• Title/Summary/Keyword: I3A

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Synthesis and 3D-QSAR of p-Hydroxybenzohydrazide Derivatives With Antimicrobial Activity Against Multidrug-Resistant Staphylococcus aureus (다중의약품에 저항하는 Staphylococcus aureus 균에 항균성을 가지는 파라-히드록시벤조히드라자이드 유도체의 합성과 구조-활성관계 3차원 정량분석)

  • Bhole, Ritesh P.;Bhusari, Kishore P.
    • Journal of the Korean Chemical Society
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    • v.54 no.1
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    • pp.77-87
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    • 2010
  • Hospital-acquired methicillin-resistant Staphylococcus aureus (MRSA) has been an increasing problem worldwide since the initial reports over 40 years ago. To examine new drug leads with potential antibacterial activities, Various N'-[(-3-substituted-4-oxo-1,3-thiazolidin-2-ylidene]-4-hydroxy benzohydrazide (4a-4.i) and N'-[-(3,4-disubstituted)-1,3-thiazolidin-2ylidene)]-4-hydroxybenzohydrazide from (5.a-5.i) to (10.a-10.i) were synthesized using appropriate synthetic route. The entire test compounds (4.a-4.i) and from (5.a-5.i) to (10.a-10.i) were assayed in vitro against s. aureus strain. The minimum inhibitory concentration (MIC) was determined for test compounds and for reference standards. The test compounds showed significant antibacterial activity against the strains used, when tested in vitro. In general, p-hydroxybenzohydrazide ring and substituted thiazoline ring are essential for antimicrobial activity. Among the compounds tested, compounds 6.f, 7.g, 9.f and 10.f, 10 i were found to be most potent. The test compounds were found nontoxic upto the dose level of 2000 ${\mu}g$/mL. The intact compounds were then subjected for 3D-QSAR studies. 3D-QSAR study based on the principal of alignment of pharmacophoric features by Schrodinger PHASE module. The 3D-QSAR study allowed us to confirm the preferential binding mode of p-hydroxybenzohydrazide inside the active site.

Enhancing Effects of Indole-3-carbinol on Hepatocarcinogenesis and Thyroid Tumorigenesis in a Rat Multi-Organ Carcinogenesis Model

  • Kim, Dae-Joong;Han, Beom-Seok;Ahn, Byeong-Woo;Kim, Chang-Ok;Choi, Kwang-Sik;Lee, Joon-Sup
    • Proceedings of the Korean Society of Applied Pharmacology
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    • 1994.04a
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    • pp.339-339
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    • 1994
  • It has been reported that Indole-3-carbinol (I3C), a naturally occurring compound In cruclferous vegetables, exerts anticarcinogenic activity In several organs In rodents. The modifying effects of I3C were therefore assessed uging a rat multi-organ carcinogenesis model. A total of 100 male Sprague-Dawley rats were divided Into 3 groups. Animals of groups 1 and 2 were sequentially treated with diethylnitrosamine (DEN; 100 mg/kg b.w., i.p.), N-methylnitrosourea (NNU; 20 mg/kg b.w., 4 times for 2 weeks, i.p), and dihydroxy-di-N-propylnitrosauine (DHPN; 0.1% In d.w. for 2 weeks) for 4 weeks (DMD treatment). Animals of groups 1 and 3 were given the diet of 0.25% I3C for 20 weeks after DMD initiation and then were given basal diet for 28 weeks. All animals were sacrificed at week 24 and 52, respectively. I3C has been clearly demonstrated promoting effects on the development of glutathione S-transferase placental form (GST-P) positive hepatic foci at 24 weeks of the experiment. And I3C also exerted promoting potential In the hepatocellular adenoma (4/14; 29%) and the adenoma (7/14; 50%) of the thyroid gland at 52 weeks of the experiment. Therefore, I3C may promote hepatocarcinogenesis and thyroid tumorigenesis in the rat multi-organ carcinogenesis model.

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Synthesis and Crystal Structure of Zinc Iodide in the Sodalite Cavities of Zeolite A (LTA)

  • Kim, Seok-Han;Park, Man;Son, Young-Ja;Lee, Hyung-Joo;Jeong, Gyo-Cheol;Bae, Myung-Nam;Lim, Woo-Taik
    • Bulletin of the Korean Chemical Society
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    • v.28 no.4
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    • pp.567-573
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    • 2007
  • The crystal structure of ZnI2 molecule synthesized in zeolite A (LTA) has been studied by single-crystal X-ray diffraction techniques. A single crystal of |Zn6|[Si12Al12O48]-LTA, synthesized by the dynamic ion-exchange of |Na12|[Si12Al12O48]-LTA with aqueous 0.05 M Zn(NO3)2 and washed with deionized water, was placed in a stream of flowing 0.05 M KI in CH3OH at 294 K for four days. The resulting crystal structure of the product (|K6Zn3(KI)3(ZnI2)0.5|[Si12Al12O48]-LTA, a = 12.1690(10) A) was determined at 294 K by single-crystal X-ray diffraction in the space group Pm3m. It was refined with all measured reflections to the final error index R1 = 0.078 for 431 reflections which Fo > 4σ (Fo). At four crystallographically distinct positions, 3.5 Zn2+ and nine K+ ions per unit cell are found: three Zn2+ and five K+ ions lie on the 3-fold axes opposite 6-rings in the large cavity, two K+ ions are off the plane of the 8-rings, two K+ ions are recessed deeply off the plane of the 8-rings, and the remaining a half Zn2+ ion lie on the 3-fold axes opposite 6-rings in the sodalite cavity. A half Zn2+ ion and an I- ion per unit cell are found in the sodalite units, indicating the formation of a ZnI2 molecule in 50% of the sodalite cavities. Each ZnI2 (Zn-I = 3.35(5) A) is held in place by the coordination of its one Zn2+ ion to the zeolite framework oxygens and by the coordination of its two I- ions to K+ ions through 6-rings (I-K = 3.33(8) A). Three additional I- ions per unit cell are found opposite a 4-ring in the large cavity and form a K3I2+ and two K2ZnI3+ ionic clusters, respectively.

Relationship between Gb3 Expression and Cytotoxicity of Shiga-like Toxin I (Shiga-like Toxin I의 세포독성과 수용체 Gb3 발현과의 관계)

  • Lim, Suk-Hwan;Kim, Gi-Young;Kim, Hyung-Chun;Kim, Young-Hee;Son, Yong-Hae;Oh, Yang-Hyo;Park, Yeong-Min
    • Clinical and Experimental Pediatrics
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    • v.46 no.2
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    • pp.143-153
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    • 2003
  • Purpose : Infection with Shiga-like toxin (SLT)-producing Escherichia coli, an emerging human pathogen found particularly in young children under 5 years of age, causes a spectrum of illnesses with high morbidity and mortality, ranging from diarrhea to hemorrhagic colitis and hemolytic uremic syndrome. Host mediators play an important role in the pathogenesis of SLT-I toxicity. The experiments described here were designed to investigate the effect of SLT-I on TNF-${\alpha}$ production and to understand the effect of TNF-${\alpha}$ on GB3 expression. We also further examine the relationship between the Gb3 level and the differential susceptibility of cells to the cytotoxic action of SLT-I. Methods : The effect of purified SLT-1 from E. coli O157 : H7 (ATCC 43890) on tumor necrosis factor-${\alpha}$ (TNF-${\alpha}$) production in Raw264.7 cells was investigated. Many mediators regulate endothelial cell membrane expression of the glycolipid globotriaosyleramide (Gb3), which serves as the toxin receptor, suggesting that the host response to the toxin or other bacterial products may contribute to pathogenesis by regulating target cell sensitivity to the toxins. Therefore, the relationships between Gb3 expression and cytotoxicity against SLT-I on three types of cells were evaluated. Results : Detectable levels of TNF-${\alpha}$ were produced as early as six hours after induction and continued to increase during 48 hours by SLT-I. It was also found that Vero cells and dendritic cells (DC2.4 cells) expressed high levels of Gb3, 83% and 68%, respectively, and that Raw264.7 cells had a low level of Gb3 (29%) and appeared refractory to cytotoxicity against SLT-I. Vero cells and DC2.4 cells expressing high levels of Gb3 were highly susceptible to SLT-I. Furthermore, macrophages showed a resistance to SLT-I cytotoxicity, despite the fact that Gb3 expression was enhanced. Conclusion : These results strongly suggest that the expression of Gb3 is necessary but not sufficient to confer sensitivity of macrophages to SLT-I and further underpin the important role of SLT-I and its Gb3 receptors in the pathogenesis of E. coli O157 infection.

Indole-3-Carbinol Promotes Goblet-Cell Differentiation Regulating Wnt and Notch Signaling Pathways AhR-Dependently

  • Park, Joo-Hung;Lee, Jeong-Min;Lee, Eun-Jin;Hwang, Won-Bhin;Kim, Da-Jeong
    • Molecules and Cells
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    • v.41 no.4
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    • pp.290-300
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    • 2018
  • Using an in vitro model of intestinal organoids derived from intestinal crypts, we examined effects of indole-3-carbinol (I3C), a phytochemical that has anticancer and aryl hydrocarbon receptor (AhR)-activating abilities and thus is sold as a dietary supplement, on the development of intestinal organoids and investigated the underlying mechanisms. I3C inhibited the in vitro development of mouse intestinal organoids. Addition of ${\alpha}$-naphthoflavone, an AhR antagonist or AhR siRNA transfection, suppressed I3C function, suggesting that I3C-mediated interference with organoid development is AhR-dependent. I3C increased the expression of Muc2 and lysozyme, lineage-specific genes for goblet cells and Paneth cells, respectively, but inhibits the expression of IAP, a marker gene for enterocytes. In the intestines of mice treated with I3C, the number of goblet cells was reduced, but the number of Paneth cells and the depth and length of crypts and villi were not changed. I3C increased the level of active nonphosphorylated ${\beta}$-catenin, but suppressed the Notch signal. As a result, expression of Hes1, a Notch target gene and a transcriptional repressor that plays a key role in enterocyte differentiation, was reduced, whereas expression of Math1, involved in the differentiation of secretory lineages, was increased. These results provide direct evidence for the role of AhR in the regulation of the development of intestinal stem cells and indicate that such regulation is likely mediated by regulation of Wnt and Notch signals.

High Frequencies of the CCR2b-64I and SDF1-3'A Mutations with HIV Infection in Koreans

  • Choi, Byeong-Sun;Cha, Seung-Hun;Kim, Sung Soon;Park, Yong-Keun;Lee, Joo-Shil
    • IMMUNE NETWORK
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    • v.2 no.2
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    • pp.86-90
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    • 2002
  • Background: Host genetic polymorphisms in the HIV-1 co-receptor CCR5 and CCR2b and SDF-1, ligand for co-receptor CXCR4, have been known to be associated with the resistance of HIV infection and/or the delayed disease progression in HIV-infected patients. Methods: We examined the frequencies of SDF1-3'A and CCR2b-64I alleles of 354 Koreans including 100 HIV-uninfected persons, 13 discordant spouses of HIV-infected persons, and 241 HIV-infected persons. The genotyping assays of SDF1 and CCR2b genes were carried out by polymerase chain reaction-restriction fragment length polymorphism. Results: The frequencies of CCR2b-64I and SDF1-3'A alleles in Koreans were very high compared with Caucasians and blacks. Observed frequencies of CCR2b-64I and SDF1-3'A allelic variants were 25.1% and 28.7%, respectively. The frequency of the CCR2b-64I allele in Koreans was 2~4 times higher than those of other ethnic groups with the exception of Asian. The frequencies of CCR2b-64I and SDF1-3'A genotypes did not show the significant difference between HIV-infected and uninfected Koreans. However, the prevalence of CCR2b-64I genotype of the LTNP group was about two times higher than that of the remainder group (P< 0.05). Four (45%) out of 9 LTNPs (long-term nonprogressors) showed having the SDF1-3'A allele and 7 (78%) out of 9 LTNPs carried the CCR2b-64I allele. 3 (33%) out of 9 LTNPs had both SDF1-3'A and CCR2b-64I alleles. But none of 5 RPs (rapid progressors) appeared to have both SDF1-3'A and CCR2b-64I alleles. Conclusion: The different genetic backgrounds in study populations may affect the disease progression and the AIDS epidemic in each country. Further studies need to define whether high frequencies of CCR2b-64I and SDF1-3'A allelic variants may affect the HIV disease progression.

An Anticoagulant Polysaccharide Isolated from Ganoderma lucidum (한국산 영지버섯에서 분리된 항응고성 다당)

  • 나경수;이별나;이현순;권미향
    • The Korean Journal of Food And Nutrition
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    • v.10 no.3
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    • pp.375-381
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    • 1997
  • The anticoagulant polysaccharide was screened from the ediable mushrooms. Among them, alkali extract of Ganoderma lucidum showed the highest activity in aPTT. A crude polysaccharide fraction (GL-I) was prepared from the 1N NaOH solution extract of Ganoderma lucidum followed by methanol-reflux, precipitation with ethanol, dialysis and lyophilization. GL-I inhibited the intrinsic pathway in blood coagulation pathway and exhibited concentration dependent anticoagulation effects. The anticoagulant activity of GL-I was decreased greatly by periodate oxidation, but was not changed by pronase digestion. These suggest that carbohydrate moiety may be related to the anticoagulant activity. GL-I consisted of glucose, galactose, fucose, xylose, mannose, arabinose in a molar ratio of 19.3:3.0:2.3:1.3:1.0:0.3. GL-I was partially purified on the DEAE-Toyopearl 650C(GL-IalongrightarrowGL-If) and on the Sephadex G-100(GL-Ic-ilongrightarrowGL-Ic-II).

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AN ANALOGUE OF THE HILTON-MILNER THEOREM FOR WEAK COMPOSITIONS

  • Ku, Cheng Yeaw;Wong, Kok Bin
    • Bulletin of the Korean Mathematical Society
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    • v.52 no.3
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    • pp.1007-1025
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    • 2015
  • Let $\mathbb{N}_0$ be the set of non-negative integers, and let P(n, l) denote the set of all weak compositions of n with l parts, i.e., $P(n,l)=\{(x_1,x_2,{\cdots},x_l){\in}\mathbb{N}^l_0\;:\;x_1+x_2+{\cdots}+x_l=n\}$. For any element $u=(u_1,u_2,{\cdots},u_l){\in}P(n,l)$, denote its ith-coordinate by u(i), i.e., $u(i)=u_i$. A family $A{\subseteq}P(n,l)$ is said to be t-intersecting if ${\mid}\{i:u(i)=v(i)\}{\mid}{\geq}t$ for all $u,v{\epsilon}A$. A family $A{\subseteq}P(n,l)$ is said to be trivially t-intersecting if there is a t-set T of $[l]=\{1,2,{\cdots},l\}$ and elements $y_s{\in}\mathbb{N}_0(s{\in}T)$ such that $A=\{u{\in}P(n,l):u(j)=yj\;for\;all\;j{\in}T\}$. We prove that given any positive integers l, t with $l{\geq}2t+3$, there exists a constant $n_0(l,t)$ depending only on l and t, such that for all $n{\geq}n_0(l,t)$, if $A{\subseteq}P(n,l)$ is non-trivially t-intersecting, then $${\mid}A{\mid}{\leq}(^{n+l-t-l}_{l-t-1})-(^{n-1}_{l-t-1})+t$$. Moreover, equality holds if and only if there is a t-set T of [l] such that $$A=\bigcup_{s{\in}[l]{\backslash}T}\;A_s{\cup}\{q_i:i{\in}T\}$$, where $$A_s=\{u{\in}P(n,l):u(j)=0\;for\;all\;j{\in}T\;and\;u(s)=0\}$$ and $$q_i{\in}P(n,l)\;with\;q_i(j)=0\;fo\;all\;j{\in}[l]{\backslash}\{i\}\;and\;q_i(i)=n$$.

Preparation of methylammonium lead halide perovskite thin films by dual feed ultrasonic spray method (이중주입 초음파분무법에 의한 메틸암모늄 할로젠화 납 페로브스카이트 박막의 제조)

  • Kim, Rock Yoon;Kim, Tae Huei;Park, Kyung Bong
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.29 no.1
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    • pp.6-11
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    • 2019
  • Methylammonium lead halide ($MAPbX_3$, X = I, Br) thin films, used as the light absorber of perovskite solar cells, were prepared using the dual feed ultrasonic spray method. Going through a deposition at a substrate temperature of below $60^{\circ}C$ and then a final heat treatment at $75^{\circ}C$ for 5 minutes using dual feed ultrasonic spray method, $MAPbI_3$ single phase could be formed. Whereas undergoing a deposition at temperatures above $80^{\circ}C$, the spheroidal grains could be changed into rod-shaped fractal structures due to the decomposition of the perovskite phase. Furthermore, using the same method at a higher heat treatment temperature of $100^{\circ}C$, $MAPbI_{3-x}Br_x$ thin films could also be formed from $MAPbI_3$ and $MAPbIBr_2$ solution.

Trajectory Studies of Methyl Radical Reaction with Iodine Molecule

  • Lee, Sang-Kwon;Ree, Jong-Baik;Kim, Yoo-Hang;Shin, Hyung-Kyu
    • Bulletin of the Korean Chemical Society
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    • v.26 no.9
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    • pp.1369-1380
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    • 2005
  • The reaction of methyl radical with iodine molecule on an attractive potential energy surface is studied by classical trajectory procedures. The reaction occurs over a wide range of impact parameters with the majority of reactive events occurring in the backward rebound region on a subpicosecond scale. A small fraction of reactive events take place in the forward hemisphere on a longer time scale. The ensemble average of reaction times is 0.36 ps. The occurrence of reactive events is strongly favored when the incident radical and the target molecule align in the neighborhood of collinear geometry. Since the rotational velocity of I2 is slow, the preferential occurrence of reactive events at the collinear configuration of $CH_3{\ldots}I{\ldots}$I leads to the reaction exhibiting an anisotropic dependence on the orientation of $I_2$. During the collision, there is a rapid flow of energy from the $H_3C{\ldots}$I interaction to the I-I bond. The $CH_3I$ translation and $H_3C$-I vibration share nearly all the energy released in the reaction, and the distribution of the vibrational energy is statistical. The reaction probability is $\cong$0.4 at the $CH_3$ and I2 temperatures maintained at 1000 K and 300 K, respectively. The probability is weakly dependent on the $CH_3\;and\;I_2$ temperatures between 300 K and 1500 K.