• Title/Summary/Keyword: crystal structure analysis

검색결과 784건 처리시간 0.03초

Synthesis and Biological Evaluation of Novel GSK-3β Inhibitors as Anticancer Agents

  • Choi, Min-Jeong;Oh, Da-Won;Jang, Jae-Wan;Cho, Yong-Seo;Seo, Seon-Hee;Jeong, Kyu-Sung;Ko, Soo-Young;Pae, Ae-Nim
    • Bulletin of the Korean Chemical Society
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    • 제32권6호
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    • pp.2015-2020
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    • 2011
  • A series of isoxazol-indolin-2-one was designed for GSK-3${\beta}$ inhibitors as novel anticancer agents based on their binding mode analysis in GSK-3${\beta}$ crystal structure. Total 21 compounds were synthesized and evaluated for their inhibitory activity against two tumor cell lines (DU145 and HT29). Most of the synthesized compounds were potent with above 80% inhibitory activity at 100 ${\mu}M$, and several compounds were examined for inhibitory activity against GSK-3${\beta}$. Among them, 15(Z) ($R_1$=H, $R_2$=3-Cl-phenyl) was most active with 78% inhibition of tumor cell line (HT29) at 20 ${\mu}M$ and 72% inhibition of GSK-3${\beta}$ at 20 ${\mu}M$.

New metabolites from the biotransformation of ginsenoside Rb1 by Paecilomyces bainier sp.229 and activities in inducing osteogenic differentiation by Wnt/β-catenin signaling activation

  • Zhou, Wei;Huang, Hai;Zhu, Haiyan;Zhou, Pei;Shi, Xunlong
    • Journal of Ginseng Research
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    • 제42권2호
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    • pp.199-207
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    • 2018
  • Background: Ginseng is a well-known traditional Chinese medicine that has been widely used in a range of therapeutic and healthcare applications in East Asian countries. Microbial transformation is regarded as an effective and useful technology in modification of nature products for finding new chemical derivatives with potent bioactivities. In this study, three minor derivatives of ginsenoside compound K were isolated and the inducing effects in the Wingless-type MMTV integration site (Wnt) signaling pathway were also investigated. Methods: New compounds were purified from scale-up fermentation of ginsenoside Rb1 by Paecilomyces bainier sp. 229 through repeated silica gel column chromatography and high pressure liquid chromatography. Their structures were determined based on spectral data and X-ray diffraction. The inductive activities of these compounds on the Wnt signaling pathway were conducted on MC3T3-E1 cells by quantitative real-time polymerase chain reaction analysis. Results: The structures of a known 3-keto derivative and two new dehydrogenated metabolites were elucidated. The crystal structure of the 3-keto derivative was reported for the first time and its conformation was compared with that of ginsenoside compound K. The inductive effects of these compounds on osteogenic differentiation by activating the Wnt/b-catenin signaling pathway were explained for the first time. Conclusion: This study may provide a new insight into the metabolic pathway of ginsenoside by microbial transformation. In addition, the results might provide a reasonable explanation for the activity of ginseng in treating osteoporosis and supply good monomer ginsenoside resources for nutraceutical or pharmaceutical development.

Synthesis of Yttria Stabilized Zirconia by Sol-gel Precipitation Using PEG and PVA as Stabilizing Agent

  • Bramhe, Sachin N.;Lee, Young Pil;Nguyen, Tuan Dung;Kim, Taik-Nam
    • 한국재료학회지
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    • 제23권8호
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    • pp.441-446
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    • 2013
  • There is increasing interest in zirconia as a dental material due to its aesthetics, as well as the exceptionally high fracture toughness and high strength that are on offer when it is alloyed with certain oxides like yttria. In recent years, many solution based chemical synthesis methods have been reported for synthesis of zirconia, of which the sol-gel method is considered to be best. Here, we synthesize zirconia by a sol gel assisted precipitation method using either PEG or PVA as a stabilizing agent. Zirconia sol is first synthesized using the hydrothermal method. We used NaOH as the precipitating agent in this method because it is easy to remove from the final solution. Zirconium and yttrium salts are used as precursors and PEG or PVA are used as stabilizers to separate the metal ions. The resulting amorphous zirconia powder is calcined at $900^{\circ}C$ for 2 h to get crystallized zirconia. XRD analysis confirmed the partially stabilized zirconia synthesis in all the synthesized powders. SEM was taken to check the morphology of the powder synthesized using either PEG or PVA as a stabilizing agent and finally the transparency was calculated. The results confirmed that the powder synthesized with 10 % PVA as the stabilizing agent had highest percentage of transparency among all the synthesized powder.

$TiO_2$ 및 Ag 스퍼터링-$TiO_2$ 플라즈마 용사피막의 광전류 및 광분해 특성 (Photoelectrical Conductivity and Photodegradation Properties of $TiO_2$ and Ag Sputtered $TiO_2$ Plasma Spraying Coatings)

  • 강태구;장용호;박경채
    • Journal of Welding and Joining
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    • 제27권2호
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    • pp.38-43
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    • 2009
  • In this study, we investigated photocatalytic ability of plasma sprayed $TiO_2$ and Ag sputtering $TiO_2$(Ag-$TiO_2$) coatings. A sputtering processes were adopted to coat the surface of $TiO_2$ with Ag(99.99%). Ag was sputtered at 10mA, 450V for $1{\sim}11$ seconds. $TiO_2$ and Ag-$TiO_2$ coatings were heat-treated at 250, 300, 350, $400^{\circ}C$ for $0{\sim}240$seconds. Photoelectrical conductivity was measured by four-point probe, and photodegradation was calculated by UV-V is spectrometer. Microstructure observation of $TiO_2$ and Ag-$TiO_2$ coatings were investigated by SEM. Crystal structure of $TiO_2$ and Ag-$TiO_2$ coatings were investigated by XRD. Qualitative analyses of $TiO_2$ and Ag-$TiO_2$ coatings were conducted by EDX. When $TiO_2$ coatings were heat-treated at $350^{\circ}C$ for 30 sec, photoelectrical conductivity and photodegradation were best. And in XRD analysis result, (101)/(110) relative intensity ratio of $TiO_2$(rutile) was comparably changed with photoelectrical conductivity. When Ag-$TiO_2$ coatings were heat-treated at $350^{\circ}C$ for 30 [sec] after sputtering Ag for 7 sec, Photoelectrical conductivity and photodegradation are best. Surface of coatings in such condition has very small and uniform Ag particles.

Mechanical Properties and Microstructure of the Leucite-Reinforced Glass-Ceramics for Dental CAD/CAM

  • Byeon, Seon-Mi;Song, Jae-Joo
    • 치위생과학회지
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    • 제18권1호
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    • pp.42-49
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    • 2018
  • The computer-aided design/computer-aided manufacturing (CAD/CAM) system was introduced to shorten the production time of all-ceramic restorations and the number of patient visits. Among these types of ceramic for dental CAD/CAM, they have been processed into inlay, onlay, and crown shapes using leucite-reinforced glass-ceramics to improve strength. The purpose of this study was to observe the mechanical properties and microstructure of leucite-reinforced glass-ceramics for dental CAD/CAM. Two types of leucite-reinforced glass-ceramic blocks (IPS Empress CAD, Rosetta BM) were prepared with diameter of 13 mm and thickness of 1 mm. Biaxial flexural testing was conducted using a piston-on-three-ball method at a crosshead speed of 0.5 mm/min. Weibull statistics were used for the analysis of biaxial flexural strength. Fracture toughness was obtained using an indentation fracture method. Specimens were observed by field emission scanning electron microscopy to examine the microstructure of the leucite crystalline phase after acid etching with 0.5% hydrofluoric acid aqueous solution for 1 minute. The results of strength testing showed that IPS Empress CAD had a mean value of $158.1{\pm}8.6MPa$ and Rosetta BM of $172.3{\pm}8.3MPa$. The fracture toughness results showed that IPS Empress CAD had a mean value of $1.28{\pm}0.19MPa{\cdot}m^{1/2}$ and Rosetta BM of $1.38{\pm}0.12MPa{\cdot}m^{1/2}$. The Rosetta BM sample exhibited higher strength and fracture toughness. Moreover, the crystalline phase size and ratio were increased in the Rosetta BM sample. The above results are expected to elucidate the basic mechanical properties and crystal structure characteristics of IPS Empress CAD and Rosetta BM. Additionally, they will help develop leucite-reinforced glass-ceramic materials for CAD/CAM.

역미셀을 이용한 감마-알루미나 나노입자 합성에 대한 통계적 분석 (Statistical Analysis of Synthesis of Gamma-alumina (γ-Al2O3) Nanoparticles Using Reverse Micelles)

  • 이길우;유계상
    • 공업화학
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    • 제28권3호
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    • pp.351-354
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    • 2017
  • 역미셀법을 이용하여 열적 안정성이 우수한 감마-알루미나의 합성 공정을 최적화하기 위하여 실험계획법을 사용하였다. 먼저 합성공정에 주 요소인 계면활성제, 물 및 오일의 비에 대한 최적의 실험조건을 설계하기 위하여 혼합물 실험법을 이용하여 12가지 실험조건을 도출하였다. 설계된 조건에서 역미셀법을 이용하여 합성한 입자를 $900^{\circ}C$에서 소성한 결과 입자의 크기에 차이는 있었지만 모두 감마-알루미나 결정구조를 가졌다. 도출된 실험결과를 이용하여 계산된 2차 회귀모델의 결정계수는 93.68%이었으며, P- 값이 0.002로서 유의하다고 할 수 있다. 다양한 입자크기를 가지는 감마-알루미나의 합성조건을 모든 범위에서 대하여 표면도와 등고선도를 이용하여 제시하였다. 그 결과 Surfactant/Water/Oil의 질량비가 0.3450/0.0729/0.5821인 조건에서 합성할 때 약 2.8 nm의 가장 작은 입자가 합성되는 것으로 계산되었다.

이온성액체 기반 은 나노입자 합성을 위한 통계적 실험 분석 (Statistical Analysis for Silver Nanoparticle Synthesis Using Ionic Liquid)

  • 이길우;유계상
    • 공업화학
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    • 제29권1호
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    • pp.77-80
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    • 2018
  • 이온성액체를 이용하여 다양한 크기를 형성하는 은 나노입자를 합성하였다. 보다 효율적인 연구를 수행하기 위하여 통계적 방법을 이용한 실험과정 및 결과를 분석하였다. 먼저 은 입자 형성에 미치는 실험조건을 규명하기 위하여 5가지 조건, 시간, 온도, NaOH 농도, 환원제 및 이온성액체의 양의 영향을 분석하였다. 결과적으로 시간과 온도가 은 입자형성에 미치는 영향이 미미한 것으로 나타났다. 이후 나머지 3가지 인자에 대한 실험조건을 통계적으로 구성하였다. XRD 분석 결과 모든 조건에서 합성된 입자는 순수한 은 결정구조를 가지고 있었다. 합성된 은 입자의 크기를 결정하기 위하여 HR-SEM을 통해서 분석하였다. 3가지 합성조건에서는 NaOH 농도가 은 입자의 크기를 결정하는데 가장 큰 영향을 미쳤으며 환원제의 농도는 상대적으로 미비하였다. 다양한 크기를 가지는 은 입자의 합성 조건을 NaOH와 이온성액체에 대하여 통계적 방법을 이용하여 표면도와 등고선도를 제시하였다. 또한 3가지 실험조건에 따른 은 입자의 크기를 혼합물법을 이용하여 도출하였다.

Isolation, Physicochemical Properties and Toxicities of Territrem A' and B'

  • Ling, Kuo Huang;Peng, Fu Chuo;Chen, Bai Jiun;Wang, Yu;Lee, Gene Hsiang
    • 생약학회지
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    • 제17권2호
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    • pp.153-160
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    • 1986
  • We have isolated two new metabolites of territrem, designated as territrem $A'\;(TRA';\;C_{28}H_{30}O_{10})$ and $B'\;(TRB';\; C_{29}H_{34}O_{10})$ from chloroform extract of rice culture of Aspergillus terreus 23-1, using the same isolation procedure as that for territrem A, B and C(TRA, TRB, TRC). The present isolation procedure gave about 5 mg of TRA' and 10 mg of TRB' from 4 kg of rice culture per batch. Analysis of the high resolution mass spectrum showed that the molecular composition of TRA' and TRB' are $C_{28}H_{30}O_{10}$ and $C_{29}H_{34}O_{10}$ respectively, Some results of physicochemical properties were presented in this paper. Single crystal X-ray diffractometry of TRB' showed that the three dimensional structure of TRB' has not changed significantly from that of $TRB\;(C_{29}H_{34}O_9)$, except for the insertion of one oxygen atom into TRB to make additional pyran in the E-ring. It is also suggested that the aromatic moiety of TRA' is similar to that of $TRA\;(C_{28}H_{30}O_9)$ and the rest non-aromatic portions resemble to those of TRB'. The tremorgenic activity, lethality and inhibitory effect on acetylcholine esterase of TRA' and TRB' are greatly reduced comparing to that of TRA and TRB.

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충방전 과정중 구조가 안정한 Zr이 도핑된 LiCoO2 분말 (Structural Stability During Charge-Discharge Cycles in Zr-doped LiCoO2 Powders)

  • 김선혜;심광보;안재평;김창삼
    • 한국세라믹학회지
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    • 제45권3호
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    • pp.167-171
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    • 2008
  • Zirconium-doped $Li_{1.1}Co_{1-x}Zr_xO_2(0{\leq}x{\leq}0.05)$ powders as cathode materials for lithium ion batteries were synthesized using an ultrasonic spray pyrolysis method. Cyclic voltammetry and cyclic stability tests were performed, and the changes of microstructure were observed. The solubility limit of zirconium into $Li_{1.1}CoO_2$ was less than 5 mol%, and monoclinic $Li_2ZrO_3$ phase was formed above the limit. The Zr-doping suppressed the grain growth and increased the lattice parameters of the hexagonal $LiCoO_2$ phase. The Zr-dopiong of 1mol% resulted in the best cyclic performance in the range of $3.0{\sim}4.3V$ at 1C rate (140 mA/g); the initial discharge capacity decreased from 158 mAh/g to 60 mAh/g in the undoped powder, while from 154 mAh/g to 135 mAh/g in the Zr-doped powder of 1 mol% after 30 cycles. The excellent cycle stability of Zr-doped powder was due to the low polarization during chargedischarge processes which resulted from the delayed collapse of the crystal structure of the active materials with Zr-doping.

바이어스 스퍼터링 법으로 제조된 LiCoO2박막 I. 전기화학적 특성 ([ LiCoO2 ] Thin Film Deposited by Bias Sputtering Method I. Electrochemical Characteristics)

  • 이영재;박호영;조병원;조원일;김광범
    • 전기화학회지
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    • 제6권4호
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    • pp.261-265
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    • 2003
  • 박막전지의 제조공정 중 열처리 공정은 많은 문제점들을 가지고 있다. 본 연구에서는 열처리 공정 없이 박막의 구조변화를 유발하는 바이어스 스퍼터링(Bias sputtering) 방법으로 $LiCoO_2$ 양극 활물질 박막을 제조하여 그 특성을 고찰하였다. 제조된 박막은 다양한 분석 방법을 이용하여 결정구조, 표면형상, 방전용량을 관찰하였다, 제조된 $LiCoO_2$양극활물질 박막 중 -50 V의 기판 바이어스 전압$(substrate\;bias\;voltage:\;V_b)$을 인가하여 제조된 $LiCoO_2$ 양극 활물질 박막에서 약 $60{\mu}Ah/cm^2{\mu}m.$의 초기 방전 용량을 가짐을 확인하였다. 본 연구는 열처리 공정 없이도 박막전지의 양극활물질로서 $LiCoO_2$ 박막을 사용할 수 있음을 알 수 있었다.