• Title/Summary/Keyword: Organic functional groups

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A Method for Absolute Determination of the Surface Areal Density of Functional Groups in Organic Thin Films

  • Min, Hyegeun;Son, Jin Gyeong;Kim, Jeong Won;Yu, Hyunung;Lee, Tae Geol;Moon, Dae Won
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.793-797
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    • 2014
  • To develop a methodology for absolute determination of the surface areal density of functional groups on organic and bio thin films, medium energy ion scattering (MEIS) spectroscopy was utilized to provide references for calibration of X-ray photoelectron spectroscopy (XPS) or Fourier transformation-infrared (FT-IR) intensities. By using the MEIS, XPS, and FT-IR techniques, we were able to analyze the organic thin film of a Ru dye compound ($C_{58}H_{86}O_8N_8S_2Ru$), which consists of one Ru atom and various stoichiometric functional groups. From the MEIS analysis, the absolute surface areal density of Ru atoms (or Ru dye molecules) was determined. The surface areal densities of stoichiometric functional groups in the Ru dye compound were used as references for the calibration of XPS and FT-IR intensities for each functional group. The complementary use of MEIS, XPS, and FT-IR to determine the absolute surface areal density of functional groups on organic and bio thin films will be useful for more reliable development of applications based on organic thin films in areas such as flexible displays, solar cells, organic sensors, biomaterials, and biochips.

Reaction of Lithium Cyanoaluminum Hydride with Selected Organic Compounds Containing Representative Functional Groups. Comparison of Reducing Characteristics between Lithium and Sodium Cyanoaluminum Hydrides

  • Cha, Jin-Soon;Yu, Se-Jin
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1588-1592
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    • 2009
  • Lithium cyanoaluminum hydride (LCAH) was prepared by the metal cation exchange reaction of sodium cyanoaluminum hydride with lithium chloride in tetrahydrofuran. The reducing characteristics of LCAH were explored systematically by the reaction with selected organic compounds containing representative functional groups under the standardized conditions (tetrahydrofuran, 0 ${^{\circ}C}$). The reducing ability of LCAH was also compared with of the sodium derivative, sodium cyanoaluminum hydride (SCAH). Generally, the reducing behavior of LCAH resembles that of SCAH closely, but the reactivity of LCAH toward representative organic functional groups appeared to be stronger than that of SCAH. Thus, the regent reduces carbonyl compounds, epoxides, amides, nitriles, disulfides, carboxylic acids and their acyl derivatives to the corresponding alcohols or amines, at a relatively faster rate than that of SCAH. The cyano substitution, a strong election-withdrawing group, diminishes the reducing power of the parent metal aluminum hydrides and hence effects the alteration of their reducing characteristics.

Comparative Study of Acute Dyspepsia, Functional Dyspepsia, Organic Dyspepsia by HRV(Heart Rate Variability) (심박변이도를 통한 급성, 기능성, 기질성 소화불량증의 비교연구)

  • Kim, Hyo-Jin;Kim, Bo-Kyung;Kim, Won-Il
    • Journal of Oriental Neuropsychiatry
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    • v.21 no.2
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    • pp.75-85
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    • 2010
  • Objectives : This study was designed to evaluate the correlation between patterns of dyspepsia(acute dyspepsia, functional dyspepsia, dyspepsia with the organic disease) and autonomic nerve system dysfunction using HRV analysis. Methods : The patient group consisted of 88 patients diagnosed as a dyspepsia (Acute dyspepsia group-35 patients, Functional dyspepsia group-28 patients, Dyspepsia with the organic disease group-28 patients) who visited in the Oriental Medical Hospital of Dong-eui University from 2005.3.OO to 2008.8.OO. And the control group consisted of 33 patients diagnosed as a normal state of stomach during the same period. We checked HRV of the 4 groups over 5 minutes and compared the HRV index between groups. Results : 1. HF, LF, VLF and TP were significantly lower in the acute dyspepsia, functional dyspepsia and organic dyspepsia patient group than in the control group. 2. HF, LF, VLF and TP were higher in the acute dyspepsia patient group than in the organic dyspepsia patient group, but the differences were not statistically significant. 3. HF, LF, VLF and TP were higher in the acute dyspepsia patient group than in the functional dyspepsia patient group, but the differences were not statistically significant. 4. HF, LF, VLF and TP were lower in the functional dyspepsia patient group than in the organic dyspepsia patient group, but the differences were not statistically significant. Conclusions : Compared to the control group, all of the dyspepsia patient groups showed the tendency that the overall activity of the autonomic nervous system and the activity of sympathetic nerves decreased. Although there was no significant difference in the suppression of the autonomic nervous system, chronic dyspepsia patient group was lower than acute dyspepsia patient group, functional dyspepsia patient group was lower than the organic dyspepsia patient group in HRV.

Computational screening of electroactive indolequinone derivatives as high-performance active materials for aqueous redox flow batteries

  • Han, Young-Kyu;Jin, Chang-Soo
    • Current Applied Physics
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    • v.18 no.12
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    • pp.1507-1512
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    • 2018
  • The development of an organic-based aqueous redox flow battery (RFB) using quinone as an electroactive material has attracted great attention recently. This is because this battery is inexpensive, produces high energy density, and is environment friendly in stationary electrical energy storage applications. Herein, we investigate the redox potentials and solubilities of indole-5,6-quinone and indole-4,7-quinone derivatives in terms of the substituent effects of functional groups using theoretical calculations. Our results indicate that full-site substituted derivatives of indolequinone are more useful as active materials compared to single-site substituted derivatives. In particular, our calculations reveal that the substitution of $-PO_3H_2$ and $-SO_3H$ functional groups with multiple polar bonds is very effective in increasing the activity of the aqueous RFB. As a strategy to overcome the limitation that the aqueous solubility is intrinsically low because they are organic molecules, we suggest the substitution of functional groups with multiple polar bonds to the backbones of active organic materials. Among 180 indolequinone derivatives, 17 candidates that meet the redox potential standards ($${\leq_-}0.2V$$ or $${\geq_-}0.9V$$) and eight candidates with solubility exceeding 2 mol/L are identified. Three indolequinone derivatives that satisfy both conditions are finally presented as promising electroactive candidates for an aqueous RFB.

Synthesis, End-Functionalization and Characterization of Hyperbranched Polysiloxysilanes from $AB_3$ Type Monomer

  • Ishida, Yoshihito;Yokomachi, Kazutoshi;Seino, Makoto;Hayakawa, Teruaki;Kakimoto, Masa-aki
    • Macromolecular Research
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    • v.15 no.2
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    • pp.147-153
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    • 2007
  • Hyperbranched polysiloxysilanes (HBPSs), with a variety of terminal functional groups (vinyl, epoxy, carboxyl and hydroxyl), were synthesized by the self-polymerization of an $AB_3$ type monomer of tris(dimethylvinylsiloxy) silane, with subsequent end-functionalizations, such as epoxidation and radical addition reaction, respectively. The ratio of the $\alpha-and$ $\beta-addition$ linkages in the HBPS polymerized by hydrosilylation of the $AB_3$ monomer was found to be approximately 1 to 3. The thermal stability and solubility were affected by the terminal functional groups.

Role of KOH in the One-Stage KOH Activation of Cellulosic Biomass

  • Oh, Gyu-Hwan;Yun, Chang-Hun;Park, Chong-Rae
    • Carbon letters
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    • v.4 no.4
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    • pp.180-184
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    • 2003
  • The role of KOH in the one-stage KOH-activation of rice straws was studied using FTIR, XPS, TGA, and DTG techniques. It was found that at the impregnation, KOH extracts to some extent the lignin component from rice straw and reacts with hydroxyl groups. On heat-treatment, the impregnated KOH facilitates intermolecular condensation reaction on one hand but retards the thermal degradation of cellulose molecules on the other hand. The oxygen-containing surface functional groups newly created by oxidation of KOH may facilitate the bulk, not controlled, consumption of carbon atoms so that the effective porosities may not be able to be developed by the one-stage activation process.

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The Relationship between Functional Dyspepsia and Dyspepsia caused by Organic Disease in Heart Rate Variability (심박변이도(HRV)에서 기능성 소화불량증과 기질성 소화불량증의 상관성 연구)

  • Kim, Sang-Heon;Kim, Hyo-Jin;Lee, Soo-Jung;Sin, Cheol-Kyung;Lee, Sang-Hee;Kim, Won-Il
    • The Journal of Internal Korean Medicine
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    • v.29 no.2
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    • pp.443-455
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    • 2008
  • Objectives : This study was designed to research whether HRV can yield a suitable diagnosis for activity of autonomic nerve system on functional dyspepsia. Methods : The testing of HRV was carried out at the Oriental Medical Center of Dong-Eui University with the participation of 28 functional dyspepsia patients, 25 dyspepsia caused by organic disease patients and 33 control group people. We checked HRV of the three groups for 5 minutes and compared HRV index(frequency domain analysis: HF, LF, VLF, LF/HF Ratio, TP) between groups. Results were as follows : 1. In the frequency domain analysis, HF, LF, VLF, and TP were significantly lower than the control group in the functional dyspepsia patients and dyspepsia caused by organic disease groups. HF, LF, VLF, LF/HF ratio, and TP were not significantly different between functional dyspepsia group and dyspepsia caused by organic disease group. 2. Age in dyspepsia patient group was significantly higher than in the control group. 3. In the frequency domain analysis, LF, VLF, and TP were significantly lower in the functional dyspepsia group than the control group in age 20-30 years. HF, LF, VLF, LF/HF ratio, and TP were not significantly different between the control group and dyspepsia caused by organic disease group in ages 20-30 years. HF, LF, VLF, LF/HF ratio, and TP were not significantly different between functional dyspepsia group and dyspepsia caused by organic disease group in age 20-30 years. Conclusion : According to this study, autonomic nerve system and parasympathetic nerve system decreased more in the functional dyspepsia patient group compared with the control group.

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Time-Dependent Density Functional Theory Study on Cyclopentadithiophene-Benzothiadiazole-Based Push-Pull-Type Copolymers for New Design of Donor Materials in Bulk Heterojunction Organic Solar Cells

  • Ku, Ja-Min;Kim, Dae-Kyun;Ryu, Taek-Hee;Jung, Eun-Hwan;Lansac, Yves;Jang, Yun-Hee
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.1029-1036
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    • 2012
  • Push-pull-type copolymers - low-band-gap copolymers of electron-rich fused-ring units (such as cyclopentadithiophene; CPDT) and electron-deficient units (such as benzothiadiazole; BT) - are promising donor materials for organic solar cells. Following a design principles proposed in our previous study, we investigate the electronic structure of a series of new CPDTBT derivatives with various electron-withdrawing groups using the time-dependent density functional theory and predict their power conversion efficiency from a newlydeveloped protocol using the Scharber diagram. Significantly improved efficiencies are expected for derivatives with carbonyl [C=O], carbonothioyl [C=S], dicyano [$C(CN)_2$] and dicyanomethylene [C=$C(CN)_2$] groups, but these polymers with no long alkyl side chain attached to them are likely to be insoluble in most organic solvents and inapplicable to low-cost solution processes. We thus devise several approaches to attach alkyl side chains to these polymers while keeping their high efficiencies.

Selective Reduction of Carbonyl Group with Borohydride Exchang Resin (BER)-LiCl System

  • Gyoung, Young-Soo;Yoon, Nung-Min;Jeon, Dae-Hoon
    • Bulletin of the Korean Chemical Society
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    • v.8 no.3
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    • pp.162-165
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    • 1987
  • The reduction rate of borohydride exchange resin (BER) was greatly enhanced in the presence of lithium salts. Thus 2-heptanone was reduced completely with BER-LiCl in 1 h at room temperature. However, no reduction was observed with BER alone under the same conditions. With this system, organic compounds containing various fuctional groups were examined in ethanol at room temperature. This study revealed that BER-LiCl system exhibits an excellent chemoselectivity for carbonyl group in the presence of other functional groups. Keto esters and epoxy ketones were reduced with BER-LiCl to give the corresponding hydroxy esters and epoxy alcohols with excellent yields. Selective reductions of carbonyl groups were also possible in the presence of other organic compounds containing functional groups such as 1-idooctane, 1-bromooctane, caproamide, hexanenitrile, nitrobenzene, n-butyl disulfide, dimethyl sulfoxide and 1-dodecene.