• Title/Summary/Keyword: Mode synthesis

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Design, Synthesis, Antitumor Activity and Mode of Action of Novel Oxiranyl and Thiiranyl Phenol Derivatives

  • Yang, Zunhua;Kang, Jin-Ah;Kim, Won-Hee;Park, Ah-Young;Kim, Hyung-Sik;Kim, Jung-Su;Kim, Jin-Ah;Gong, Ping;Jeong, Lak-Shin;Moon, Hyung-Ryong
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1463-1469
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    • 2009
  • Eleven novel oxiranyl and thiiranyl phenolic compounds were synthesized as potential antitumor agents using epichlorohydrin and epithiohydrin in the presence of $K_2CO_3$. Cytotoxicities were found in range of I$C_{50}$ values of 2.5-14.8 $\mu$M, which was partially attributed to topoisomerase II inhibition. Bis-thiiranyl anthraquinone analog, 19 showed more cytotoxicity against MDA-MB-231 (breast cancer cell) and PC3 (prostate cancer cell) after 24 and/or 48 h and more potent topoisomerase II inhibitory activity than etoposide.

Effects of Progesterone on the Macromolecular Syntheses in Mouse Preimplantation Embryos in Vitro (프로제스트론이 培養中인 생쥐 初期胚兒의 高分子化合物合成에 미치는 影響에 관하여)

  • Cho, Wan-Kyoo;Kwon, Hyuk-Bang
    • The Korean Journal of Zoology
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    • v.22 no.2
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    • pp.81-93
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    • 1979
  • Metabolic changes of early mouse embryos treated with progesterone were investigated in order to elucidate the mode of action of progesterone on embryogenesis in vitro. The embryos were cultured, and labelled with radioactive precursors of macromolecules for certain periods in the absence or presence of various concentrations of progesterone by employing the microtube culture technique. The changes of transport and macromolecular synthesis systems of the embryos were examined by measuring the amounts of uptake and incorporation of the precursors. The results obtained were as follows: 1. Progesterone stimulated markedly the uptake of amino acids, but rather suppressed their incorporation by embryonic cells. 2. Progesterone suppressed both the uptake and incorporation of nucleotide precursors (uridine and thymidine) by embryonic cells. 3. Progesterone penetrated into the embryonic cell membranes and was taken up by them. The present results seem to indicate that the inhibition of the progesterone on the mammalian embryogenesis in vitro may not be directly related to the membrane transport system. They seem to imply that progesterone would penetrate into the embryonic cells and may directly block the biosynethetic pathways of macromolecules, and so lead to the inhibition of the embryogenesis in vitro.

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Failure Analysis and Accelerated Life Test of MoxW1-xSi2 Haters Fabricated by SHS process (SHS 공정으로 제조된 MoxW1-xSi2 발열체의 가속수명시험과 고장분석)

  • Lee, Dong-Won;Lee, Sang-Hun;Kim, Yong-Nam;Lee, Heesoo;Lee, Sung-Chul;Koo, Sang-Mo;Oh, Jong-Min
    • Journal of IKEEE
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    • v.21 no.3
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    • pp.252-255
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    • 2017
  • $Mo_xW_{1-x}Si_2$ heaters were fabricated by self-propagating high-temperature synthesis (SHS) process and post sintering process. To validate the reliability of the $Mo_xW_{1-x}Si_2$ heaters, the accelerated life test (ALT) was conducted, and then lifetime to $Mo_xW_{1-x}Si_2$ heaters was estimated by using Minitab programs. Also, the failure analysis of $Mo_xW_{1-x}Si_2$ heaters after ALT was performed through electrical and structural properties. As the results, it was confirmed that the dominant failure mode of $Mo_xW_{1-x}Si_2$ heaters is the crack formation in heaters and the delamination of protective $SiO_2$ layers.

Virtual Screening of Tubercular Acetohydroxy Acid Synthase Inhibitors through Analysis of Structural Models

  • Le, Dung Tien;Lee, Hyun-Sook;Chung, Young-Je;Yoon, Moon-Young;Choi, Jung-Do
    • Bulletin of the Korean Chemical Society
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    • v.28 no.6
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    • pp.947-952
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    • 2007
  • Mycobacterium tuberculosis is a pathogen responsible for 2-3 million deaths every year worldwide. The emergence of drug-resistant and multidrug-resistant tuberculosis has increased the need to identify new antituberculosis targets. Acetohydroxy acid synthase, (AHAS, EC 2.2.1.6), an enzyme involved in branched-chain amino acid synthesis, has recently been identified as a potential anti-tuberculosis target. To assist in the search for new inhibitors and “receptor-based” design of effective inhibitors of tubercular AHAS (TbAHAS), we constructed four different structural models of TbAHAS and used one of the models as a target for virtual screening of potential inhibitors. The quality of each model was assessed stereochemically by PROCHECK and found to be reliable. Up to 89% of the amino acid residues in the structural models were located in the most favored regions of the Ramachandran plot, which indicates that the conformation of each residue in the models is good. In the models, residues at the herbicide-binding site were highly conserved across 39 AHAS sequences. The binding mode of TbAHAS with a sulfonylurea herbicide was characterized by 32 hydrophobic interactions, the majority of which were contributed by residue Trp516. The model based on the highest resolution X-ray structure of yeast AHAS was used as the target for virtual screening of a chemical database containing 8300 molecules with a heterocyclic ring. We developed a short list of molecules that were predicted to bind with high scores to TbAHAS in a conformation similar to that of sulfonylurea derivatives. Five sulfonylurea herbicides that were calculated to efficiently bind TbAHAS were experimentally verified and found to inhibit enzyme activity at micromolar concentrations. The data suggest that this time-saving and costeffective computational approach can be used to discover new TbAHAS inhibitors. The list of chemicals studied in this work is supplied to facilitate independent experimental verification of the computational approach.

Damage detection for beam structures using an angle-between-string-and-horizon flexibility matrix

  • Yan, Guirong;Duan, Zhongdong;Ou, Jinping
    • Structural Engineering and Mechanics
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    • v.36 no.5
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    • pp.643-667
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    • 2010
  • The classical flexibility difference method detects damage by observing the difference of conventional deflection flexibility matrices between pre- and post-damaged states of a structure. This method is not able to identify multiple damage scenarios, and its criteria to identify damage depend upon the boundary conditions of structures. The key point behind the inability and dependence is revealed in this study. A more feasible flexibility for damage detection, the Angle-between-String-and-Horizon (ASH) flexibility, is proposed. The physical meaning of the new flexibility is given, and synthesis of the new flexibility matrix by modal frequencies and translational mode shapes is formulated. The damage indicators are extracted from the difference of ASH flexibility matrices between the pre- and post-damaged structures. One feature of the ASH flexibility is that the components in the ASH flexibility matrix are associated with elements instead of Nodes or DOFs. Therefore, the damage indicators based on the ASH flexibility are mapped to structural elements directly, and thus they can pinpoint the damaged elements, which is appealing to damage detection for complex structures. In addition, the change in the ASH flexibility caused by damage is not affected by boundary conditions, which simplifies the criteria to identify damage. Moreover, the proposed method can determine relatively the damage severity. Because the proposed damage indicator of an element mainly reflects the deflection change within the element itself, which significantly reduces the influence of the damage in one element on the damage indicators of other damaged elements, the proposed method can identify multiple damage locations. The viability of the proposed approach has been demonstrated by numerical examples and experimental tests on a cantilever beam and a simply supported beam.

Evaluation of Axial Buckling Effect in On-Line Axial Power Shape Synthesis (실시간 노심출력분포 합성에서의 축방향 경계조건 영향평가)

  • In, Wang-Kee;Kim, Joon-Sung;Yoon, Tae-Young;Auh, Geun-Sun;Kim, Hee-Cheol
    • Nuclear Engineering and Technology
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    • v.25 no.1
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    • pp.148-153
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    • 1993
  • A fifth-order Fourier series technique is applied in Core Operating Limit Supervisory System (COLSS) to construct the on-line core average axial power shape from in-core detector signals because of its simplicity and fast computation. Such a synthesizing accuracy depends on number of Fourier series modes and axial boundary conditions. COLSS currently uses the five-mode Fourier series technique which utilizes the five axially located fixed in-core detector signals and a constant axial boundary condition. Therefore, the constant axial boundary condition should be appropriately chosen based on the evaluation of its effect on the accuracy of the on-line calculations. The four cases of axial buckling (0.75, 0.8, 0.9 and 1.0) were examined for Yonggwang Nuclear Units 3&4 as the axial boundary conditions in this paper. The core average axial power shapes and the operating margins were compared for each case to determine the optimal constant axial buckling. The axial buckling of 0.9 was found to be the optimal value.

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Synthesis and Reaction Chemistry of Some Ferrocene-Containing Chelate Ligands with Dirhodium Acetate: X-ray Crystal Structure of $(\eta^1-(S,R)-CPFA)_2Rh_2(OAc)_4$

  • Kim, Eun-Jin;Kim, Tae-Jeong
    • Bulletin of the Korean Chemical Society
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    • v.15 no.11
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    • pp.990-996
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    • 1994
  • New ferrocene-based chelate amines, $Fe[C_5H_4CH(Me)NMe_2]_2\;(3), \;Fe[C_5H-3(CH(Me)NMe_2)(PPh_2)-1,2]_2\;(4),\;(C_5H_5)Fe(C_5H_3(CH_2NMe_2)(CH(CN)NMe_2-1,2)\;(6),\;and\;(C_5H_5)Fe(C_5H_3(CH_2NMe_2)(CH(Me)NMe_2-1,2)$ (7) have been prepared. The reaction and the coordination chemistry of 4 and other related compounds (S,R)-(1-N,N-dimethylaminoethyl)-2-dicyclohexylphosphino)ferrocene (CPFA) and 1,1'-bis-(diphenylphosphino)ferrocene (BPPF) with $Rh_2(OAc)_4(MeOH)_2$ were investigated. The reaction of the chiral ligand (S,R)-CPFA forms a complex of the type (${\eta}^1$-(S,R)-CPFA-P)$_2Rh_2(OAc)_4$ (8) in which the ligand is coordinated to both rhodium centers in a monodentate fashion through phosphorus. In contrast, the bisphosphine analogues such as BPPF and 4 afford chelate complexes of the type (${\eta}^2-PP)Rh_2(OAc)_4$ (9 & 10) where both ligands act as a chelate bidentate to a single rhodium atom. All these complexes were characterized by microanalytical and spectroscopic techniques. In one case, the structure of 8 was determined by X-ray crystallography. Crystals are monoclinic, space group C2 (No. 5), with a=26.389 (3), b=12.942 (1), c=11.825 (1) A, ${\beta}$=111.22(1)$^{\circ}$, V=3964.7 (8) $A^3$, Z=4, and $D_{calc}$=1.58 g $cm^{-3}$. Two Rh(II) centers are bridged by four $AcO^-$ groups in the ${\eta}^1$ : ${\eta}^1$ mode across a Rh-Rh single bond, and octahedral coordination at Rh(1) and Rh(1') is completed by axially coordinating (S,R)-CPFA and a briding $AcO^-$, respectively.

System Target Propagation to Model Order Reduction of a Beam Structure Using Genetic Algorithm (유전자 알고리즘을 이용한 시스템 최적 부분구조화)

  • Jeong, Yong-Min;Kim, Jun-Sik
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.35 no.3
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    • pp.175-182
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    • 2022
  • In many engineering problems, the dynamic substructuring can be useful to analyze complex structures which made with many substructures, such as aircrafts and automotive vehicles. It was originally intended as a method to simplify the engineering problem. The powerful advantage to this is that computational efficiency dramatically increases with eliminating unnecessary degrees-of-freedom of the system and the system targets are concurrently satisfied. Craig-Bampton method has been widely used for the linear system reduction. Recently, multi-level optimization (such as target cascading), which propagates the system-level targets to the subsystem-level targets, has been widely utilized. To this concept, the genetic algorithm which one of the global optimization technique has been utilized to the substructure optimization. The number of internal modes for each substructure can be obtained by the genetic algorithm. Simultaneously, the reduced system meets the top-level targets. In this paper, various numerical examples are tested to verify this concept.

KRG and its major ginsenosides do not show distinct steroidogenic activities examined by the OECD test guideline 440 and 456 assays

  • Namkyu Lee;Ju Hyeong Lee;Ji Eun Won;Youn Ji Lee;Sun Hee Hyun;Yeong-Deuk Yi ;Gyo In;Hee Dong Han;YoungJoo Lee
    • Journal of Ginseng Research
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    • v.47 no.3
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    • pp.385-389
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    • 2023
  • Background: Ginseng has been used as a traditional medicine for treatment of many diseases and for general health maintenance. Previously, we showed that ginseng did not demonstrate estrogenic property in ovariectomized mouse model. However, it is still possible that disruption of steroidogenesis leading to indirect hormonal activity. Methods: The hormonal activities were examined in compliance with OECD guidelines for detecting endocrine disrupting chemicals: test guideline (TG) No. 456 (an in vitro assay method for detecting steroidogenesis property) and TG No. 440 (an in vivo short-term screening method for chemicals with uterotrophic property). Results: Korean Red Ginseng (KRG) and ginsenosides Rb1, Rg1, and Rg3 did not interfere with estrogen and testosterone hormone synthesis as examined in H295 cells according to TG 456. KRG treatment to ovariectomized mice did not show a significant change in uterine weight. In addition, serum estrogen and testosterone levels were not change by KRG intake. Conclusion: These results clearly demonstrate that there is no steroidogenic activity associated with KRG and no disruption of the hypothalamic-pituitary-gonadal axis by KRG. Additional tests will be performed in pursuit of cellular molecular targets of ginseng to manifest mode of action.

Synthesis of DMDBTDMA and determination of radiolysis products by GC/MS (DMDBTDMA의 합성 및 방사선 분해산물의 GC/MS 분석)

  • Yang, Han-Beom;Lee, Eil-Hee;Park, Gyo-Beom
    • Analytical Science and Technology
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    • v.21 no.5
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    • pp.403-411
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    • 2008
  • Dimethyldibutyltetradecylmalonamide (DMDBTDMA) extractant was used in a solvent extraction process for a radioactive liquid waste treatment. For the study of radiolysis phenomena, DMDBTDMA was synthesized and the degradation compounds (n-methylbutylamine, tetradecane, 1-tetradecanol) in the DMDBTDMA extractant, irradiated with $^{60}Co$ gamma ray, were identified and determined as radiolysis products by a Fourier transform infrared (FT-IR), gas chromatograph/mass spectrometer (GC/MS) analysis and GC/MS with selected ion monitoring (SIM) mode. Retention behavior of n-methylbutylamine, n-dodecane, tetradecane and 1-tetradecanol in the total ion chromatogram with the standard materials and n-dodecane as the internal standard (ISTD) were 2.35 min., 8.83 min., 10.68 min. and 12.75 min., respectively. In the case of tetradecane, there was a linear relationship between the concentration of the tetradecane and the absorbed dose of the ${\gamma}$-ray irradiated DMDBTDMA.