• Title/Summary/Keyword: 3-D Mechanism

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Metabolic Activation of Marijuana Constituents, Cannabinoids, in Relation to Their Toxicity for Human and Its Oxidation Mechanism

  • Ikuo, Yamamoto
    • Proceedings of the PSK Conference
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    • 2002.10a
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    • pp.194-199
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    • 2002
  • Many oxidative metabolites of tetrahydrocannabinols (THCs), active components of marijuana, were pharmacologically active, and 11-hydroxy-THCs, 11-oxo-${\Delta}^8$-THC, 7-oxo-${\Delta}^8$-THC, 8$\beta$, 9$\beta$-epoxyhexahydrocannabinol (EHHC), 9$\alpha$, l0$\alpha$-EHHC and 3'-hydroxy-${\Delta}^9$-THC were more active than THC in pharmacological effects such as catalepsy, hypothermia and barbiturate synergism in mice. Cannabidiol (CBD), another major component, was biotransfomred to two novel metabolites, 6-hydroxymethyl-${\Delta}^9$-THC and 3-pentyl-6, 7, 7a, 8, 9, lla-hexahydro-I, 7-dihydroxy-7, 1O-dimethyldibenzo[b, d]oxepin (PHDO) through 8R, 9-epoxy-CBD and 85, 9-epoxy-CBD, respectively. Both metabolites exhibited some pharmacological effects comparable to d9 - THe. Cannabinol (CBN), the other major component, was mainly metabolized to ll-hydroxy-CBN by hepatic microsomes of animals including humans. The pharmacological effects of the metabolite were higher than those of CBN demonstrating that II-hydroxylation of CBN is metabolic activation pathway of the cannabinoid as is the case in THCs. Tolerance and reciprocal cross-tolerance developed to pharmacological effects d8 - THC and ll-hydroxy-d8-THC , and the magnitude of tolerance development produced by the metabolite was significantly higher than that by d8-THC. The results indicate that ll-hydroxy-d8-THC has an important role not only in the pharmacological effects but also its tolerance development of d8 - THe. THCs and their metabolites competed to the specific binding of CP-55, 940, an agonist of cannabinoid receptor, to synaptic membrane from bovine cerebral cortex. The Ki value of THCs and their metabolites were closely paralleled to their pharmacological effects in mice. A novel cytochrome P450 (cyp2c29) was purified and identified as a major enzyme responsible for the metabolic activation of d8-THC at the II-position in the mouse liver. cDNA of CYP2C29 was cloned from a mouse cDNA library and its sequence was determined. The oxidation mechanism of THC by cyp2c29 was proposed.

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Electrical Conduction Mechanism of (Ba, Sr) $TiO_3$ Thin Film Capacitor in Low Electric Field Region (고유전 (Ba, Sr) $TiO_3$ 박막 커패시터의 저전계 영역에서의 전기전도기구)

  • Jang, Hoon;Jang, Byung-Tak;Cha, Seon-Yong;Lee, Hee-Chul
    • Journal of the Korean Institute of Telematics and Electronics D
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    • v.36D no.6
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    • pp.44-51
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    • 1999
  • The electrical conduction mechanism of high dielectric $(Ba,Sr)TiO_3$ (BST) thin film capacitor, which is the promising cell capacitor for high density DRAM, was investigated in low field region (<0.2MV/cm). It is known that the current in the low field region consists of dielectric relaxation current and leakage current. The current-time (I-t) measurement technique under the constant voltage was used for extracting successfully each current component. The conduction mechanism of the BST capacitor was deduced from the dependency of the current on the measurement temperature, strength of electric field, the polarity of applied electric field and post annealing process. From these results, it was suggested that the dielectric relaxation current and the leakage current are originated from the redistribution of internally trapped electron by hopping process and Pool-Frenkel conduction mechanism, respectively. It was also concluded that traps causing these two current components are due to oxygen vacancies within the BST film.

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Theoretical Investigations on Structure and Function of Human Homologue hABH4 of E.coli ALKB4

  • Shankaracharya, Shankaracharya;Das, Saibal;Prasad, Dinesh;Vidyarthi, Ambarish Sharan
    • Interdisciplinary Bio Central
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    • v.2 no.3
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    • pp.8.1-8.5
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    • 2010
  • Introduction: Recently identified human homologues of ALKB protein have shown the activity of DNA damaging drugs, used for cancer therapy. Bioinformatics study of hABH2 and hABH3 had led to the discovery of a novel DNA repair mechanism. Very little is known about structure and function of hABH4, one of the members of this superfamily. Therefore, in present study we are intended to predict its structure and function through various bioinformatics tools. Materials and Methods: Modeling was done with modeler 9v7 to predict the 3D structure of the hABH4 protein. This model was validated with the program Procheck using Ramachandran plot statistics and was submitted to PMDB with ID PM0076284. The 3d2GO server was used to predict the functions. Residues at protein ligand and protein RNA binding sites were predicted with 3dLigandSite and KYG programs respectively. Results and Discussion: 3-D model of hABH4, ALKBH4.B99990003.pdb was predicted and evaluated. Validation result showed that 96.4 % residues lies in favored and additional allowed region of Ramachandran plot. Ligand binding residues prediction showed four Ligand clusters, having 24 ligands in cluster 1. Importantly, conserved pattern of Glu196-X-Pro198- Xn-His254 in the functional domain was detected. DNA and RNA binding sites were also predicted in the model. Conclusion and Prospects: The predicted and validated model of human homologue hABH4 resulted from this study may unveil the mechanism of DNA damage repair in human and accelerate the research on designing of appropriate inhibitors aiding in chemotherapy and cancer related diseases.

Numerical Investigations of Turbulent Piloted Non-Premixed Flames (난류 Pilot 비예혼합 화염장의 상세구조 해석)

  • Lee, Jeonwon;Jeon, Sangtae;Kim, Yongmo
    • 한국연소학회:학술대회논문집
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    • 2014.11a
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    • pp.185-186
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    • 2014
  • The multi-environment probability density function model has been applied to simulate the turbulent stratified premixed flames. The direct quadrature method of moments (DQMOM) has been adopted to solve the transport PDF equation due to its computational efficiency and robustness. The IEM mixing model is employed to represent the mixing process and the chemical mechanism is based on Gri 3.0 mechanism. Numerical results obtained in this study are precisely compared with experimental data in terms of unconditional and conditional means for scalar fields and velocity fields.

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Quorum Sensing-Based Multiple Access Networks

  • Tissera, Surani;Choe, Sangho
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.41 no.7
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    • pp.750-753
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    • 2016
  • Quorum sensing (QS) is a bacterium-to-bacterium cell communication mechanism allowing bio-cell network construction but such mechanism is not well defined yet. We construct a QS-based multiple access network (MAN) and then numerically analyse its average uplink channel capacity as well as BER performance over diffusion-based 3-D molecular communication channels.

Nucleophilic Substitution Reactions of 2-Chloro-2-Propen-1-yl Arenesulfonates with Anilines and N,N-Dimethylanilines in Acetonitrile

  • 오혁근;정은미;이익춘
    • Bulletin of the Korean Chemical Society
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    • v.19 no.12
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    • pp.1334-1336
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    • 1998
  • Kinetic studies are carried out on the reactions of 2-chloro-2-propen-1-yl arenesulfonates with anilines and N,N-dimethylanilines in acetonitrilile at 45.0 ℃. The 2-chloro substituent is found to deactive the allyl moiety with considerable decrease in the rates. The sign and magnitude of the cross-interaction constant (ρxz 0.3) and the inverse secondary kinetic isotope effect (kH/kD 0.92) support an SN2 mechanism with a relatively tight transition state. The possibility of an SN2' mechanism can be safely precluded based on the ρxz values observed.

Distributed artificial capital market based planning in 3D multi-robot transportation

  • Akbarimajd, Adel;Simzan, Ghader
    • Advances in robotics research
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    • v.1 no.2
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    • pp.171-183
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    • 2014
  • Distributed planning and decision making can be beneficial from the robustness, adaptability and fault tolerance in multi-robot systems. Distributed mechanisms have not been employed in three dimensional transportation systems namely aerial and underwater environments. This paper presents a distributed cooperation mechanism on multi robot transportation problem in three dimensional environments. The cooperation mechanism is based on artificial capital market, a newly introduced market based negotiation protocol. In the proposed mechanism contributing in transportation task is defined as asset. Each robot is considered as an investor who decides if he is going to invest on some assets. The decision is made based on environmental constraint including fuel limitation and distances those are modeled as capital and cost. Simulations show effectiveness of the algorithm in terms of robustness, speed and adaptability.

The Study on the Kinematics of Carbody Tilting Mechanism for Railway Vehicles (철도차량용 차체틸팅기구의 기구학적 특성연구)

  • 김정석;김남포;고태환
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 2004.05a
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    • pp.384-388
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    • 2004
  • This study presents parametric studies for design of tiling mechanism to be used in 180km/h tilting train. The titling mechanism is composed of 4 links, a tilting bolster and an electro-mechanical actuator. First we have determined the installation height of tilting actuator using 3D tilting bogie modeling. Secondary, we verified movements of the tiling center and train body CG along variation of upper and lower span length. From this study, we obtained the upper and lower span length to minimize the lateral and vertical motion of CG of train body. Finally, we evaluated the tilting actuator force and power required to tilt the train body to $\pm$8$^{\circ}$.

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Kinetics and Mechanism of the Aminolysis of Aryl N-Benzyl Thiocarbamates in Acetonitrile

  • Oh, Hyuck-Keun
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.137-140
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    • 2011
  • The aminolysis reactions of phenyl N-benzyl thiocarbamate with benzylamines in acetonitrile at $50.0^{\circ}C$ are investigated. The reactions are first order in both the amine and the substrate. Under amine excess, pseudo-first coefficient ($k_{obs}$) are obtained, plot of $k_{obs}$ vs free amine concentration are linear. The signs of ${\rho}_{XZ}$ (< 0) are consistent with concerted mechanism. Moreover, the variations of $\rho_X$ and $\rho_Z$ with respect to the sustituent in the substrate and large ${\rho}_{XZ}$ value indicate that the reactions proceed concerted mechanism. The normal kinetic isotope effects ($k_H/k_D$ = 1.3 ~ 1.5) involving deuterated benzylamine nucleophiles suggest a hydrogen-bonded, four-centered-type transition state. The activation parameters, ${\Delta}H^\ddagger$ and ${\Delta}S^\ddagger$, are consistent with this transition state structure.

Nucleiphilic Substitution Reactions of Thiophenyl Dimethylacetates and Trimethylacetates wkth Benzylamines in Acetonitfile

  • O, Hyeok Geun;Park, Chi Yeol;Lee, Jae Mun;Lee, Ik Chun
    • Bulletin of the Korean Chemical Society
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    • v.22 no.4
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    • pp.383-387
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    • 2001
  • The kinetics and mechanism of the reactions of thiophenyl dimethylacetates (TDA) and trimethylacetates (TTA) with benzylamines in acetonitrile are studied. The reactions are first order in both the amine and the substrate. Relatively large values of ${\beta}X(\betanuc$ = 1.1-1.5; TDA and 1.1-1.5; TTA) and ${\beta}Z({\beta}lg$ = -1.8~-2.0; DTA and -1.3~-1.6; TTA) for benzylamines, significantly large kH/kD values (=1.2-1.5; DTA and 1.2-1.5; TTA) involving deuterated benzylamines, and large ${\rho}XZ$ (=0.82; TDA and 1.05; TTA) values are interpreted to indicate stepwise acyl transfer mechanism, but with the hydrogen bonded four center type transition state for benzylamine. The relatively greater magnitudes of ${\rho}XZ$ and the secondary kinetic isotope effects involving deuterated nucleophiles are in line with the proposed mechanism.