• Title/Summary/Keyword: Model compound

Search Result 870, Processing Time 0.026 seconds

A STUDY ON DIMENSIONAL STABILITY OF THE RUBBER IMPRESSION MATERIALS FOLLOWING IMMERSION WITH CHEMICAL DISINFECTANTS (수종의 화학소독제에 침적시킨 고무인상체의 크기안정성에 관한 연구)

  • Kim, Hyung-Sik;Kim, Chang-Whe
    • The Journal of Korean Academy of Prosthodontics
    • /
    • v.27 no.2
    • /
    • pp.249-259
    • /
    • 1989
  • Dental impression materials often become contaminated with patients' saliva and blood which creates the potential for cross-infection. It was the purpose of this study to investigate the effects of disinfection of three different rubber impression materials with four different disinfecting solutions. Polysulfide, vinyl polysiloxane and polyether impression materials were mixed according to the manufacturer's directions and samples were formed on a stainless steel model. On removal from the standard model, impressions were immersed in a disinfectant (acid-potentiated glutaraldehyde, phenollic compound, chlorine compound, iodophor) at room tempera tures for ten minutes. After disinfection, the distance between reference points(linear dimension) was measured using the non-contact automatic cordinate measuring projector(MZ-1, Nikon). Through statistical analyses on the data from this study,. the following conclusions were obtained. 1. Polysulfide, vinyl polysiloxane impressions were disinfected without dimensional change.(p>0.05) 2. Polyether impressions which were immersed in acid-potentiated glutaraldehyde were statistically different from control group.(p<0.05) But the amount of shrinkage(0.04%) would not be clinically significant. 3. By immersion of polysulfide, vinyl polysiloxane, polyether impressions in Banicide, Biocide, Multicide plus, sodium hypochlorite for ten minutes, clinically accurate impressions were obtained without dimensional change.

  • PDF

The Effect of the Molecular Weight of Poly(ethylene glycol) on Diffusion through Cellulose (폴리에틸렌글리콜의 분자량에 따른 셀룰로스에서의 확산 거동)

  • 윤기종;우종형;서영삼
    • Textile Coloration and Finishing
    • /
    • v.16 no.1
    • /
    • pp.48-52
    • /
    • 2004
  • Diffusion/penetration rates of finishing agents are not a major criterion in the design of low molecular weight finishing agents. However, in the case of polymeric finishing agents, high molecular weights result in large hydrodynamic volumes and diffusion/penetration of the finishing agent into the substrate may become a critical factor in the design of textile finishing agents. Thus the effect of the molecular weight of a model compound, polyethylene glycol, on its diffusion through a cellulose membrane or cotton fabric is studied. Diffusion experiments of polyethylene glycol of molecular weight 400, 1000, 2000, 4600, 8000, and 10000 through cellulose membrane or fabric was carried out in a glass U-tube diffusion apparatus and the half penetration times and the penetration coefficients were determined. Both the half penetration times and the penetration coefficients exhibited a significant change between molecular weight 2000 and 2500 as the molecular weight of polyethylene glycol increased, suggesting that there is a critical molecular weight above which diffusion/penetration becomes difficult. Based on this study on a model compound, it is suggested that polymeric textile finishing agents can be expected to exhibit similar behavior.

Ring Flipping of Seven-membered and Eight-membered Dithienodisila-heterocycles

  • Lee, In-Sook;Kwak, Young-Woo;Ghosh, Manikkumer;Ohshita, Joji;Choi, Cheol-Ho
    • Bulletin of the Korean Chemical Society
    • /
    • v.29 no.2
    • /
    • pp.377-380
    • /
    • 2008
  • Ground state structures and ring flipping transition states of eight- and seven-membered silicon containing heterocyclic compounds such as dithienodisilacyclooctatriene and oxadithienodisilacycloheptadiene derivatives, respectively have theoretically been investigated. Although the bithienylene moiety of the derivatives does not change the ground state structures, they significantly increase the ring flipping barrier by 13-17 kcal/mol in the case of the eight-membered rings (2, 3, and 4) in comparison with that of silicon containing heterocyclic compound 6, chosen as a model. The same moiety increases the flipping barrier of seven-membered ring (5) is only slightly (3.3 kcal/mol) in comparison with that of model compound 7. Hence, it has been concluded that not only the existing ring strain of eight-membered ring but also the bithienylene moiety collectively increases the ring flipping barrier so as to prevent such conformational changes explaining anomalous NMR behaviour of dithienodisilacyclooctatriene derivatives (2-4). In contrast, the effect of substituents R1 and R2 at the olefinic carbons of the eight-membered ring on the flipping barrier turned out to be mild.

Hologram Quantitative Structure-Activity Relationships Study of N-Phenyl-N'-{4-(4-quinolyloxy)phenyl} Urea Derivatives as VEGFR-2 Tyrosine Kinase Inhibitors

  • Keretsu, Seketoulie;Balasubramanian, Pavithra K.;Bhujbal, Swapnil P.;Cho, Seung Joo
    • Journal of Integrative Natural Science
    • /
    • v.10 no.3
    • /
    • pp.141-147
    • /
    • 2017
  • Vascular endothelial growth factor (VEGF) is an important signaling protein involved in angiogenesis, which is the formation of new blood vessels from pre-existing vessels. Consequently, blocking of the vascular endothelial growth factor receptor (VEGFR-2) by small molecule inhibitors leads to the inhibition of cancer induced angiogenesis. In this study, we performed a two dimensional quantitative structure activity relationship (2D-QSAR) study of 38 N-Phenyl-N'-{4-(4-quinolyloxy) phenyl} urea derivatives as VEGFR-2 inhibitors based on hologram quantitative structure-activity (HQSAR). The model developed showed reasonable $q^2=0.521$ and $r^2=0.932$ values indicating good predictive ability and reliability. The atomic contribution map analysis of most active compound (compound 7) indicates that hydrogen and oxygen atoms in the side chain of ring A and oxygen atom in side chain of ring C contributes positively to the activity of the compounds. The HQSAR model developed and the atomic contribution map can serve as a guideline in designing new compounds for VEGFR-2 inhibition.

Antioxidant Activity from the Stem Bark of Albizzia julibrissin

  • Jung, Mee-Jung;Chung, Hae-Young;Kang, Sam-Sik;Choi, Jin-Ho;Bae, Kae-sun;Choi, Jae-Sue
    • Archives of Pharmacal Research
    • /
    • v.26 no.6
    • /
    • pp.458-462
    • /
    • 2003
  • The antioxidant activity of the stem bark from Albizzia julibrissin was evaluated for its potential to scavenge 1,1-diphenyl-2-picrylhydrazyl (DPPH) radicals, to inhibit the generation of the hydroxyl radical ($\cdot OH$), total reactive oxygen species (ROS) and to scavenge authentic peroxynitrites ($ONOO^{-}$). The methanol extract of A. julibrissin exhibited strong antioxidant activity in the tested model systems. Therefore, it was further fractionated using several solvents. The antioxidant activity of the individual fractions were in the order of ethyl acetate (EtOAc) > n-butanol (n-BuOH) > dichloromethane ($CH_2 CI-2$) > and water ($H_2O$). The ethyl acetate soluble fraction, which exhibited strong antioxidant activity, was further purified by repeated silicagel, Sephadex LH-20 and RP-18 gel column chromatography. Sulfuretin (1) and 3 ,4 ,7-trihydroxyflavone (2) were isolated as the active principles. Compounds 1 and 2 exhibited good activity in all tested model systems. Compound 1 exhibited five times more inhibitory activity on the total ROS than Trolox. Compound 2 showed six times stronger DPPH radical scavenging activity than L-ascorbic acid. These results show the possible antioxidant activity of the A. julibrissin crude extract and its major constituents.

Effect of Sodium Taurodeoxycholate on Biliary Excretion of Amaranth as an Anionic Model Drug in Rats (음이온 모델 화합물 아마란스의 담즙배설에 미치는 타우로데옥시콜레이트의 영향)

  • Shim, Chang-Koo;Chung, Suk-Jae
    • Journal of Pharmaceutical Investigation
    • /
    • v.16 no.3
    • /
    • pp.110-117
    • /
    • 1986
  • Plasma disappearance of amaranth (AM), a model compound of organic anionic drugs, was retarded by intravenous infusion of taurodeoxycholate (TDC), a representative bile acid, in the rat. Biliary excretion accounted for 30-60% of the systemic excretion of AM. AM seemed to be metabolised in the hepatocyte to form a compound that is excreted more rapidly into the bile than AM itself, considering apparent biliary clearance, $CL_{bil}$, is much larger than systemic clearance, $CL_s$. Decrease in $CL_{bil}$ by TDC infusion might be due to elevated plasma level rather than decreased biliary excretion of AM. Decreased distribution or urinary excretion of AM by TDC was supposed to be one of the probable reasons of elevated plasma level. Competitive inhibition between AM and TDC on tissue distribution and urinary excretion might explain the mechanism. The effect of TDC on the $CL_{bil}$ of methylene blue, a cationic dye, was quite different from that of AM, as reported previously by us. More intensive study would be necessary to elucidate the difference of biliary excretion between organic anions and cations.

  • PDF

3D-QSAR, Docking and Molecular Dynamics Simulation Study of C-Glycosylflavones as GSK-3β Inhibitors

  • Ghosh, Suparna;Keretsu, Seketoulie;Cho, Seung Joo
    • Journal of Integrative Natural Science
    • /
    • v.13 no.4
    • /
    • pp.170-180
    • /
    • 2020
  • Abnormal regulation, hyperphosphorylation, and aggregation of the tau protein are the hallmark of several types of dementia, including Alzheimer's Disease. Increased activity of Glycogen Synthase Kinase-3β (GSK-3β) in the Central Nervous System (CNS), increased the tau hyperphosphorylation and caused the neurofibrillary tangles (NFTs) formation in the brain cells. Over the last two decades, numerous adenosine triphosphate (ATP) competitive inhibitors have been discovered that show inhibitory activity against GSK-3β. But these compounds exhibited off-target effects which motivated researchers to find new GSK-3β inhibitors. In the present study, we have collected the dataset of 31 C-Glycosylflavones derivatives that showed inhibitory activity against GSK-3β. Among the dataset, the most active compound was docked with the GSK-3β and molecular dynamics (MD) simulation was performed for 50 ns. Based on the 50 ns MD pose of the most active compound, the other dataset compounds were sketched, minimized, and aligned. The 3D-QSAR based Comparative Molecular Field Analysis (CoMFA) model was developed, which showed a reasonable value of q2=0.664 and r2=0.920. The contour maps generated based on the CoMFA model elaborated on the favorable substitutions at the R2 position. This study could assist in the future development of new GSK-3β inhibitors.

Effects of exogenous enzymes from invertebrate gut-associated bacteria on volatile organic compound emissions and microbiota in an in vitro pig intestine continuous fermentation model

  • Jong-Hoon Kim;Ho-Yong Park;Kwang-Hee Son
    • International Journal of Industrial Entomology and Biomaterials
    • /
    • v.48 no.2
    • /
    • pp.67-77
    • /
    • 2024
  • This study aims to assess the efficacies of exogenous enzymes, derived from invertebrate gut-associated microbes, as feed additives, in reducing volatile organic compound (VOC) emissions using an in vitro pig intestine continuous fermentation system. An in vitro continuous fermentation model was used to simulate a comparable bionic digestion system by co-reacting feed, enzymatic additives (arazyme, mannanase, and xylanase, derived from the gut bacteria of Nephila clavata, Eisenia fetida, and Moechotypa diphysis, respectively), and gastrointestinal microbes, followed by an analysis of their correlations. A significant correlation was observed between exogenous enzyme supplementation and reduced VOC emissions in the fecal phase of continuous fermentation (p < 0.05). The concentration of VOCs decreased by 3.75 and 2.75 ppm in the treatment group following arazyme and multi-enzyme supplementation, respectively, compared to that in the control group (7.83 ppm). In addition, supplementation with arazyme and multiple enzymes significantly affected the microbial composition of each fermentation phase (p < 0.05). In particular, Lactiplantibacillus pentosus and Pediococcus pentosaceus, which changed in abundance according to arazyme or multi-enzyme supplementation, exhibited a positive relationship with VOC emissions. These results suggest that exogenous enzymes derived from invertebrate gut-associated bacteria can be efficiently applied as feed additives, leading to a reduction in VOC emissions.

Synthesis and Cyclization of Aromatic Polyhydroxyamides Containing Trifluoromethyl Groups

  • Baik, Doo-Hyun;Kim, Hae-Young;Simon W. Kantor
    • Fibers and Polymers
    • /
    • v.3 no.3
    • /
    • pp.91-96
    • /
    • 2002
  • Polyhydroxyamides derivatized with trifluorormethyl ether and trifluoromethyl ester groups were investigated as possible candidates for a new flame retardant polymer. Model compounds for these derivatized polyhydroxyamides were synthesized and their cyclization chemistry was investigated. The model compound study revealed that trifluorornethyl ester group containing model compounds can cyclize on heating, while trifluoromethyl ether group containing model compounds cannot. The non-fluorinated ether and ether derivatives behaved similarly. The trifluoromethyl ester derivatized polyhydroxyamides were synthesized according to the procedures for the model compounds. TGA characterization revealed that the fluorinated polymers have nearly same thermal stability as the underivatized PHA after cyclization.

Neutron Cross Section Evaluation on Mo-95, Tc-99, Ru-101 and Rh-1()3 in the Fast Energy Region

  • Lee, Y. D.;J. H. Chang
    • Nuclear Engineering and Technology
    • /
    • v.34 no.6
    • /
    • pp.533-544
    • /
    • 2002
  • The neutron induced nuclear data for Mo-95, Tc-99, Ru-101 and Rh-103 was calculated and evaluated in the fast energy region. The energy dependent optical model potential parameters were extracted based on the recent experimental data and applied up to 20 MeV. The s-wave strength function was calculated from the parameters. Spherical optical model, statistical model in equilibrium energy, multistep direct and multistep compound model in pre-equilibrium energy and direct capture model were used in the calculation. The theoretically calculated cross sections were compared with the experimental data and the evaluated files The model- calculated total and capture cross sections were in good agreement with the reference experimental data. The direct capture contribution improved the capture cross sections in pre- equilibrium region. The evaluated cross section results were compiled to ENDF-6 format and will improve the ENDF/B-Vl.