• Title/Summary/Keyword: Double bond

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Zeolite-catalyzed Isomerization of 1-Hexene to trans-2-Hexene: An ONIOM Study

  • Li, Yan-Feng;Zhu, Ji-Qin;Liu, Hui;He, Peng;Wang, Peng;Tian, Hui-Ping
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.1851-1858
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    • 2011
  • Details of the double-bond isomerization of 1-hexene over H-ZSM-5 were clarified using density functional theory. It is found that the reaction proceeds by a mechanism which involves the Br${\o}$nsted acid part of the zeolite solely. According to this mechanism, 1-hexene is first physically adsorbed on the acidic site, and then, the acidic proton transfers to one carbon atom of the double bond, while the other carbon atom of the double bond bonds with the Br${\o}$nsted host oxygen, yielding a stable alkoxy intermediate. Thereafter, the Br${\o}$nsted host oxygen abstracts a hydrogen atom from the $C_6H_{13}$ fragment and the C-O bond is broken, restoring the acidic site and yielding trans-2-hexene. The calculated activation barrier is 12.65 kcal/mol, which is in good agreement with the experimental value. These results well explain the energetic aspects during the course of double-bond isomerization and extend the understanding of the nature of the zeolite active sites.

A new reinforcing steel model with bond-slip

  • Kwak, H.G.;Filippou, F.C.
    • Structural Engineering and Mechanics
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    • v.3 no.4
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    • pp.299-312
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    • 1995
  • A new reinforcing steel model which is embedded inside a concrete element and also accounts for the effect of bond-slip is developed. Unlike the classical bond-link or bond-zone element using double nodes, the proposed model is considering the bond-slip effect without taking double nodes by incorporation of the equivalent steel stiffness. After calculation of nodal displacements, the deformation of steel at each node can be found through the back-substitution technique from the first to the final steel element using a governing equation constructed based on the equilibrium at each node of steel and the compatibility condition between steel and concrete. This model results in significant savings in the number of nodes needed to account for the effect of bond-slip, in particular, when the model is used for three dimensional finite element problems. Moreover a new nonlinear solution scheme is developed in connection with this model. Finally, correlation studies between analytical and experimental results and several parameter studies are conducted with the objective to establish the validity of the proposed model.

Experimental Study by Single and Double Face Shear Test of Bond Ability between Carbon Fiber Reinforced Plate and Concrete. (1면과 2면 인장전단 실험 방법에 따른 부착성능에 관한 실험적 연구)

  • Kang Dae Eon;Woo Hyun Su;Choi Ki Sun;Yang Won Jik;You Young Chan;Yi Waon Ho
    • Proceedings of the Korea Concrete Institute Conference
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    • 2005.05a
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    • pp.315-318
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    • 2005
  • The objective of this study is to find out discrepancy in ability of bond behavior between Carbon fiber-reinforced polymer(CFRP Plate) and concrete by method of experiment. For the objective, single and double face shear test were tested. From the experimental results, it was analyzed bond strength of FRP to concrete, distribution of stress and strain of FRP. The bond strength and the effective bond length was evaluated by the theory of existing studies. Effective bond length of single face test was smaller than it of double face test.

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Identification of the Polyacetylenes extracted from Acanthopanax Senticosus by Petroleum Ether (가시오가피(Acanthopanax senticosus)의 석유에테르 추출물 중 polyacetylene계 물질의 동정)

  • Yang, Hyo-Jin;Kim, Eun-Mi;Chang, Kyu-Seob
    • Korean Journal of Agricultural Science
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    • v.35 no.1
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    • pp.11-17
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    • 2008
  • This study was conducted to isolate polyacetylenes from the Acanthopanax senticosus and to identify the chemical structure of the polyacetylenes by UV, IR, $^1H$-NMR and $^{13}C$-NMR. One of the liposoluble materials was extracted with petroleum ether. Polyacetylene compounds were collected through solvent fractionation at silica gel column chromatograph. The HPLC was used for the semi-preparative separation IR spectra of fraction 5 showed triple bonds at $2256cm^{-1}$ and double bond at $1654cm^{-1}$, respectively, $^1H$-NMR spectra of Fraction 5 showed the double bond at 5.35-5.48 ppm. Triple bond at 64.0. 71.2, 74.2, 80.2 ppm and double bond at 121.89, 133.0 ppm were observed in the $^{13}C$-NMR spectra.

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Investigation of Acyl Chain Specificity of Lipase-OF 360,000 on the Hydrolysis of Fish Oil (물고기 기름의 가수분해에 대한 리파제 Lipase-OF 360,000의 아실체인 특이성 규명)

  • Park Ji-suk;Kim Han-Ok;Kho Hye-won;Hur Byung-Ki
    • KSBB Journal
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    • v.19 no.6 s.89
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    • pp.489-493
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    • 2004
  • The hydrolysis characteristics of various fatty acids composing the fish oil was investigated for function of acyl chain specificities using Lipase-OF 360,000 from Candida cylindracea. The hydrolysis of fatty acids decreased with the increase of the number of carbon and double bond in the fatty acids, in case that the number of double bond and the position of the first double bond from the methyl group of fatty acids were the same. The position of the first double bond was found to be an acyl chain specificity of Lipase-OF 360,000 for the hydrolysis of fish oil. Lipase-OF 360,000 also showed the another acyl chain specificity that the increase of double bond of fatty acids, having the same number of carbon and the position of double bond, brought about the decrease of hydrolysis.

Identification of Fatty Acids in the Oils of Pine Nuts by GC-MS of Their Picolinyl Esters and 4,4-dimethyloxazoline Derivatives in Combination with Silver-Ion Chromatography

  • Kim, Seong-Jin;Woo, Hyo-Kyeng;Seo, Min-Young;Joh, Yong-Goe
    • Journal of the Korean Applied Science and Technology
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    • v.19 no.3
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    • pp.222-244
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    • 2002
  • A mixture of methyl ester derivatives of fatty acids from the oils of pine nuts was well resolved to five fractions differing by degree of unsaturation by silver ion solid-phase extraction column chromatography ($Ag^{+}$-SEC). Polyunsaturated fatty acid with non-methylene interrupted conjugated double bond (NMiDB) radical held more strongly to silver ions in the column than methylene interrupted conjugated double bond (MiDB) one when they had the same number of double bonds. Although both the picolinyl ester and DMOX derivative provided clear mass ion species powerful enough to elucidate the structure of the polyunsaturated fatty acid (PUFA) with NMiDB and/or methylene interrupted conjugated double bond (MiDB) radical in the oils, the picolinyl ester of PUFA with NMiDB radical did not provide a cluster of mass ions neighboring diagnostic mass ions induced by the double bond in the proximal to the carboxyl group. However, the DMOX derivative of PUFA with NMiDB group as well as MiDB showed abundant mass ion species differing by gaps of 12 amu, which made it possible with greater ease to locate the double bonds in the molecule. The oil contained $C_{18:2{\omega}6}$ (46.2 %) and $C_{18:1{\omega}9}$ (25.4 %) as main components, and considerable amounts of PUFAs with NMiDB radical such as ${\Delta}^{5.\;9.\;12}-C_{18:3}$ (16.0 %), ${\Delta}^{5.\;9}-C_{18:2}$ (2.3 %) and ${\Delta}^{5.\;11.\;14}-C_{20:3}$ (0.8 %).

Bond behaviour at concrete-concrete interface with quantitative roughness tooth

  • Ayinde, Olawale O.;Wu, Erjun;Zhou, Guangdong
    • Advances in concrete construction
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    • v.13 no.3
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    • pp.265-279
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    • 2022
  • The roughness of substrate concrete interfaces before new concrete placement has a major effect on the interface bond behaviour. However, there are challenges associated with the consistency of the final roughness interface prepared using conventional roughness preparation methods which influences the interface bond performance. In this study, five quantitative interface roughness textures with different roughness tooth angles, depths, and tooth distribution were created to ensure consistency of interface roughness and to evaluate the bond behaviour at a precast and new concrete interface using the splitting tensile test, slant shear test, and double-shear test. In addition, smooth interface specimens and two separate the pitting interface roughness were also utilized. Obtained results indicate that the quantitative roughness has a very limited effect on the interface tensile bond strength if no extra micro-roughness or bonding agent is added at the interface. The roughness method however causes enhanced shear bond strength at the interface. Increased tooth depth improved both the tensile and shear bond strength of the interfaces, while the tooth distribution mainly influenced the shear bond strength. Major failure modes of the test specimens include interface failure, splitting cracks, and sliding failure, and are influenced by the tooth depth and tooth distribution. Furthermore, the interface properties were obtained and presented while a comparison between the different testing methods, in terms of bond strength, was performed.

Biogas Production Performance Based on Carbon Number and Double Bond Count of Long-chain Fatty Acids

  • Kim, Soo-Ah;Kim, Sang-Hun
    • Journal of Biosystems Engineering
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    • v.43 no.1
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    • pp.37-44
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    • 2018
  • Purpose: The objective of this study was to investigate the high-efficiency anaerobic digestion of organic wastes with high fat content. Specifically, the analysis focused on biogas production performance with a focus on carbon number and the double bond count of the long-chain fatty acids (LCFAs), which are hydrolysis products of triglycerides. Methods: Experiments were performed under mesophilic anaerobic conditions with a feed-to-microorganism ratio (F/M) of 1.0. Biogas production performance was analyzed through biogas production patterns, lag-phase, and the time required for 90% biogas production (T90). Results: Biogas production increased when the content of unsaturated LCFAs (containing relatively large numbers of carbon atoms) increased. In substrate containing LCFAs with four or more double bonds, although the initial lag-phase in biogas production was shortened, development of a three-step lag-phase resulted in decreased biogas production. These results suggest that high rates of anaerobic digestion are possible when the LCFAs have high unsaturated fatty acid content with three or fewer double bonds. Conclusions: When various types of LCFAs are digested anaerobically, biogas production performance can be improved if the unsaturated fatty acid content and number of double bonds are optimized for maximum production.

Whole-cell Biotransformation of Chlorella Oil Hydrolysates into Medium Chain Fatty Acids

  • Seo, Joo-Hyun;Min, Won-Ki;Lee, Jung-Hoo;Lee, Sun-Mee;Lee, Choul-Gyun;Park, Jin-Byung
    • Journal of Marine Bioscience and Biotechnology
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    • v.10 no.2
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    • pp.44-52
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    • 2018
  • A synthetic pathway, which consisted of fatty acid double bond hydratase, alcohol dehydrogenase, and Baeyer-Villiger monooxygenase, was applied to Chlorella oil to produce ester fatty acids, which can be hydrolyzed into medium chain fatty acids. Since linoleic acid is a major fatty acid constituent of Chlorella oil, a fatty acid double bond hydratase from Lactobacillus acidophilus NBRC13951, which is able to convert linoleic acid into 13-hydroxyoctadec-9-enoic acid, was used. Recombinant Escherichia coli expressing the fatty acid double bond hydratase from L. acidophilus NBRC13951 successfully transformed linoleic acid in Chlorella oil hydrolysates into 13-hydroxyoctadec-9-enoic acid with approximately 60% conversion yield. 13-Hydroxyoctadec-9-enoic acid was further converted into ester fatty acids by the recombinant E. coli expressing a long chain secondary alcohol dehydrogenase and a Baeyer-Villiger monooxygenase. The resulting ester fatty acids were then hydrolyzed into medium chain fatty acids by a lipase. Overall, industrially relevant medium chain fatty acids were produced from Chlorella oil hydrolysates. Thereby, this study may contribute to biosynthesis of medium chain fatty acids from microalgae oils as well as long chain fatty acids.