• Title/Summary/Keyword: Chemical Change

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Electrical Properties of Ag-coated Conductive Yarns Depending on Physical and Chemical Conditions (물리화학적 조건에 따른 은코팅 전도사의 전기적 특성)

  • Ryu, Jong-Woo;Jee, Young-Joo;Kim, Hong-Jae;Kwon, Seo-Yoon;Yoon, Nam-Sik
    • Textile Coloration and Finishing
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    • v.23 no.1
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    • pp.43-50
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    • 2011
  • Electrically conductive yarn coated with silver particles are widely used to make smart wear but recent studies on smart fabrics are focused on measuring method of electrical characteristics and improving technologies of its electric properties. Also durability of conductive yarn with environmental change was also important work to make smart fabric. We compared resistance changes of silver coated conductive yarns under various physical and chemical conditions such as repeated strain, heat exposure and pH for basic informations on smart wear manufacturing process. And we deduct that repeated strain among the physical conditions was most effective factors on yarn resistance change and the low resistance change was observed with increasing the number of filaments in identical yarn fineness.

Phase Transition Characteristics in $Ge_xSb_{100-x}$ Film for Optical Storage Media

  • Park Tae-jin;Kang Myung-jin;Choi Se-young
    • 정보저장시스템학회:학술대회논문집
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    • 2005.10a
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    • pp.124-127
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    • 2005
  • Rewritable optical memory devices such as an CD-RW and DVD+RW are data storage media, which take advantage of the different optical properties in the amorphous and crystalline states of phase change materials. The switching property, structural transformation, transformation kinetics and chemical bindings of $Ge_xSb_{100-x}$($6{\le}x{\le}$34) were studied to investigate the feasibility of applying $Ge_xSb_{100-x}$ alloys in optical memory. The $Ge_xSb_{100-x}$ thin film was deposited by RF magnetron co-sputtering system and phase change characteristics were investigated by X-ray diffraction (XRD), static tester, inductively coupled plasma atomic emission spectrometer (ICP-AES) and atomic force microscopy (AEM). Optimum fiim composition of $Ge_xSb_{100-x}$ was studied and its minimum time fur laser induced crystallization and optical contrast fur phase transition was performed. These results might be correlated with the binding energies between Ge and Sb, and indicate that $Ge_xSb_{100-x}$ have an potential far optical memory applications.

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Structural Basis of Functional Conversion of a Floral Repressor to an Activator: A Molecular Dynamics Simulation Study

  • Kang, Suk-Ki;Lee, Ju-Yong;Lee, Myeong-Sup;Seok, Cha-Ok
    • Bulletin of the Korean Chemical Society
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    • v.29 no.2
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    • pp.408-412
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    • 2008
  • FLOWERING LOCUS T (FT) and TERMINAL FLOWER 1 (TFL1) in Arabidopsis are homologous proteins that perform opposite functions: FT is an activator of flowering, and TFL1 is a repressor. It was shown before that change of a single amino acid (His88) of TFL1 to the corresponding amino acid (Tyr) of FT is enough to convert the floral repressor to an activator. However, structural basis of the functional conversion has not been understood. In our molecular dynamics simulations on modified TFL1 proteins, a hydrogen bond present in native TFL1 between the His88 residue and a residue (Asp144) in a neighboring external loop became broken by change of His88 to Tyr. This breakage induced conformational change of the external loop whose structure was previously reported to be another key functional determinant. These findings reveal that the two important factors determining the functional specificities of the floral regulators, the key amino acid (His88) and the external loop, are correlated, and the key amino acid determines the functional specificity indirectly by affecting the conformation of the external loop.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

  • Guo, Huan-Mei;Wang, Xian;Jian, Fang Fang;Xiao, Hai Lian;Zhao, Pu Su
    • Bulletin of the Korean Chemical Society
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    • v.30 no.5
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    • pp.1061-1066
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    • 2009
  • Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Study of Substitution Effect of Anthraquinone by SERS Spectroscopy

  • Lee, Chul-Jae;Kang, Jae-Soo;Park, Yong-Tae;Rezaul, Karim Mohammad;Lee, Mu-Sang
    • Bulletin of the Korean Chemical Society
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    • v.25 no.12
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    • pp.1779-1783
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    • 2004
  • In the present study, we carried out comparative research on the anthraquinones Raman spectrum and on the anthraquinones derivative 1,4-diamino-anthraquinone focusing on change in its intermediate in terms of pH and change in the substituent. WE use the SERS method and employ a silver sol prepared by Creighton et al.'s method. From the analysis of the UV spectrum of the mixture solution of 1,4-diamino-anthraquinone and silver sol, we could see that the 1,4-diamino-anthraquinone physically adsorbs silver sol. In terms of the adsorbing orientation, the adsorption of the nitrogen atom in the amino group is perpendicular to the surface of silver sol according to the surface selection rule. From the structure of the 1,4-diamino-anthraquinone intermediate according to the change of pH, we could see that the C=O bond is strengthened in the acidic state and weakened in the neutral and the alkaline state because of the resonance effect of the amines.

Solvent Effects on the Solvatochromism of 7-Aminocoumarin Derivatives in Neat and Binary Solvent Mixtures: Correlation of the Electronic Transition Energies with the Solvent Polarity Parameters

  • Choi, Jin-Yeong;Park, Eun-Ju;Chang, Seung-Hyun;Kang, Tai-Jong
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1452-1458
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    • 2009
  • The change in the electronic absorption and emission energy of 7-aminocoumarin derivatives in binary solvent mixtures has been studied. The electronic transition energy along with the Stokes' shift is correlated with the orientation polarizability of the solvent as well as the empirical solvent polarity parameters $E_T$ (30). It is observed that the emission peak shift traces the change of $E_T$ (30) value very closely in binary solvent mixtures. The emission transition more strongly depends on the solvent polarity than the absorption, which indicates the dipole moment gets larger on excitation. From the dependence of the Stokes’ shift of 7-aminocoumarins with the solvent polarity parameters and the ground state dipole moment obtained by the semi-empirical calculations, the excited state dipole moment was estimated. The fluorescence lifetime change of 7-aminocoumarins in binary solvent mixtures was measured and the results are explained in terms of molecular conformation and solvent polarity. The study indicates the empirical solvent polarity $E_T$ (30) is a good measure of microscopic solvent polarity and it probes in general the non-specific solvent interactions.

A Mechanistic Study on Addition Reactions of Alicyclic Amines to 3-Butyn-2-one

  • 음익환;이정숙;육성민
    • Bulletin of the Korean Chemical Society
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    • v.19 no.7
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    • pp.776-779
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    • 1998
  • Second-order rate constants have been measured spectrophotometrically for the addition reaction of a series of alicyclic amines to 3-butyn-2-one to yield their respective enamines at 25.0 'C. The reactivity of the amines increases with increasing the basicity of the amines. However, the Bronsted-type plot obtained exhibits a downward curvature as the basicity of the amines increases, i.e. βnuc decreases from 0.3 for low basic amines (pKa < 9) and to 0.1 for highly basic amines (pKa > 9). Such a curvature in the Bronsted-type plot is clearly indicative of a change in the reaction mechanism or transition state structure. From the corresponding reactions run in D2O, the magnitude of kinetic isotope effect (KIE) has been calculated to be about 0.8 for highly basic amines and 1.21 for weakly basic amines. The difference in the magnitude of KIE also supports a change in the reaction mechanism or transition state structure upon changing the basicity of the amines. Furthermore, the small KIE clearly suggests that H+ transfer is not involved in the rate-determining step, i.e. the addition reaction is considered to proceed via a stepwise mechanism in which the attack of the amines to the acetylene is the rate-determining step. The curvature in the Bronsted-type plot has been attributed to a change in the degree of bond formation between the amine and the acetylene.

Rates of Conformational Change of 3,3-Dimethylpiperidine and Solvent Effects on Its Conformation When Coordinated to the Paramagnetic Undecatungstocobalto(II)silicate Anion Studied by 1H NMR Spectroscopy

  • 현재원;소현수
    • Bulletin of the Korean Chemical Society
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    • v.18 no.9
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    • pp.961-965
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    • 1997
  • 1H NMR spectra of 3,3-dimethylpiperidine (1) at -70 to 30 ℃ exhibit gradual change from slow to rapid exchange between two alternate chair forms. The exchange rate constant was determined as a function of temperature by simulating the line shape of the signal from the two methyl groups using the modified Bloch equations. The resulting free energy of activation is ΔG* = 44.4±1.9 kJ mol-1 at 298 K. The 1H NMR spectrum of a D2O or dimethylsulfoxide-d6 (DMSO-d6) solution containing 1 and [SiW11CoⅡO39]6- exhibits separate signals for the free ligand and the complex, indicating that the ligand exchange is slow on the NMR time scale. In D2O the piperidine ring is frozen as a chair form even at room temperature with the cobalt ion bonded to the axial position of the nitrogen atom. When DMSO-d6 is added to the D2O solution, the NMR spectral change suggests that a rapid exchange occurs between the chair form and another conformer. It is proposed that the conformation of ^b1^b coordinated to [SiW11CoⅡO39]6- in DMSO-d6 is close to a twist form.

Chemical and Thermal Characterizations of Electron Beam Irradiated Jute Fibers (전자빔 조사된 황마섬유의 화학적 및 열적 특성분석)

  • Ji, Sang Gyu;Cho, Donghwan;Lee, Byung Cheol
    • Journal of Adhesion and Interface
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    • v.11 no.4
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    • pp.162-167
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    • 2010
  • In the present work, the effect of electron beam irradiation on the chemical and thermal characteristics of cellulose-based jute fibers was explored by means of chemical analysis, electron spin resonance analysis, ATR-FTIR spectroscopy, thermogravimetric analysis and thermomechanical analysis. Jute fiber bundles were uniformly irradiated in the range of 2~100 kGy by a continuous method using a conveyor cartin an electron beam tunnel. Electron beam treatment, which is a physical approach to change the surfaces, more or less changed the chemical composition of jute fibers. It was also found that the radicals on the jute fibers can be increasingly formed with increasing electron beam intensity. However, the electron beam irradiation did not change significantly the chemical functional groups existing on the jute fiber surfaces. The electron beam irradiation influenced the thermal stability and thermal shrinkage/expansion behavior and the behavior depended on the electron beam intensity.

Investigating production parameters and impacts of potential emissions from soybean biodiesel stored under different conditions

  • Ayoola, Ayodeji Ayodele;Adeniyi, David Olalekan;Sanni, Samuel Eshorame;Osakwe, Kamsiyonna Ikenna;Jato, Jennifer Doom
    • Environmental Engineering Research
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    • v.23 no.1
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    • pp.54-61
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    • 2018
  • Biodiesel production parameters and the impact analysis of the potential emissions from both soybean biodiesel and washing water stored in three different environmental conditions were investigated. The effects of the reaction temperature, methanol/oil mole ratio and catalyst concentration on biodiesel yield were considered. And the results showed optimum biodiesel yield of 99% obtained at $54^{\circ}C$, 7 methanol/oil mole ratio and 0.4 wt/wt % catalyst concentration. The potential emissions from both the biodiesel produced and washing water stored (for six weeks) in refrigerator (${\leq}10^{\circ}C$), vacuum (50 kPa) and direct exposure to atmosphere were identified and quantified. Impact analysis of the emissions involved their categorization into: terrestrial acidification, freshwater eutrophication, human toxicity, terrestrial ecotoxicity, climate change and freshwater ecotoxicity. Freshwater ecotoxicity category had the most pronounced negative impact of the potential emissions with $5.237710^{-2}kg\;1,4-DB\;eq$. emissions in Atmosphere, $4.702610^{-2}kg\;1,4-DB\;eq$. emissions in Refrigerator and $3.966110^{-2}kg\;1,4-DB\;eq$. emissions in Vacuum. Climate change had the least effect of the emissions with $6.214106^{-6}kg\;CO_2\;eq$. in Atmosphere, $3.9310^{-6}kg\;CO_2\;eq$. in Refrigerator and $1.6710^{-6}kg\;CO_2\;eq$. in Vacuum. The study showed that the order of preference of the storage environments of biodiesel is vacuum environment, refrigerated condition and exposure to atmosphere.