• Title/Summary/Keyword: Substituted

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Superparamagnetic Gd- and Mn-substituted Magnetite Fluids Applied as MRI Contrast Agents

  • Kim, Jong-Hee;Lee, Chang-Hyun;Lee, Sang-Kuk
    • Bulletin of the Korean Chemical Society
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    • v.30 no.6
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    • pp.1305-1308
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    • 2009
  • The experimental particle samples included ($Mn_{0.1}Fe_{0.9}$)O-$Fe_2O_3$ and FeO-($Gd_{0.1}Fe_{0.9}$)$_2O_3$ with $Mn^{2+}\;and\;Gd^{3+}$ substitutions in inverse spinel $Fe_3O_4$. A lecithin surfactant was adsorbed onto the magnetic particles by ultrasonication. The samples prepared showed excellent dispersibility at the mean size of 13 nm; their saturation magnetization values were 63 emu/g for the bare and Mn-substituted magnetites, and 56 emu/g for the Gd-substituted magnetite. The crystal structure of the substituted magnetites was very similar to that of the bare magnetite, due to a small amount of 0.1 mole fraction substituted in synthesizing the magnetite. The magnetite fluids, according to T2-weighted MR images, effectively diminished the signal intensity in the liver and spleen of Sprague-Dawley rats.

Substitution Effect on Electronic Transition of Bi-substituted Benzyl-type Radicals: Symmetric Substitution

  • Ahn, Hyeon-Geun;Lee, Gi-Woo;Kim, Tae-Kyu;Lee, Sang-Kuk
    • Bulletin of the Korean Chemical Society
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    • v.28 no.11
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    • pp.1993-1995
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    • 2007
  • A substitution effect on the electronic transition of bi-substituted benzyl-type radicals was discovered. The origin of the electronic D1 → D0 transition of benzyl-type radicals was red-shifted upon substitution to the benzene ring. For symmetric bi-substituted benzyl-type radicals, it was found that the predicted shift obtained from mono-substituted benzyl-type radicals agreed well with the observation. The reason for this agreement is believed that the substituent contributes independently to the electronic energy. The substitution effect was applied to the symmetric bi-substituted difluoro-, dichloro- and dimethylbenzyl radicals.

Reactivity of the Biheterocyclic Betaine with the para-Substituted Phenacyl Bromides for the Ring Transformation Reaction

  • Yoo, Kyung-Ho;Kim, Dong-Jin;Kim, You-Seung;Park, Sang-Woo
    • Bulletin of the Korean Chemical Society
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    • v.9 no.3
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    • pp.164-166
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    • 1988
  • 7-Dithiocarboxy-3-phenyl-5,6-dihydro imidazo[2,1-b]thiazolium-betaine (2) was prepared by treatment of 3-phenyl-5,6-dihydro imidazo[2,1-b]thiazole (1) with carbon disulfide in acetone at room temperature. On the reaction of 2 with para-substituted phenacyl bromides (4) having the electron withdrawing property by virtue of (+) resonance (R) < (-) inductive (I) or (-) resonance (R), (-) inductive (I) effect, ring transformation product p-substituted-2-[2-[7-(p-substituted benzoyl)-5-thioxo-2,3-dihydro-1H-imidazo[1,2-c] thiazol-1-yl]-2-phenylvinylthio] acetophenone (6) was obtained; however, when R is electron donating grops with (+) resonance (R) > (-) inductive (I) effect the quarternary ammonium salt 7-(p-substituted phenyl) carbonyl methyl-3-phenyl-5,6-dihydro imidazo [2,1-b] thiazolium bromide (8) is formed. The reaction of 2 with unsubstituted-phenacyl bromide (R = H), on the other hand, gives 6a and 8a to the similar ratio, respectively.

Study on the reducibility of substituted $LaFeO_3$ (치환된 $LaFeO_3$의 환원반응성에 대한 연구)

  • Jeon, Hyun-Pyo;Lee, Sang-Beom
    • The Journal of Natural Sciences
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    • v.15 no.1
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    • pp.35-46
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    • 2005
  • $LaFeO_3$ and substituted $LaFeO_3$ mixed oxides were prepared by Citrate and Cyanide method in air $850^{\circ}C$/24h. These oxides of orthorhombic perovskite were characterized by XRD and IR, but substituted $LaFeO_3$ with 0.5mol Cu at B site was not obtained single phase. Also, reduction reaction of un-substituted $LaFeO_3.17$ were two steps but each site substituted oxides were three steps reactions. These means that new reduction step of each site substituted oxides were atributed tot dopant.

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MO Studies on the Reaction of t-Butoxyl, t-Butyl Radical with Substituted-Toluenes (t-Butoxyl, t-Butyl 라디칼에 의한 치환체-톨루엔의 수소 추출반응에 대한 분자궤도론적 연구)

  • Young Gu Cheun;Mi Sook Hwang;Ikchoon Lee
    • Journal of the Korean Chemical Society
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    • v.27 no.6
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    • pp.391-398
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    • 1983
  • The reaction for the hydrogen abstraction from substituted-toluenes by t-butoxyl and t-butyl radical have been studied MO theoretically using CNDO/2 method. The reaction for the abstraction from substituted-toluenes by t-butoxyl radical showed the negative ${\rho}$ values from Hammett equation, since t-butoxyl radial is electrophilic, relatively low energy SOMO, which can interact with HOMO energy of substituted-toluens. On the other hand, t-butyl radical is nucleophilic, relatively high energy SOMO, which can interact with LUMO energy of substituted-toluenes. And so the reaction of abstraction from substituted-toluenes by t-butyl radical exhibited positive ${\rho}$ values.

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A Facile One-Pot Synthesis of 1-Substituted Tetrazole-5-thiones and 1-Substituted 5-Alkyl(aryl)sulfanyltetrazoles from Organic Isothiocyanates

  • Han, Sam-Yong;Lee, Je-Woo;Kim, Hee-Jung;Kim, Yong-Joo;Lee, Soon-W.;Gyoung, Young-Soo
    • Bulletin of the Korean Chemical Society
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    • v.33 no.1
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    • pp.55-59
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    • 2012
  • Treatments of organic isothiocyanates (R-NCS) with $NaN_3$ in the presence of pyridine in water at room temperature gave corresponding various organic tetrazole-thiones, [$S=CN_4(R)$] (R = alkyl or aryl). Isolated products are obtained as white or yellow solids in good yields (76-97%). The molecular structure by X-ray diffraction study for one of products shows the proposed formation. In addition, one-pot synthesis of 1-substituted 5-alkyl(or aryl)sulfanyltetrazoles has been demonstrated. Addition of alkyl or aryl halides into the mixture of organic isothiocyanates, $NaN_3$, and pyridine in water at room temperature exclusively formed 1-substituted 5-alkyl(or aryl)sulfanyltetrazoles (S-derivatives) in high yields.

Quantum-chemical Study of Effects of Alkoxy Substitution on the Conformations and Electronic Properties of Poly(p-phenylenevinylenes)

  • Hong, Sung Y.
    • Bulletin of the Korean Chemical Society
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    • v.20 no.1
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    • pp.42-48
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    • 1999
  • We have performed a quantum-chemical investigation on the conformations and electronic properties of a variety of methoxy-substituted poly(p-phenylenevinylenes) (PPVs) to elucidate the effects of alkoxy substitution. Geometrical parameters for the polymers were fully optimized through Austin Model I (AM I) semi-empirical Hartree-Fock (HF) band calculations. Electronic properties of the polymers were obtained by applying the AM I optimized structures to the modified extended Huckel method. To confirm validity of the AM I conformational results, we also carried out ab initio HF calculations with the 6-31G (d) basis set for a variety of methoxy-substituted divinylbenzenes. It is found that the potential energy surfaces of alkoxy-substituted PPVs are quite shallow around the planar conformations, suggesting that the prepared films possess a variety of conformations with different torsion angle in the solid state, depending on the synthetic conditions. When two alkoxy groups are concurrently substituted at the adjacent sites in the phenylene ring, these groups are subject to rotating around the C(sp2)-O bonds by 70-80° to avoid the strong steric repulsion between them. Consequently, the overlap between the π-type p orbital of oxygen and the π molecular orbitals of the polymer decreases. This leads to a wide gap and a high oxidation potential for tetramethoxy-substituted PPV, compared to those of dialkoxy-substituted PPV.

The Effect of N-Substituted Alkyl Groups on the Anticonvulsant Activities of N-Cbz-${\alpha}$-amino-N-alkylsuccinimides

  • Lee, Jae-Won;Son, Ki-Chun;Jung, Kyung-Im;Choi, Jong-Won;Park, Min-Soo
    • Archives of Pharmacal Research
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    • v.20 no.1
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    • pp.53-57
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    • 1997
  • For the purpose of defining the effects of the N-substituted alkyl groups on the anticonvulsant activities of N-Cbz-.alpha.-aminosuccinimides, various (R)- and (S)-N-alkyl substituted N-Cbz-.alpha.-aminosuccinimides (1 and 2) were prepared from the corresponding (R)- and (S)-N-Cbz-aspartic acid by using known reaction and were evaluated the anticonvulsant activies in the MES and PTZ tests, including their neurotoxicities. The most active compound in the MES test was (R)N-Cbz-.alpha.-amino-N-methylsuccinimide (1b) $(ED_{50}=52.5 mg/kg, Pl=3.2)$. And in case of the PTZ test, (R)-N-Cbz-.alpha.-amino-N-ethylsuccinimide (1c) was the most active compound $(ED_{50}/=32.5mg/kg, Pl=3.1)$. The order of anticonvulsant activities of these compounds against the MES test, as judged from the ED_50values for the R series (1), was N-methyl > N-isobutyl > non-substituted > N-ethyl, N-allyl > N-benzyl compound; for the S series (2) N-methyl > N-altyl > non-substituted > N-isobutyl > N-ethyl > N-benzyl compound. The anticonvulsant activities in the PTZ tests of these compounds exhibited somewhat different pattern ; for the R series (1) Nethyl > N-methyl > N-isobutyl> non-substituted > N-allyl > N-benzyl compound in order of decreasing activity; for S series (2) N-ethyl > N-allyl, non-substituted > N-isobutyl > N-methyl > N-benzyl compound in order of decreasing activity.

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