• Title/Summary/Keyword: chemical shift

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Toward the Construction of High-tech Infrastructure for Clean Manufacturing in Japanese Chemical Industry -Challenge of Simple Chemistry Program-

  • Shimizu, Yoshiaki
    • Clean Technology
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    • v.2 no.2
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    • pp.90-99
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    • 1996
  • Being confronted with the 21th century at hand, a paradigm shift has been a common topic for development in many fields. Among these, a concept of sustainable development is the most important one to resolve conflict and nurture mutualism between science/technology(SCI/TEC) and society/environment(SOC/ENV). Looking briefly over the resent stats of the chemical industry in Japan, in this paper, we will introduce a research program named simple chemistry as an example for such a challenge.

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Solution and Solid-state Vanadium-51 NMR Studies of Vanadium (V) Complexes

  • Lee, Man-Ho
    • Journal of the Korean Magnetic Resonance Society
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    • v.1 no.1
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    • pp.1-6
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    • 1997
  • Several dioxovanadate (V) complexes are synthesized and studied by solution and solid-state 51V NMR spectroscopy. In the results, large 51V chemical shift anisotropy ({{{{ DELTA delta }}a = -800 ∼720 ppm) and quadrupole coupling (e2q /h = 7.50 ∼ 9.16 MHz) were observed in the solid-state complexes. The isotropic chemical shifts of the solid samples are very close to the values obtained from solution measurements.

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Periodicity in Chemical Shifts and Temperature Coefficients of $\alpha$-helix in TFE Solution

  • Suh, Jeong-Yong;Choi, Byong-Seok
    • Proceedings of the Korean Biophysical Society Conference
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    • 1997.07a
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    • pp.42-42
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    • 1997
  • Local conformation of helical peptides in TFE solution are studied by NMR spectroscopy. One is a helix containing proline and the other is its alanine derivative in which alanine is substituted for the proline. Chemical shift and temperature coefficient In NMR spectroscopy can be used preliminarily to determine secondary structure in proteins and peptides.(omitted)

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Spectroscopic Studies of Conjugated Uracil $Derivatives^+$

  • Chang Kiu Lee;Young Hie Kim
    • Bulletin of the Korean Chemical Society
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    • v.12 no.2
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    • pp.207-210
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    • 1991
  • Ultraviolet spectra of 5-and 6-uracilyl compounds which contain conjugated double bonds were obtained and their characteristic phenomena were examined. 5-Formyluracil and 6-methyl-5-formyluracil showed bathochromic shifts which should be expected from a conjugated carbonyl compound. 6-Formyluracil did not show any shift in absorbing wavelength. 5-and 6-uracilylacrylic acid derivatives, on the other hand, showed absorption at similar wavelengths, indicating the presence of a hexatriene chromophore. The ratio of ${\Delta}ν/J$ in nuclear magnetic resonance spectra of those compounds decreased drastically as the acrylic acids or esters were converted into amides.

Correlation of Chemical Shifts with Substituent Parameters in N-Benzyl Derivatives of Pyrrole,3a,7a-Dihydroindole,and Indole Esters

  • Jeon, Kyu-Ok;Yu, Sook-Yu;Lee, Chang-Kiu
    • Bulletin of the Korean Chemical Society
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    • v.23 no.9
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    • pp.1241-1255
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    • 2002
  • Series of m- and p-substituted benzyl derivatives of pyrrole, tetramethyl 1-benzyl-3a,7a-dihydroindole-2,3,3a,4-tetracarboxylate, and trimethyl 1-benzylindole-2,3,4-tricarboxylate were prepared and their 13C NMR spectra were obtained in 0.1 M solutions of chloroform-d. Both single substituent parameter and dual substituent parameter analyses were carried out to correlate the substituent chemical shifts. The ${\beta}$ carbon of the indole series showed the most profound substituent effect dependence as well as the best correlation. The results are explained by the hyperconjugation of the benzyl methylene group.

The Novel Functional Chromophores Based on Squarylium Dyes

  • Park, Soo-Youl;Jun, Kun;Oh, Sea-Wha
    • Bulletin of the Korean Chemical Society
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    • v.26 no.3
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    • pp.428-432
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    • 2005
  • Squarylium or squaraine dyes are derived from 1,2-dihydroxycyclobuten-3,4-dione, otherwise known as squaric acids. They are two principal types: the 1,2-bisdonorsubstituted derivatives, and the 1,3-bisdonorsubstituted derivatives. The former are essentially merocyanines and have no distinctive properties, whereas the latter represent a unique type of chromophore, which is neither a merocyanines nor cyanine and has exceptional light absorption characteristics. They also have many functional applications based on their special properties. Thus it was the objective of this research project to synthesize a range of 1,3-squarylium dyes of widely differing structural types, and to investigate their light absorption and fluorescence properties in general, and the color change properties of appropriate examples in particular. Also in this study, the various pHinduced colour change processes were examined.

Use of Correlation of 1H and 13C Chemical Shifts of N-Arylsuccinanilic Acids,N-Arylsuccinimides, N-Arylmaleanilic Acids, and N-Arylmaleimides with the Hammett Substituent Constants for the Studies of Electronic Effects

  • Lee, Hye-Sun;Yu, Ji-Sook;Lee, Chang-Kiu
    • Bulletin of the Korean Chemical Society
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    • v.30 no.10
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    • pp.2351-2354
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    • 2009
  • A series of N-arylsuccinanilic acids, N-arylsuccinimides, N-arylmaleanilic acids, and N-arylmaleimides was prepared and their NMR spectra were examined by correlating the $^1H\;and\;^{13}C$ chemical shift values with the corresponding Hammett $\sigma$ values. The carbonyl carbons of the amides show a normal correlation with $\sigma$ but those of the imides show an inverse correlation.

Substituent Chemical Shifts of (E)-1-Aryl-3-thienylpropen-1-ones

  • HanLee, In-Sook;Jeon, Hyun-Ju;Yu, Ji-Sook;Lee, Chang-Kiu
    • Bulletin of the Korean Chemical Society
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    • v.31 no.6
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    • pp.1689-1694
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    • 2010
  • Substituent chemical shifts were examined for the 2- and 3-thiophene derivatives of chalcone and compared to the thiophene series of derivatives with the phenyl series. The chemical shift values for the ${\alpha}$-carbons of the enones showed and inverse correlation with the Hammett $\sigma$ values, but the correlation coefficients were moderate (r = 0.836 - 0.878). On the other hand, the $\beta$-carbons showed a normal correlation with excellent correlation coefficients (r = 0.994). The absolute magnitude of the $\rho$ values for the $\alpha$-carbon are about half of those of the $\beta$-carbon. The observation may be the result of a through-space transition of the electronic effect of the substituents in addition to the through bond transition.

The Syntheses and Application of NIR Dyes Based On Light Absorbing Properties

  • Park, Soo-Youl;Shin, Seung-Rim;Shin, Joung-Il;An, Kyoung-Lyong;Lee, Sang-Oh;Jun, Kun
    • Proceedings of the Korean Society of Dyers and Finishers Conference
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    • 2010.03a
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    • pp.49-50
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    • 2010
  • The near-infrared absorbing donor-acceptor chromophores have been investigated by varying the electron donating and accepting molecular moiety. A series of near-infrared absorbing chromophores were offered narrow and intense absorption band in a various organic solvents. The dyes synthesised were, however, strongly bathochromic shift which extended well into the near-infrared region. The functional uses of dyes are vast in number, and it is convenient to classify them in some way. In all cases, it is the $\Pi$-chromophore that plays a major role in the functional application. "Light absorption" is of course the most commonly used property of a dye chromophore, and it can be employed directly, e.g. in light filters and optical data recording, or it can be used to drive further functional processes, e.g. fluorescence, photochromism, photosensitization.

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