene. There are two proposed mechanism of graphene synthesis: carbon diffusion and precipitation for graphene synthesized on Ni, and surface adsorption for graphene synthesized on Cu, namely, self-limiting growth mechanism, which can be divided by difference of carbon solubility of the metals. Here we present that large area, uniform, and layer controllable graphene synthesized on Cu catalytic substrate is achieved by acetylene-assisted CVD. The number of graphene layer can be simply controlled by adjusting acetylene injection time, verified by Raman spectroscopy. Structural features and full details of mechanism for the growth of layer controllable graphene on Cu were systematically explored by transmission electron microscopy, atomic force microscopy, and secondary ion mass spectroscopy.

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Low-temperature synthesis of graphene on nickel foil by microwave plasma chemical vapor deposition

  • Kim, Y.;Song, W.;Lee, S.Y.;Jung, W.;Kim, M.K.;Jeon, C.;Park, C.Y.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.80-80
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    • 2010
  • Graphene has attracted tremendous attention for the last a few years due to it fascinating electrical, mechanical, and chemical properties. Up to now, several methods have been developed exclusively to prepare graphene, which include micromechanical cleavage, polycrystalline Ni employing chemical vapor deposition technique, solvent thermal reaction, thermal desorption of Si from SiC substrates, chemical routes via graphite intercalation compounds or graphite oxide. In particular, polycrystalline Ni foil and conventional chemical vapor deposition system have been widely used for synthesis of large-area graphene. [1-3] In this study, synthesis of mono-layer graphene on a Ni foil, the mixing ratio of hydrocarbon ($CH_4$) gas to hydrogen gas, microwave power, and growth time were systemically optimized. It is possible to synthesize a graphene at relatively lower temperature ($500^{\circ}C$) than those (${\sim}1000^{\circ}C$) of previous results. Also, we could control the number of graphene according to the growth conditions. The structural features such as surface morphology, crystallinity and number of layer were investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM), transmission electron microscopy (TEM) and resonant Raman spectroscopy with 514 nm excitation wavelength. We believe that our approach for the synthesis of mono-layer graphene may be potentially useful for the development of many electronic devices.

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Effect of method of synthesis on antifungal ability of ZnO nanoparticles: Chemical route vs green route

  • Patino-Portela, Melissa C.;Arciniegas-Grijalba, Paola A.;Mosquera-Sanchez, Lyda P.;Sierra, Beatriz E. Guerra;Munoz-Florez, Jaime E.;Erazo-Castillo, Luis A.;Rodriguez-Paez, Jorge E.
    • Advances in nano research
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    • v.10 no.2
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    • pp.191-210
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    • 2021
  • To compare the antifungal effect of two nanomaterials (NMs), nanoparticles of zinc oxide were synthesized by a chemical route and zinc oxide-based nanobiohybrids were obtained using green synthesis in an extract of garlic (Allium sativum). The techniques of X-Ray Diffraction (XRD), Infrared (IR) and Ultraviolet Visible (UV-Vis) absorption spectroscopies and Scanning (SEM) and Transmission Electron Microscopies (TEM) were used to determine the characteristics of the nanomaterials synthesized. The results showed that the samples obtained were of nanometric size (< 100 nm). To compare their antifungal capacity, their effect on Cercospora sp. was evaluated. Test results showed that both nanomaterials had an antifungal capacity. The nanobiohybrids (green route) gave an inhibition of fungal growth of ~72.4% while with the ZnO-NPs (chemical route), inhibition was ~87.1%. Microstructural studies using High Resolution Optical Microscopy (HROM) and ultra-structural analysis using TEM carried out on the treated strains demonstrated the effect of the nanofungicides on the vegetative and reproductive structures, as well as on their cell wall. To account for the antifungal effect presented by ZnO-NPs and ZnO nanobiohybrids on the fungi tested, effects reported in the literature related to the action of nanomaterials on biological entities were considered. Specifically, we discuss the electrical interaction of the ZnO-NPs with the cell membrane and the biomolecules (proteins) present in the fungi, taking into account the n-type nature of the ZnO semiconductor and the electrical behavior of the fungal cell membrane and that of the proteins that make up the protein crown.

Carbon Source Affects Synthesis, Structures, and Activities of Mycelial Polysaccharides from Medicinal Fungus Inonotus obliquus

  • He, Huihui;Li, Yingying;Fang, Mingyue;Li, Tiantian;Liang, Yunxiang;Mei, Yuxia
    • Journal of Microbiology and Biotechnology
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    • v.31 no.6
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    • pp.855-866
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    • 2021
  • The effects of various carbon sources on mycelial growth and polysaccharide synthesis of the medicinal fungus Inonotus obliquus in liquid fermentation were investigated. After 12-d fermentation, mycelial biomass, polysaccharide yield, and polysaccharide content were significantly higher in Glc+Lac group (glucose and lactose used as combined carbon source) than in other groups. Crude polysaccharides (CIOPs) and the derivative neutral polysaccharides (NIOPs) were obtained from mycelia fermented using Glc, fructose (Fru), Lac, or Glc+Lac as carbon source. Molecular weights of four NIOPs (termed as NIOPG, NIOPF, NIOPL, and NIOPGL) were respectively 780.90, 1105.00, 25.32, and 10.28 kDa. Monosaccharide composition analyses revealed that NIOPs were composed of Glc, Man, and Gal at different molar ratios. The NIOPs were classified as α-type heteropolysaccharides with 1→2, 1→3, 1→4, 1→6 linkages in differing proportions. In in vitro cell proliferation assays, viability of RAW264.7 macrophages was more strongly enhanced by NIOPL or NIOPGL than by NIOPG or NIOPF, and proliferation of HeLa or S180 tumor cells was more strongly inhibited by NIOPG or NIOPGL than by NIOPF or NIOPL, indicating that immune-enhancing and anti-tumor activities of NIOPs were substantially affected by carbon source. qRT-PCR analysis revealed that expression levels of phosphoglucose isomerase (PGI) and UDP-Glc 4-epimerase (UGE), two key genes involved in polysaccharide synthesis, varied depending on carbon source. Our findings, taken together, clearly demonstrate that carbon source plays an essential role in determining structure and activities of I. obliquus polysaccharides by regulating expression of key genes in polysaccharide biosynthetic pathway.