• Title/Summary/Keyword: Binding Energy

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A Study on the Design Technique for Energy Performance Indicators of Existing Office Buildings (기존 오피스건물 에너지성능지표에 따른 설계기법 연구)

  • Jung, Hyungtae;Lee, You Na;Kim, Insoo;Ahn, Jong-Wook
    • Journal of Energy Engineering
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    • v.27 no.3
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    • pp.28-35
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    • 2018
  • Guidelines and institutional support for buildings are being promoted around the world as measures for environmental pollution and energy conservation. In Korea, standards are prepared according to the energy saving design standards of new buildings as amended in 2013.09.01 and the zero energy building for new buildings mandatory process is being prepared from the recommendations. Nevertheless, the government's binding power on smaller buildings is insufficient. Energy savings were analyzed for the recently constructed office buildings (application of external insulation technique) and propose a dual envelope techniques were proposed for energy reduction.

The Application Method of DC Distribution in Microgrid (마이크로그리드의 직류 배전 적용 방안)

  • Lee, Soon-myung;Kim, Jeong-Uk
    • Journal of Energy Engineering
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    • v.25 no.1
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    • pp.92-99
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    • 2016
  • In this paper, After the Paris climate conference (COP21) in December 2015, 195 countries adopted the first-ever universal, legally binding global climate deal. As sustained increase of renewable energy and digital load, to implemented and operated Microgrid system's power distribution by DC power distribution. This reduce the loss of power conversion step occurring based on the AC power distribution system and eliminate the loss caused by the reactive power in power distribution system. For this reason, DC Microgrid will be extended to support evidence of National energy policies, Microgrid project status, DC distribution status, and to suggest process of DC power distribution in Microgrid construction project.

Enhanced Stability of Perovskite Solar Cells using Organosilane-treated Double Polymer Passivation Layers

  • Park, Dae Young;Byun, Hye Ryung;Kim, Hyojung;Kim, Bora;Jeong, Mun Seok
    • Journal of the Korean Physical Society
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    • v.73 no.11
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    • pp.1787-1793
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    • 2018
  • The power conversion efficiency of perovskite solar cells has reached 23.3%. Although significant developments have been made through intensive studies, the stability issue is still challenging. Passivation of perovskite solar cells with a transparent polymer provides better stability; however, there are a few disadvantages of organic polymer such as low thermal stability, weak adhesion and the lack of water retention ability. In this work, we prepared a dual Parylene-F/C layer with 3-methacryloxypropyltrimethoxysilane, A-174, to combine the advantages of organic and inorganic materials. As a result, A-174 treated dual Parylene-F/C layer demonstrated improved passivation effects compared to a single Parylene layer due to the strong binding of Parylene and the water retention ability by $SiO_2$ formed from A-174. This synergetic effects can be expanded to the combination of other organic materials and organosilane compounds.

Active Phytochemicals of Indian Spices Target Leading Proteins Involved in Breast Cancer: An in Silico Study

  • Ashok Kumar Krishnakumar;Jayanthi Malaiyandi;Pavatharani Muralidharan;Arvind Rehalia;Anami Ahuja;Vidhya Duraisamy;Usha Agrawal;Anjani Kumar Singh;Himanshu Narayan, Singh;Vishnu Swarup
    • Journal of the Korean Chemical Society
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    • v.68 no.3
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    • pp.151-159
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    • 2024
  • Indian spices are well known for their numerous health benefits, flavour, taste, and colour. Recent Advancements in chemical technology have led to better extraction and identification of bioactive molecules (phytochemicals) from spices. The therapeutic effects of spices against diabetes, cardiac problems, and various cancers has been well established. The present in silico study aims to investigate the binding affinity of 29 phytochemicals from 11 Indian spices with two prominent proteins, BCL3 and CXCL10 involved in invasiveness and bone metastasis of breast cancer. The three-dimensional structures of 29 phytochemicals were extracted from PubChem database. Protein Data Bank was used to retrieve the 3D structures of BCL3 and CXCL10 proteins. The drug-likeness and other properties of compounds were analysed by ADME and Lipinski rule of five (RO5). All computational simulations were carried out using Autodock 4.0 on Windows platform. The proteins were set to be rigid and compounds were kept free to rotate. In-silico study demonstrated a strong complex formation (positive binding constants and negative binding energy ΔG) between all phytochemicals and target proteins. However, piperine and sesamolin demonstrated high binding constants with BCL3 (50.681 × 103 mol-1, 137.76 × 103 mol-1) and CXCL10 (98.71 × 103 mol-1, 861.7 × 103 mol-1), respectively. The potential of these two phytochemicals as a drug candidate was highlighted by their binding energy of -6.5 kcal mol-1, -7.1 kcal mol-1 with BCL3 and -6.9 kcal mol-1, -8.2 kcal mol-1 with CXCL10, respectively coupled with their favourable drug likeliness and pharmacokinetics properties. These findings underscore the potential of piperine and sesamolin as drug candidates for inhibiting invasiveness and regulating breast cancer metastasis. However, further validation through in vitro and in vivo studies is necessary to confirm the in silico results and evaluate their clinical potential.

Isolation of Microcystin-LR and Its Potential Function of Ionophore

  • Kim, Gilhoon;Han, Seungwon;Won, Hoshik
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.2
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    • pp.67-73
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    • 2015
  • The microcystin is a cyclic heptapeptide from metabolites of cyanobacteria in the genera mycrocystis, anabaeba as a result of eutrophication. It has been known that microcystin-LR is a potent inhibitor of the catalytic subunits of protein phosphatase-1 (PP-1) as well as powerful tumor promoter. The active site of microcystin actually has two metal ions $Fe^{2+}/Zn^{2+}$ close to the nucleophilic portion of PP-1-microcystin complex. We report the isolation and purification of this microcystin-LR from cyanobacteria (blue-green algae) obtained from Daechung Dam in Chung-cheong Do, Korea. Microcystin-LR was extracted from solid-phase extraction (SPE) sample preparation using a CN cartridge. The cyanobacteria extract was purified to obtain microcystin-LR by HPLC method and identified by LC/MS. The detail structural studies that can elucidate the possible role of monovalent and divalent metal ions in PP-1-microcystin complexation were carried out by utilizing molecular dynamics. Conformational changes in metal binding for ligands were monitored by molecular dynamic computation and potential of mean force (PMF) using the method of the free energy perturbation. The microcystin-metal binding PMF simulation results exhibit that microcystin can have very stable binding free energy of -10.95 kcal/mol by adopting the $Mg^{2+}$ ion at broad geometrical distribution of $0.5{\sim}4.5{\AA}$, and show that the $K^+$ ion can form a stable metal complex rather than other monovalent alkali metal ions.

Clinical Evaluation of TBG Concentration Measured with Radioimmunoassay Kit (방사면역측정법에 의한 혈청 thyroxine결합글로부린 (TBG)의 임상적 의의)

  • Hong, Seong-Woon;Kang, Tae-Woong;Lee, Jhin-Oh
    • The Korean Journal of Nuclear Medicine
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    • v.16 no.1
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    • pp.23-30
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    • 1982
  • Serum thyroxine binding globulin (TBG) was measured with a radioimmunoassay (RIA) kit (GammaDab TBG). The TBG concentration in 23 adult normals was $23.7{\pm}1.9{\mu}g/ml(mean{\pm}SD)$. The serum TBG levels of $21.6{\pm}3.5{\mu}g/ml$) in hyperthyroidism, $24.7{\pm}4.9{\mu}g/ml$ in subacute thyroiditis, $20.7{\pm}7.0{\mu}g/ml$ in liver cirrhosis and $22.6{\pm}3.7{\mu}g/ml$ in sick patient were not significantly different from normals. The levels of $31.8{\pm}5.9{\mu}g/ml$ in hypothyroidism, $36.2{\pm}5.1{\mu}g/ml$ in pregnancy (p<0.01, p<0.001) and $29.3{\pm}6.1{\mu}g/ml$ in molar pregnancy (p<0.01) were significanty higher that in normals. In various cases without thyroid dieases (euthroid group), the TBG concentration correlated with the value for Amerlex $T_3$ (r=0.816) though there was curvilinear relationship. This relationship was altered in hyperthyroidism, subacute thyroiditis and molar pregnancy in which sera were overloaded with thyroxine $(T_4)$ so that concentration of unoccupied binding sites on TBG (free TBG concentration) were more decreased than expected from normal TBG concentrations. Hypothyroidism was also separated from the curvilinear relationship in euthyroid group indicating that free TBG concentrations were more increased relative to slightly increased TBG concentrations. Measurement of the TBG concentration was considered useful in the diagnosis of TBG defiency, in differentiating molar pregnancy from hyperthyroidism and for correct understanding the hormone binding in liver dieases and other nonthyroidal illness.

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Antiviral effect of fucoxanthin obtained from Sargassum siliquastrum (Fucales, Phaeophyceae) against severe acute respiratory syndrome coronavirus 2

  • Nalae Kang;Seong-Yeong Heo;Eun-A Kim;Seon-Heui Cha;Bomi Ryu;Soo-Jin Heo
    • ALGAE
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    • v.38 no.4
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    • pp.295-306
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    • 2023
  • Human coronavirus diseases, particularly severe acute respiratory syndrome coronavirus 2, still remain a persistent public health issue, and many recent studies are focusing on the quest for new leads against coronaviruses. To contribute to this growing pool of knowledge and explore the available marine natural products against coronaviruses, this study investigated the antiviral effects of fucoxanthin isolated from Sargassum siliquastrum-a brown alga found on Jeju Island, South Korea. The antiviral effects of fucoxanthin were confirmed in severe acute respiratory syndrome coronavirus 2-infected Vero cells, and its structural characteristics were verified in silico using molecular docking and molecular dynamic simulations and in vitro colorimetric method. Fucoxanthin inhibited the infection in a concentration-dependent manner, without showing cytotoxicity. Molecular docking simulations revealed that fucoxanthin binds to the angiotensinconverting enzyme 2-spike protein (binding energy -318.306 kcal mol-1) and main protease (binding energy -205.118 kcal mol-1). Moreover, molecular dynamic simulations showed that fucoxanthin remains docked to angiotensin-converting enzyme 2-spike protein for 20 ns, whereas it breaks away from main protease after 3 ns. Also, the in silico prediction of the fucoxanthin was verified through the in vitro colorimetric method by inhibiting the binding between angiotensinconverting enzyme 2 and spike protein in a concentration-dependent manner. These results indicate that fucoxanthin exhibits antiviral effects against severe acute respiratory syndrome coronavirus 2 by blocking the entry of the virus. Therefore, fucoxanthin from S. siliquastrum can be a potential candidate for treating coronavirus infection.

Atomistic simulation of surface passivated wurtzite nanowires: electronic bandstructure and optical emission

  • Chimalgi, Vinay U.;Nishat, Md Rezaul Karim;Yalavarthi, Krishna K.;Ahmed, Shaikh S.
    • Advances in nano research
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    • v.2 no.3
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    • pp.157-172
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    • 2014
  • The three-dimensional Nano-Electronic Modeling toolkit (NEMO 3-D) is an open source software package that allows the atomistic calculation of single-particle electronic states and optical response of various semiconductor structures including bulk materials, quantum dots, impurities, quantum wires, quantum wells and nanocrystals containing millions of atoms. This paper, first, describes a software module introduced in the NEMO 3-D toolkit for the calculation of electronic bandstructure and interband optical transitions in nanowires having wurtzite crystal symmetry. The energetics (Hamiltonian) of the quantum system under study is described via the tight-binding (TB) formalism (including $sp^3$, $sp^3s^*$ and $sp^3d^5s^*$ models as appropriate). Emphasis has been given in the treatment of surface atoms that, if left unpassivated, can lead to the creation of energy states within the bandgap of the sample. Furthermore, the developed software has been validated via the calculation of: a) modulation of the energy bandgap and the effective masses in [0001] oriented wurtzite nanowires as compared to the experimentally reported values in bulk structures, and b) the localization of wavefunctions and the optical anisotropy in GaN/AlN disk-in-wire nanowires.

A study on the hardening characterstics of the TiC layer formed by the reactive deposition technique (반응석출법에 의해 피복된 TiC의 경화거동에 관한 연구)

  • Nam, K.S.;Byon, E.S.;Lee, G.H.;Kim, D.H.
    • Journal of the Korean Society for Heat Treatment
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    • v.7 no.4
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    • pp.288-297
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    • 1994
  • In this study, lattice parameter, binding energy and microstructures of TiC layer according to the addition of Fe, Cr were investigated in the reactive deposition coating. From the results, the lattice parameters of the TiC layers by using ferro-titanium as a precursor were 4.329~4.339A but the lattice parameters of the TiC layers formed by ferro-titanium and ferro-chromium decreased to 4.316~4.330A. The hardness of the former's was HV(100g) 3,000~3,400kg/mm and the hardness of the latter's was HV (100g) 3,800~3,900. But, regardless of Cr and Fe, the binding energy of TiC layers were 454.75 eV for $Ti2p_{3/2}$ and were 281.85 eV for Cls. Meanwhile, the TiC layers were densified by addition of Fe, Cr and internal defects were reduced Therefore. it can be concluded that the remarkable hardness increment was obtained by the improvement of microstructures of TiC rather than the increase of bond strength or Peierls stress.

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