• Title/Summary/Keyword: Chemical nature

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Improving Light Stability of Natural Rubber Latex Foam

  • Shim, Chang Su;Oh, Jeong Seok;Hong, Chang Kook
    • Elastomers and Composites
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    • v.50 no.2
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    • pp.81-86
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    • 2015
  • In this study, natural rubber latex foam was prepared in order to replace commercialized polyurethane foams as a car seat material. Physical properties of the latex foam were investigated and the light stability was improved. The latex foam was mixed in an aqueous solution state, and the degree of foaming and the accelerator ratios were appropriately controlled. Tensile properties, hysteresis and dynamic mechanical properties of the latex foam were measured to compare with those of polyurethane foams. UV light absorbers and radical scavengers were added for improving light stability of the latex foam. Xenon lamp test was conducted to investigate the effects of the reagents on light stability. Our results revealed that the prepared latex foam including a light absorber with an antioxidant showed excellent light stable performances.

Metalloporphyrin-Catalyzed Chemoselective Oxidation of Sulfides with Polyvinylpyrrolidone-Supported Hydrogen Peroxide: Simple Catalytic System for Selective Oxidation of Sulfides to Sulfoxides

  • Zakavi, Saeed;Abasi, Azam;Pourali, Ali Reza;Talebzadeh, Sadegh
    • Bulletin of the Korean Chemical Society
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    • v.33 no.1
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    • pp.35-38
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    • 2012
  • Room temperature oxidation of organic sulfides with polyvinylpyrrolidone-supported hydrogen peroxide (PVP-$H_2O_2$) in the presence of Mn(III) complexes of meso-tetraphenylporphyrin, Mn(TPP)X (X = OCN, SCN, OAc, Cl) and imidazole (ImH) leads to the highly chemoselective (ca. 90%) oxidation of sulfides to the corresponding sulfoxide. The efficiency of reaction has been shown to be influenced by different reaction parameters such as the nature of counterion (X) and solvent as well as the molar ratio of reactants. Using Mn(TPP)OCN and ImH in 1:15 molar ratio and acetone as the solvent leads to the efficient oxidation of different sulfides.

Correlation of the Rates of Solvolysis of t-Butyl Fluoroformate Using the Extended Grunwald-Winstein Equation

  • Lee, Yong-Woo;Seong, Mi-Hye;Kyong, Jin Burm;Kevill, Dennis N.
    • Bulletin of the Korean Chemical Society
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    • v.31 no.11
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    • pp.3366-3370
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    • 2010
  • The specific rates of solvolysis of t-butyl fluoroformate (1) have been measured at $40.0^{\circ}C$ in 21 pure and binary solvents. These give a satisfactory correlation over the full range of solvents when the extended Grunwald-Winstein equation, with incorporation of the solvent nucleophilicity and the solvent ionizing power, is applied. The actual values are very similar to those obtained in earlier studies of the solvolyses of isopropyl chloroformate and ethyl chlorothioformate in the more ionizing and least nucleophilic solvents, which are believed to proceed by an ionization pathway. The small negative values for the entropies of activation are consistent with the ionization nature of the proposed rate-determining step. These observations are also compared with those previously reported for the corresponding primary and secondary alkyl haloformate esters.

A Theoretical Study on the Reaction of Phosphadioxiranes and Thiadioxiranes;Disproportionation versus Epoxidation

  • Nahm, Keep-Yung
    • Bulletin of the Korean Chemical Society
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    • v.30 no.10
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    • pp.2217-2222
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    • 2009
  • The transition structures for the epoxidations of ethylene and the disproportionations by the dioxiranes of phosphines, phosphites and sulfides were studied with density function theory methods using the Becke3LYP functional and 6-311+G(2d,p) basis set. When the dioxiranes have methyl substituents rather than hydrogen substituents, the reaction barriers ($E_{TS}$) become higher in their epoxidations of ethylene by the steric hindrance, but become lower in their disproportionations of phosphines, phosphites and sulfides, which indicates that the nature of the dioxiranes seems to be electrophilic and in their disproportionations the reaction barriers are effected both by the electrophilicity and the steric hindrance. The steric factors in the disproportionations were calculated and more bulky substituents at dioxiranes may be necessary to retard the disproportionation and to enhance the epoxidation.

Effect of Substituents on the Formation of 2-Substituted Phenyl-5-phenyltetrazole (2-Substituted Phenyl-5-phenyltetrazole 生成에 있어서의 置換基의 影響에 關하여)

  • Hong, Soon-Yong
    • Journal of the Korean Chemical Society
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    • v.11 no.4
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    • pp.170-172
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    • 1967
  • 2-Phenyl-5-substituted phenyltetrazole and 2-substituted phenyl-5-phenyltetrazole were prepared from the corresponding hydrazone and phenyl azide with 2-methoxyethanol and metallic sodium as reaction medium at 110~115 $^{\circ}C$. At this reaction condition, however, the preparation of 2-substituted phenyl-5-phenyltetrazoles with substituents of relatively high Hammett substituent constant was unsuccessful. Surprisingly it was found that the solvent molecule was exchanged with substituent during the reaction when tried to obtain 2-m-fluorophenyl-5-phenyltetrazole using benzaldehyde m-fluorophenylhydrazone as starting material. Also disscussed the effect of electronic nature of substituents on the formation of 2,5-diphenyltetrazole derivatives.

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Quantitative Structure-Activity Relationships and Molecular Docking Studies of P56 LCK Inhibitors

  • Bharatham, Nagakumar;Bharatham, Kavitha;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.27 no.2
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    • pp.266-272
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    • 2006
  • Three-dimensional quantitative structure-activity relationship (3D-QSAR) models were developed for 67 molecules of 2-amino-benzothiazole-6-anilide derivatives against lymphocyte-specific protein tyrosine kinase (P56 LCK). The molecular field analysis (MFA) and receptor surface analysis (RSA) were employed for QSAR studies and the predictive ability of the model was validated by 15 test set molecules. Structure-based investigations using molecular docking simulation were performed with the crystal structure of P56 LCK. Good correlation between predicted fitness scores versus observed activities was demonstrated. The results suggested that the nature of substitutions at the 2-amino and 6-anilide positions were crucial in enhancing the activity, thereby providing new guidelines for the design of novel P56 LCK inhibitors.

Novel Syntheses of Symmetric Alkyl-substituted β-Diketimines with Dimethylsulfate Assisted by Microwave

  • Yoon, Saetbyeol;Lee, Byoungki;Lee, EungJoon;Lee, Ik Mo
    • Bulletin of the Korean Chemical Society
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    • v.34 no.10
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    • pp.2871-2876
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    • 2013
  • We present an efficient and new preparative method for the symmetric ${\beta}$-diketimines assisted by microwave. A series of N,N'-symmetrically alkyl substituted ${\beta}$-diketimines have been synthesized from the reaction of O-acylation with dimethylsulfate. Higher reproducibility and yield, lower cost and much improved green nature originated from no solvent condition and higher energy efficiency due to faster reaction time are major merits of this new method. In addition to these merits, almost every kind of ${\beta}$-diketimines including alkyl-substituted ${\beta}$-diketimines little reported yet has been successfully prepared. Much wider applications of these compounds in various fields are expected.

MEMBRANE FORLING MECHANIMS IN MEMBRANE-COUPLES ANAEROBIC BIOREACTOR

  • Choo, Kwang-Ho;Lee, Chung-Hak
    • Proceedings of the Membrane Society of Korea Conference
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    • 1993.04a
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    • pp.41-41
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    • 1993
  • Recently, the advanced membrane separation technology has even been applied to the post treatment to biological process of wastewater treatment, since the efficiency of biological treatment significantly depends on maintaining a high biomass concentration in the bioreator. Particularly, anaerobic microbes in the biological system have slower growth rates than aerobic microbes and thus it takes a long hydaulic retention time(HRT) to prevent biomass washout in the completely mixed anaerobic digester. The anaerobic sludge also has poor settleability owing to its diffusible and somewhat filamentous nature. Moreover, the residual gasification and consequent sludge rise in the clarifier compartment become a considerable problem, which proves that complete separation of biological solids is difficult.

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Calculations of Polarizabilities by Integral Hellmann-Feynman Theorem (Integral Hellmann-Feynman Theorem에 의한 Polarizability의 평가)

  • Kim, Ho-Jing;Cho, Ung-In
    • Journal of the Korean Chemical Society
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    • v.14 no.1
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    • pp.127-131
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    • 1970
  • The variational approach for the direct evaluation of the energy difference ${\Delta}$E is studied. The method is based on the differential equation corresponding to the integral Hellmann-Feynman formula. The ${\Delta}$E is given by the expectation value of the Hermitian operator which does not involve the 1/$r_{ij}$ term. Because of its variational nature of the method, the coupling problem of the differential equations which are encountered in perturbation treatment does not occur. The method is applied to the evaluation of the electric polarizabilities of the Helium isoelectronic series atoms. The result is in good agreement with the experiment. The method is compared with the recent works of Karplus et al.

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Computational Study of Hydrogen Bonding in Phenol-acetonitrile-water Clusters

  • Ahn, Doo-Sik;Lee, Sung-Yul;Cheong, Won-Jo
    • Bulletin of the Korean Chemical Society
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    • v.25 no.8
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    • pp.1161-1164
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    • 2004
  • Calculations are presented for phenol ?acetonitrile - $(water)_n$ (n = 1-3) clusters. We examine the nature of interactions in the mixed clusters by calculating and comparing the structures, relative energies and harmonic frequencies of isomers with different type of hydrogen bonding. The conformers exhibit quite different patterns in the shifts of the CN and OH stretching frequencies, depending on the type of hydrogen bonding. Cyclic hydrogen bonding among the water molecule(s), acetonitrile and phenolic OH proves very important in determining the relative stability. It is also shown that acetonitrile tends to bind to the OH group of phenol in low energy conformers.