• 제목/요약/키워드: vasp

검색결과 60건 처리시간 0.022초

밀도함수 이론법을 이용한 마그네슘 합금의 재료특성 예측에 관한 연구 (A Study on the Prediction of the Material Properties of Magnesium Alloys Using Density Functional Theory Method)

  • 백민숙;원대희;김병일
    • 한국재료학회지
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    • 제17권12호
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    • pp.637-641
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    • 2007
  • The total energy and strength of Mg alloy doped with Al, Ca and Zn, were calculated using the density functional theory. The calculations was performed by two programs; the discrete variational $X{\alpha}\;(DV-X{\alpha})$ method, which is a sort of molecular orbital full potential method; Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The fundamental mixed orbital structure in each energy level near the Fermi level was investigated with simple model using $DV-X{\alpha}$. The optimized crystal structures calculated by VASP were compared to the measured structure. The density of state and the energy levels of dopant elements was discussed in association with properties. When the lattice parameter obtained from this study was compared, it was slightly different from the theoretical value but it was similar to Mk, and we obtained the reliability of data. A parameter Mk obtained by the $DV-X{\alpha}$ method was proportional to electronegativity and inversely proportional to ionic radii. We can predict the mechanical properties because $\Delta{\overline{Mk}}$is proportional to hardness.

Antiplatelet effects of scoparone through up-regulation of cAMP and cGMP on U46619-induced human platelets

  • Lee, Dong-Ha
    • Journal of Applied Biological Chemistry
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    • 제62권4호
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    • pp.425-431
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    • 2019
  • Platelet activation is essential for hemostatic process on blood vessel damage. However, excessive platelet activation can cause some cardiovascular diseases including atherosclerosis, thrombosis, and myocardial infarction. Scoparone is commonly encountered in the roots of genus Artemisia or Scopolia, and has been studied for its potential pharmacological properties including immunosuppression and vasorelaxation, but antiplatelet effects of scoparone have not been reported yet. We investigated the effect of scoparone on human platelet activation prompted by an analogue of thromboxane A2, U46619. As the results, scoparone dose-dependently increased cyclic adenosine monophosphate (cAMP) levels as well as cyclic guanosine monophosphate (cGMP) levels, both being aggregation-inhibiting molecules. In addition, scoparone strongly phosphorylated inositol 1, 4, 5-triphosphate receptor (IP3R) and vasodilator-stimulated phosphoprotein (VASP), substrates of cAMP dependent kinase and cGMP dependent kinase. Phosphorylation of IP3R by scoparone resulted in inhibition of Ca2+ mobilization in calcium channels in a dense tubular system, and phosphorylation of VASP by scoparone led to an inability of fibrinogen being able to bind to αIIb/β3. Finally, scoparone inhibited thrombin-induced fibrin clotting, thereby reducing thrombus formation. Therefore, we suggest that scoparone has a strong antiplatelet effect and is highly probable to prevent platelet-derived vascular disease.

Inhibitory effects of isoscopoletin on thrombus formation via regulation of cyclic nucleotides in collagen-induced platelets

  • Lee, Dong-Ha
    • Journal of Applied Biological Chemistry
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    • 제63권3호
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    • pp.235-241
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    • 2020
  • An essential component of the hemostatic process during vascular damage is platelet activation. However, many cardiovascular diseases, such as atherosclerosis, thrombosis, and myocardial infarction, can develop due to excessive platelet activation. Isoscopoletin, found primarily in plant roots of the genus Artemisia or Scopolia, has been studied to demonstrate potential pharmacological effects on Alzheimer's disease and anticancer, but its mechanisms and role in relation to thrombus formation and platelet aggregation have not yet been discovered. This research investigated the effect of isoscopoletin on collagen-induced human platelet activation. As a result, isoscopoletin strongly increased cyclic adenosine monophosphate (cAMP) and cyclic guanosine monophosphate (cGMP) levels in a concentration-dependent manner. In addition, isoscopoletin greatly phosphorylated inositol 1,4,5-triphosphate receptor (IP3R) and vasodilator-stimulated phosphoprotein (VASP), known substrates of cAMP-dependent kinase and cGMP dependent kinase. Phosphorylation of IP3R by isoscopoletin induced Ca2+ inhibition from the dense tubular system Ca2+ channels, and VASP phosphorylation was involved in fibrinogen binding inhibition by inactivating αIIb/β3 in the platelet membrane. Isoscopoletin finally reduced thrombin-induced fibrin clot production and finally reduced thrombus formation. Therefore, this research suggests that isoscopoletin has strong antiplatelet effects and is likely to be helpful for thrombotic diseases involving platelets by acting as a prophylactic and therapeutic agent.

무선 인터넷을 위한 신용카드 기반의 인증 및 키 교환 프로토콜 (A Credit Card based Authentication and Key Exchange Protocol for Mobile Internet)

  • 이현주;이충세
    • 한국정보통신학회논문지
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    • 제7권8호
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    • pp.1732-1742
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    • 2003
  • 무선 인터넷에서 신용카드 지불을 수행하는 WPP 프로토콜은 WAP의 보안 프로토콜인 WTLS를 사용한다. WTLS의 사용은 종단간 보안을 제공하지 못하는 문제점을 가지고 있다. 본 논문에서는 AIP 프로토콜에서 Mobile Gateway를 사용함으로서 무선 인터넷 플랫폼에 독립적이며 사용자와 VASP간에 보안이 제공되는 프로토콜을 제안한다. 또한, 타원곡선상에서 덧셈군 알고리즘인 Weil Diffie­Hellman 키 교환을 적용하여 인증과 지불 초기화 과정에 사용될 세션키를 생성함으로써 이동성이 많은 무선 인터넷 환경에 적합한 프로토콜을 제안한다.

Y이 도핑된 ZnO의 전자상태 계산 (Calculation on Electronic State of Y-doped ZnO)

  • 이동윤;이원재;송재성;구보근;김현주
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2005년도 하계학술대회 논문집 Vol.6
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    • pp.172-173
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    • 2005
  • The electronic state of ZnO doped with Y was calculated using the density functional theory. In this study, the program used for the calculation on theoretical structures of ZnO and doped ZnO was Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The detail of electronic structure was obtained by the descrite variational $X\alpha$ (DV-$X\alpha$) method, which is a sort of molecular orbital full potential method. The optimized crystal structures obtained by calculations were compared to the measured structure. The density of state and energy levels of dopant elements was shown and discussed in association with optical properties.

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U46619 유도의 혈소판에서 Cyclic Nucleotides 조절을 통한 Isoscopoletin의 혈전생성 억제효과 (Anti-thrombus Effects of Isoscopoletin by Regulating Cyclic Nucleotides on U46619-induced Platelets)

  • 이동하
    • 생약학회지
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    • 제52권1호
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    • pp.26-33
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    • 2021
  • During blood vessel damage, an essential step in the hemostatic process is platelet activation. However, it is important to properly control platelet activation, as various cardiovascular diseases, such as stroke, atherosclerosis, and myocardial infarction, are also caused by excessive platelet activation. Found primarily in the roots of plants of the genus Artemisia or Scopolia, isoscopoletin has been studied to demonstrate its potential pharmacological effects against Alzheimer's disease and anticancer, but the mechanisms and roles involved in thrombus formation and platelet aggregation are insufficient. This study investigated the effect of isoscopoletin on U46619-induced human platelet activation. As a result, isoscopoletin significantly increased the levels of cyclic adenosine monophosphate (cAMP) and cyclic guanosine monophosphate (cGMP) dose-dependently. In addition, isoscopoletin significantly phosphorylated inositol 1, 4, 5-triphosphate receptor (IP3R) and vasodilator-stimulated phosphprotein (VASP), which are known substrates for cAMP-dependent kinases and cGMP-dependent kinases. Phosphorylated IP3R by isoscopoletin inhibited Ca2+ mobilization from the dense tubular system Ca2+ channels to cytosol, and phosphorylated VASP was involved in the inhibition of fibrinogen binding through αIIb/β3 inactivation in the platelet membrane. Isoscopoletin finally reduced thrombin-induced fibrin clotting production. Therefore, this study suggests that isoscopoletin has a potent antiplatelet effect and may be helpful for platelet-related thrombotic diseases.

Anti-platelet effects of Artesunate through Regulation of Cyclic Nucleotide on Collagen-induced Human Platelets

  • Dong-Ha Lee
    • 대한의생명과학회지
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    • 제29권1호
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    • pp.41-47
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    • 2023
  • Discovery of new substance that can regulate platelet aggregation or suppress aggregation will aid in the prevention and treatment of cardiovascular diseases. Artesunate is a compound from plant roots of Artemisia or Scopolia, and its effects have shown to be promising in areas of anticancer and Alzheimer's disease. However, the role and mechanisms by which artesunate affects the aggregation of platelets, and the formation of a thrombus are currently not understood. This study examined the ways artesunate affects platelets activation and thrombus formation induced by collagen. As a result, cAMP and cGMP production were increased significantly by artesunate relative to the doses, as well as phosphorylated VASP and IP3R, substrates to cAMP-dependent kinase and cGMP-dependent kinase, in a significant manner. The Ca2+ normally mobilized from the dense tubular system was inhibited due to IP3R, phosphorylation from artesunate, and phosphorylated VASP aided in inhibiting platelet activity via αIIb/β3 platelet membrane inactivation and inhibiting fibrinogen binding. Finally, artesunate inhibited thrombin-induced thrombus formation. Therefore, we suggest that artesunate has importance with cardiovascular diseases stemming from the abnormal platelets activation and thrombus formation by acting as an effective prophylactic and therapeutic agent.

Inhibitory effects of total saponin from Korean red ginseng via vasodilator-stimulated phosphoprotein-Ser157 phosphorylation on thrombin-induced platelet aggregation

  • Lee, Dong-Ha;Cho, Hyun-Jeong;Kim, Hyun-Hong;Rhee, Man Hee;Ryu, Jin-Hyeob;Park, Hwa-Jin
    • Journal of Ginseng Research
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    • 제37권2호
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    • pp.176-186
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    • 2013
  • In this study, we have investigated the effects of total saponin from Korean red ginseng (TSKRG) on thrombin-induced platelet aggregation. TSKRG dose-dependently inhibited thrombin-induced platelet aggregation with $IC_{50}$ value of about 81.1 ${\mu}g/mL$. In addition, TSKRG dose-dependently decreased thrombin-elevated the level of cytosolic-free $Ca^{2+}$ ($[Ca^{2+}]_i$), one of aggregation-inducing molecules. Of two $Ca^{2+}$-antagonistic cyclic nucleotides as aggregation-inhibiting molecules, cyclic adenosine monophosphate (cAMP) and cyclic guanosine monophosphate (cGMP), TSKRG significantly dose-dependently elevated intracellular level of cAMP, but not cGMP. In addition, TSKRG dose-dependently inhibited thrombin-elevated adenosine triphosphate (ATP) release from platelets. These results suggest that the suppression of $[Ca^{2+}]_i$ elevation, and of ATP release by TSKRG are associated with upregulation of cAMP. TSKRG elevated the phosphorylation of vasodilator-stimulated phosphoprotein (VASP)-$Ser^{157}$, a cAMP-dependent protein kinase (A-kinase) substrate, but not the phosphorylation of VASP-$Ser^{239}$, a cGMP-dependent protein kinase substrate, in thrombin-activated platelets. We demonstrate that TSKRG involves in increase of cAMP level and subsequent elevation of VASP-$Ser^{157}$ phosphorylation through A-kinase activation to inhibit $[Ca^{2+}]_i$ mobilization and ATP release in thrombin-induced platelet aggregation. These results strongly indicate that TSKRG is a beneficial herbal substance elevating cAMP level in thrombin-platelet interaction, which may result in preventing of platelet aggregation-mediated thrombotic diseases.

타원곡선 기반의 이동 통신 환경에서의 인증 및 키 합의 프로토콜 (Authentication and Key Agreement Protocol based on ECC in Mobile Communication)

  • 정선영;김동휘;최영근;김순자
    • 한국정보보호학회:학술대회논문집
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    • 한국정보보호학회 2002년도 종합학술발표회논문집
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    • pp.306-310
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    • 2002
  • 이동 통신의 급격한 발달로 다양한 부가가치서비스가 등장하고, 이러한 서비스를 좀더 편리하고 안전하게 사용하고 싶어하는 사용자와 부가가치서비스를 제공하는 VASP(Value -Added Service Provider) 사이의 보안이 필수적인 것이 되었다. 이를 위하여 이동 통신 환경의 한계인 제한된 자원과 제한된 계산력을 극복할 수 있도록 적은키 길이를 가지고 보다 안전한 서비스를 제공할 수 있는 타원곡선 암호시스템(ECC)를 기반으로 하여 부가가치서비스에 효율적인 인증 및 키 합의 프로토콜을 제안하고, 차세대 이동통신시스템에 적용해본다.

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증류탑에의 최적제어 응용연구 (Application of optimal control to a distillation column)

  • 장홍래;박현수;서인석
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 1986년도 한국자동제어학술회의논문집; 한국과학기술대학, 충남; 17-18 Oct. 1986
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    • pp.209-211
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    • 1986
  • The continuous time linear quadratic problem (LQP) has been applied to the control of a 8-tray distillation column using the code VASP. The weighting matrices for the state variables and control variables were adjusted iteratively. The simulation results of the optimal control with 2 inputs and 2 outputs showed that the LQP method is very satisfactory for a rapid response and feedback control, and any desired response could be obtained by adjusting the weighting matrices Q under = and R under =. The feedback gain matrix K under = was also determined.

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