• Title/Summary/Keyword: Chemical structure analysis

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Topological Analysis on the Dispersion Polymerization of Styrene in Ethanol

  • 손정모;박형석
    • Bulletin of the Korean Chemical Society
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    • v.17 no.3
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    • pp.245-253
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    • 1996
  • A topological theory has been introduced to explain and evaluate the fractional volumes of system materials, the change of the weight and concentration of monomer molecules, molecular weight distribution, and interaction functions of polymer-polymer and polymer-oligomer, etc. for dispersion polymerization. The previous theory of Lu et al. has offered only an incomplete simulation model for dispersion polymer systems, whereas our present one gives a general theoretical model applicable to all the polymerization systems. The theory of Lu et al. considered only the physical property term caused by interaction between matters of low molecular weight (i.e., diluent, monomer, and oligomer) and polymer particles without dealing with physical properties caused by the structure of polymer networks in polymer particles, while our theory deals with all physical effect possible, caused by the displacement of not only entangled points but also junction points in polymer particles. The theoretically predictive values show good agreement with the experimental data for dispersion polymerization systems.

Cycloplatinated Complexes of Thiosemicarbazones. Synthesis and Crystal Structure of [$Ph_2PC_6H_4CHNNC(S)NHCH_3PtCl$]

  • 유동원;강상욱;고재정;최문근
    • Bulletin of the Korean Chemical Society
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    • v.18 no.3
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    • pp.305-310
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    • 1997
  • The synthesis and characterization of the platinum heterocyclic carboxaldehyde thiosemicarbazone complexes [NC5H4CRNNC(S)NHR'PtCl] (R=H, R'=CH3(1); R=CH3, R'=CH3(2); R=CH3, R=H(3)) and diphenylphosphinophenyl carboxaldehyde thiosemicarbazone complexes [Ph2PC6H4CHNNC(S)NHRPtCl] (R=CH3(5); R=iC3H7(6); R=Ph(7)) are described. Compounds 1-3 were prepared by reaction of Pt(SEt2)2Cl2 with 2-acetylpyridine-4-alkylthiosemicarbazone in the presence of NEt3. Compounds 5-7 were prepared using Pt(SEt2)2Cl2 in toluene with diphenylphosphinophenyl carboxaldehyde alkylthiosemicarbazone. The compounds have been characterized by microanalysis, NMR (1H, 13C, 31P) spectroscopy, and single-crystal X-ray diffraction. X-ray single crystal diffraction analysis reveals that compound 5 is a mononuclear platinum compound with P,N,S-coordination mode.

Topological Analysis on the Modulus and Network Structure of Miscible Polymer Blends

  • 손정모;박형석
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.169-180
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    • 1995
  • A topological theory is introduced to extend Tsenoglou's theory to polymer blends having temporary and permanent networks composed of multicomponent polymers which have miscible and flexible chains. The topological theory may estimate the values of free elastic energy, the molecular weight between entanglements, and the equilibrium shear moduli, and it may establish more correctly the topological relations among these physical quantities. Through such introduction of the topological theory, there can be topologically analyzed the mixing law for the rubbery plateau modulus of a fluid polymer blend, and there can be considered the topological relationship to the equilibrium modulus of an interpenetrating polymer network containing trapped entanglements and dangling segments. The theoretically predictive values are compared and show good agreement with the experimental data for several miscible polymer blends.

Evaluation of limit load analysis for pressure vessels - Part II: Robust methods

  • Chen, Xiaohui;Gao, Bingjun;Wang, Xingang
    • Steel and Composite Structures
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    • v.23 no.1
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    • pp.131-142
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    • 2017
  • Determining limit load for a pressure bearing structure using elastic-plastic finite element analysis was computationally very expensive. A series of robust methods using elastic modulus adjustment techniques (EMAP) to identify the limit load directly were proposed. The numerical implementation of the robust method had the potential to be an attractive alternative to elastic-plastic finite element analysis since it was simple, and required less computational effort and computer storage space. Another attractive feature was that the method provided a go/no go criterion for the limit load, whereas the results of an elastic-plastic analysis were often difficult to interpret near the limit load since it came from human sources. To explore the performance of the method further, it was applied to a number of configurations that include two-dimensional and three-dimensional effects. In this study, limit load of cylinder with nozzle was determined by the robust methods.

Salternamide E from a Saltern-derived Marine Actinomycete Streptomyces sp.

  • Kim, Seong-Hwan;Shin, Yoonho;Lee, Sang Kook;Shin, Jongheon;Oh, Dong-Chan
    • Natural Product Sciences
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    • v.21 no.4
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    • pp.273-277
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    • 2015
  • Comprehensive chemical analysis of extracts and fractions of marine actinomycete strains led to the discovery of a new minor secondary metabolite, salternamide E (1), from a saltern-derived halophilic Streptomyces strain. The planar structure of salternamide E (1) was elucidated by a combinational analysis of spectroscopic data including NMR, MS, UV, and IR. The absolute configuration of salternamide E (1) was determined by circular dichroism spectroscopic analysis. Salternamide E displayed weak cytotoxicity against various human carcinoma cell lines.

Synthesis of Hollow Carbon Microspheres with Mesoporous Shell and Vacant Core Structure and Their Electrochemical Properties (중간세공을 갖는 껍질로 구성된 속이 빈 마이크로 탄소입자의 합성 및 이들의 전기화학적 특성)

  • Lee, Yae Won;Yang, Hee Chun;Kim, Geon-Joong
    • Applied Chemistry for Engineering
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    • v.27 no.4
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    • pp.449-454
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    • 2016
  • In this study, highly monodispersed porous carbon microcapsules with a hollow core were synthesized using polystyrene (PS) beads as a hard template. The surface of PS was first modified with polyvinylpyrollidone (PVP) for the easy attachment of inorganic silica sol. After coating the surface of PVP modified PS microspheres with SBA-16 sol, the carbon microcapsules with a hollow macroporous core were fabricated through reverse replication method by filling carbon sources in the mesopores of silica mold. The hollow carbons having a mesoporous shell structure and narrow particle size distribution could be obtained after the carbonization of carbon source and the dissolution of silica mold by HF solution. The mesoporous characteristics and electrochemical properties of hollow carbon microcapsules were characterized by XRD, SEM, TEM, $N_2$ adsorption/desorption analysis and cyclic voltammetry. They showed the high electric conductivity and capability for use as efficient electro-materials such as a supercapacitor.

Isolation and Structure Elucidation, Molecular Docking Studies of Screlotiumol from Soil Borne Fungi Screlotium rolfsii and their Reversal of Multidrug Resistance in Mouse Lymphoma Cells

  • Ahmad, Bashir;Rizwan, Muhammad;Rauf, Abdur;Raza, Muslim;Azam, Sadiq;Bashir, Shumaila;Molnar, Joseph;Csonka, Akos;Szabo, Diana
    • Asian Pacific Journal of Cancer Prevention
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    • v.17 no.4
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    • pp.2083-2087
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    • 2016
  • A new compound namely (13-(3,3-dihydroxypropyl)-1,6-dihydroxy-3,4-dihydro-1H-isochromen-8(5H)-one (1) was isolated from an ethyl acetate extract of the borne fungi Screlotium rolfsii. Its chemical structure was elucidated by spectroscopic analysis. Screlotiumol 1 were evaluated for their effects on the reversion of multidrug resistant (MDR) mediated by P-glycoprotein (P-gp) of the soil borne fungi. The multidrug resistant P-glycoprotein is a target for chemotherapeutic drugs in cancer cells. In the present study rhodamine-123 exclusion screening test on human mdr1 gene transfected mouse gene transfected L5178 and L5178Y mouse T-cell lymphoma which showed excellent MDR reversing effect in a dose dependent manner against mouse T-lymphoma cell line. Moreover, molecular docking studies of compound-1 also showed better results as compared with the standard. Therefore the preliminary results obtained from this study suggest that screlotiumol 1 could be used as a potential agent for the treatment of cancer.

Organotitanium Chemistry (I). Synthesis and Molecular Structure of Dichlorodicarboxylatotitanium (IV) (유기-티탄 화학 (제1보). Dichlorodicarboxylatotitanium (IV)의 합성 및 분자구조)

  • Young Sun Uh;Hoosung Lee;Youn Soo Sohn
    • Journal of the Korean Chemical Society
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    • v.17 no.2
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    • pp.115-121
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    • 1973
  • Crystalline products were obtained when$TiCl_4$ was reacted in dichloromethane with acetic, propionic, crotonic, benzoic, furoic and salicylic acids. Chemical analysis has shown that these were all dichlorodicarboxylatotitanium (IV). Cryoscopy of dichlorodipropionatotitanium (IV) indicated the carboxylato-complexes are dimeric. In the IR spectra of these complexes two strong bands both assigned to asymmetric carbonyl stretching vibration have been observed in the region$1500 - 1700cm^{-1}$ and the NMR spectrum of dichlorodipropionatotitanium (IV) has also shown two triplets and two quartets, which indicate that there are two chemically unequivalent carboxylato-ligands in the dimer $[TiCl_2(OOCR)_2]_2$. Their molecular structure was proposed to be bis-carboxo-bridged dimer.

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Synthesis and Oxygen Reduction Reaction Characteristics of Multi-Walled Carbon Nanotubes Supported PtxM(1-x) (M = Co, Cu, Ni) Alloy Catalysts for Polymer Electrolyte Membrane Fuel Cell (다중벽 탄소 나노 튜브에 담지한 PtxM(1-x)(M = Co, Cu, Ni) 합금촉매의 제조 및 고분자 전해질 연료전지에서 산소환원 특성)

  • Jung, Dong-Won;Park, Soon;Ahn, Chi-Yeong;Choi, Seong-Ho;Kim, Jun-Bom
    • Korean Journal of Materials Research
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    • v.19 no.12
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    • pp.667-673
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    • 2009
  • The electrocatalytic characteristics of oxygen reduction reaction of the $PtxM_{(1-x)}$ (M = Co, Cu, Ni) supported on multi-walled carbon nanotubes (MWNTs) have been evaluated in a Polymer Electrolyte Membrane Fuel Cell (PEMFC). The $Pt_xM_{(1-x)}$/MWNTs catalysts with a Pt : M atomic ratio of about 3 : 1 were synthesized and applied to the cathode of PEMFC. The crystalline structure and morphology images of the $Pt_xM_{(1-x)}$ particles were characterized by X-ray diffraction and transmission electron microscopy, respectively. The results showed that the crystalline structure of the Pt alloy particles in Pt/MWNTs and $Pt_xM_{(1-x)}$/MWNTs catalysts are seen as FCC, and synthesized $Pt_xM_{(1-x)}$ crystals have lattice parameters smaller than the pure Pt crystal. According to the electrochemical surface area (ESA) calculated with cyclic voltammetry analysis, $Pt_{0.77}Co_{0.23}$/MWNTs catalyst has higher ESA than the other catalysts. The evaluation of a unit cell test using Pt/MWNTs or $Pt_xM_{(1-x)}$/MWNTs as the cathode catalysts demonstrated higher cell performance than did a commercial Pt/C catalyst. Among the MWNTs-supported Pt and $Pt_xM_{(1-x)}$ (M = Co, Cu, Ni) catalysts, the $Pt_{0.77}Co_{0.23}$/MWNTs shows the highest performance with the cathode catalyst of PEMFC because they had the largest ESA.

Synthesis of CdS with Graphene by CBD(Chemical Bath Deposition) Method and Its Photocatalytic Activity

  • Pawar, R.C.;Lee, Jin-Yong;Kim, Eun-Jeong;Kim, Hyungsub;Lee, Caroline Sunyong
    • Korean Journal of Materials Research
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    • v.22 no.10
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    • pp.504-507
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    • 2012
  • Synthesis of RGO (reduced graphene oxide)-CdS composite material was performed through CBD (chemical bath deposition) method in which graphene oxide served as the support and Cadmium Sulfate Hydrate as the starting material. Graphene-based semiconductor photocatalysts have attracted extensive attention due to their usefulness for environmental and energy applications. The band gap (2.4 eV) of CdS corresponds well with the spectrum of sunlight because the crystalline phase, size, morphology, specic surface area and defects, etc., of CdS can affect its photocatalytic activity. The specific surface structure (morphology) of the photocatalyst can be effective for the suppression of recombination between photogenerated electrons and holes. Graphene (GN) has unique properties such as a high value of Young's modulus, large theoretical specific surface area, excellent thermal conductivity, high mobility of charge carriers, and good optical transmittance. These excellent properties make GN an ideal building block in nanocomposites. It can act as an excellent electron-acceptor/transport material. Therefore, the morphology, structural characterization and crystal structure were observed using various analytical tools, such as X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. From this analysis, it is shown that CdS particles were well dispersed uniformly in the RGO sheet. Furthermore, the photocatalytic property of the resulting RGO-CdS composite is also discussed in relation to environmental applications such as the photocatalytic degradation of pollutants. It was found that the prepared RGO-CdS nanocomposites exhibited enhanced photocatalytic activity as compared with that of CdS nanoparticles. Therefore, better efficiency of photodegradation was found for water purification applications using RGO-CdS composite.