• Title/Summary/Keyword: H-bond

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The Effect of Non Magnetic ion Substitution for the FeCr2-xMxS4(M=Ga, In) by Mossbauer Spectroscopy (비자성 이온 Ga, In이 치환된 유화물 스피넬의 뫼스바우어 분광학 연구)

  • Son, Bae-Soon;Kim, Sam-Jin;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.16 no.1
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    • pp.6-10
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    • 2006
  • The sulphur spinel $FeCr_{2-x}M_xS_4$(M=Ga, In) have been studied with Mossbauer spectroscopy, x-ray diffraction (XRD), and vibrating sample magnetometer. The XRB patterns for samples $FeCr_{2-x}M_xS_4$(M=Ga, In: x=0.1, 0.3) reveal a single phase, which the Ga and In ions are partially occupied to the tetrahedral (A) site. The Neel temperature for the Ga substituted samples increases from 180 to 188 K, with increase from x=0.1 to 0.3. While, it decreases from 173 to 160 K, for the In substituted samples of the x=0.1 and 0.3, respectively. The Mossbauer spectra were collected from 4.2 K to room temperature. We have analyzed the Mossbauer spectra using eight Lorentzian lines fitting method for the $FeCr_{2-x}In_xS_4$(x=0.1) at 4.2 K, yielding the 1311owing results; $H_{hf}=146.0kOe,\;{\Delta}E_Q=1.88mm/s,\;\theta=36^{\circ},\;\phi=0^{\circ},\;\eta=0.6$, and R=1.9. The Ga ions enter into the both sites octahedral (B) and tetrahedral (A), simultaneously the same amounts of Fe ions migrate from the A to the B site, this result is an agreement with XRD results, too. The ${\Delta}E_Q$ of the A and B site in Mossbauer spectra of the samples $FeCr_{2-x}Ga_xS_4$(x=0.3) are 0.83 and 2.94mm/s, respectively. While they are 0.56 and 2.36mm/s for the $FeCr_{2-x}In_xS_4$(x=0.3). It is noticeable that the ${\Delta}E_Q$ for the Ga doped samples are larger than that of the corresponding In doped samples, in spite of the larger ionic radius for In ions. The bond lengths of Cr-S, for the Ga and In doped samples (x=0.3) are found to be 2.41 and $2.43\;{\AA}$, respectively. We interpret that the larger covalence effect from the smaller bond length induces a large asymmetric charge distribution. Finally, it gives a large quadrupole interaction.

Comparison of Pretreatment Method for the Enhancement of CO2 Mineralogied Sequestration using by Serpentine (이산화탄소 광물고정화 효율 증진을 위한 사문석의 전처리 방법의 비교)

  • Jang, Na-Hyung;Park, Sung-Kwon;Shim, Hyun-Min;Kim, Hyung-Taek
    • Applied Chemistry for Engineering
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    • v.21 no.1
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    • pp.24-28
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    • 2010
  • Since the reaction of mineral fixation proceeds with a very slow rate, the pretreatment method to increases the rate of carbonation reaction should be required. To increase the reactivity of serpentine with $CO_{2}$, two pretreatment methods are performed in this study. The heat treatment is done at $630^{\circ}C$. A heat-treated serpentine shows that the strength of -OH has a lower peak in FT-IR spectrum. Chemical pretreatment is the method of leaching of magnesium from serpentine using sulfuric acid at $75^{\circ}C$ for 1 h. Because the protonation of the oxygen atoms polarizes and weakens the Mg-O-Si bond, the removal of magnesium atoms from the crystal lattice was facilitated. After performing the pre-treatment of serpentine, $CO_{2}$ fixation experiments are performed with treated serpentine in the batch reactor. Heat-treated serpentine is converted into 43% magnesite conversion, whereas untreated serpentine has 27% of magnesite conversion. Although the results of the heat-pretreatment are encouraging, this method is prohibited due to excessive energy consumption. Furthermore chemical pretreatment serpentine routes have been proposed in an effort to avoid the cost prohibitive heat pretreatment, in which the carbonation reaction was conducted at 45 atm and $25^{\circ}C$. Chemical-treated serpentine, in particularly is corresponded to a conversion of 42% of magnesite compared to 24% for the un-treated serpentine.

Fabrication and Mechanical Properties of Carbon Fiber Reinforced Polymer Composites with Functionalized Graphene Nanoplatelets (기능기화 된 그래핀 나노플레이틀릿이 첨가 된 탄소섬유 강화 고분자 복합소재의 제조 및 기계적 특성 연구)

  • Cha, Jaemin;Kim, Jun Hui;Ryu, Ho Jin;Hong, Soon H.
    • Composites Research
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    • v.30 no.5
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    • pp.316-322
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    • 2017
  • Carbon fiber is a material with excellent mechanical, electrical and thermal properties, which is widely used as a composite material made of a polymer matrix. However, this composite material has a weak point of interlaminar delamination due to weak interfacial bond with polymer matrix compared with high strength and elasticity of carbon fiber. In order to solve this problem, it is essential to use reinforcements. Due to excellent mechanical properties, graphene have been expected to have large improvement in physical properties as a reinforcing material. However, the aggregation of graphene and the weak interfacial bonding have resulted in failure to properly implement reinforcement effect. In order to solve this problems, dispersibility will be improved. In this study, functionalization of graphene nanoplatelet was proceeded with melamine and mixed with epoxy polymer matrix. The carbon fiber reinforced polymer composites were fabricated using the prepared graphene nanoplatelet/epoxy and flexural properties and interlaminar shear strength were measured. As a result, it was confirmed that the dispersibility of graphene nanoplatelet was improved and the mechanical properties of the composite material were increased.

Cure Kinetics and Mechanical Interfacial Characteristics of Zeolite/DGEBA Composites (제올라이트/DGEBA 복합재료의 경화 동력학과 기계적 계면특성)

  • Soo-Jin Park;Young-Mi Kim;Jae-Sup Shin
    • Journal of the Korean Chemical Society
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    • v.47 no.5
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    • pp.472-478
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    • 2003
  • In this work, the zeolite/diglycidylether of bisphenol A(DGEBA) systems were investigated in terms of the cure kinetics and mechanical interfacial properties of the composites. The 4, 4-diamino diphenyl methane(DDM) was used as a curing agent for epoxy. Two types of zeolite(PZ) were prepared with 15 and 35 wt% KOH treatments(15-BZ and 35-BZ, respectively) for 24 h, and their surface characteristics were studied by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction(XRD). Cure kinetics of the composites were examined in the context of differential scanning calorimetry(DSC), and mechanical interfacial properties were investigated in critical stress intensity factor($K_{IC}$) and critical strain energy release rate($G_{IC}$). In the results of XPS and XRD, sodium ion(Na) of zeolite was exchanged for potassium ion(K), resulting from the treatment of KOH. Also, $Si_{2p}/Al{2p}$ composition ratios of the treated zeolite were increased, which could be attributed to the weakening of Al-O bond in framework. Cure activation energy($E_a$) of 15-BZ composites was decreased, whereas KIC and $G_{IC}$ were increased, compared with those of the pure zeolite/DGEBA composites. It was probably accounted that the acidity of zeolite was increased by surface treatments and the cure reaction between zeolite and epoxy was influenced on the increased acidity of zeolite.

An Experimental Study on Mechanical Properties of Ultra-High Strength Powder Concrete (압축강도 300MPa 이상의 초고강도 분체콘크리트 개발을 위한 실험적 연구)

  • Jo, Byung-Wan;Yoon, Kwang-Won;Park, Jung-Hoon;Kim, Heoun
    • Journal of the Korea Concrete Institute
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    • v.22 no.3
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    • pp.287-295
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    • 2010
  • In this study, ordinary Portland cement was used and the air void was minimized by using minute quartz as the filler. In addition, steel fibers were used to mitigate the brittle failure problem associated with high strength concrete. This study is in progress to make an Ultra-high strength powdered concrete (UHSPC) which has compressive strength over 300 MPa. To increase the strength of concrete, we have compared and analyzed the compressive strengths of the concretes with different mix proportions and curing conditions by selecting quartz sand, dolomite, bauxite, ferro silicon which have diameters less than 0.6 mm and can increase the bond strength of the transition zone. Ultra-high strength powdered concrete, which is different from conventional concrete, is highly influenced by the materials in the mix. In the study, the highest compressive strength of the powdered concrete was obtained when it is prepared with ferro silicon, followed in order by Bauxite, Dolomite, and Quartz sand. The amount of ferro silicon, when the highest strength was obtained, was 110%, of the weight of the cement. SEM analysis of the UHSPC showed that significant formation of C-S-H and Tobermorite due to high temperature and pressure curing. Production of Ultrahigh strength powdered concrete which has 28-day compressive strength upto 341MPa has been successfully achieved by the following factors; steel fiber reinforcement, fine particled aggregates, and the filling powder to minimize the void space, and the reactive materials.

Efficient Mining of Frequent Subgraph with Connectivity Constraint

  • Moon, Hyun-S.;Lee, Kwang-H.;Lee, Do-Heon
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.267-271
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    • 2005
  • The goal of data mining is to extract new and useful knowledge from large scale datasets. As the amount of available data grows explosively, it became vitally important to develop faster data mining algorithms for various types of data. Recently, an interest in developing data mining algorithms that operate on graphs has been increased. Especially, mining frequent patterns from structured data such as graphs has been concerned by many research groups. A graph is a highly adaptable representation scheme that used in many domains including chemistry, bioinformatics and physics. For example, the chemical structure of a given substance can be modelled by an undirected labelled graph in which each node corresponds to an atom and each edge corresponds to a chemical bond between atoms. Internet can also be modelled as a directed graph in which each node corresponds to an web site and each edge corresponds to a hypertext link between web sites. Notably in bioinformatics area, various kinds of newly discovered data such as gene regulation networks or protein interaction networks could be modelled as graphs. There have been a number of attempts to find useful knowledge from these graph structured data. One of the most powerful analysis tool for graph structured data is frequent subgraph analysis. Recurring patterns in graph data can provide incomparable insights into that graph data. However, to find recurring subgraphs is extremely expensive in computational side. At the core of the problem, there are two computationally challenging problems. 1) Subgraph isomorphism and 2) Enumeration of subgraphs. Problems related to the former are subgraph isomorphism problem (Is graph A contains graph B?) and graph isomorphism problem(Are two graphs A and B the same or not?). Even these simplified versions of the subgraph mining problem are known to be NP-complete or Polymorphism-complete and no polynomial time algorithm has been existed so far. The later is also a difficult problem. We should generate all of 2$^n$ subgraphs if there is no constraint where n is the number of vertices of the input graph. In order to find frequent subgraphs from larger graph database, it is essential to give appropriate constraint to the subgraphs to find. Most of the current approaches are focus on the frequencies of a subgraph: the higher the frequency of a graph is, the more attentions should be given to that graph. Recently, several algorithms which use level by level approaches to find frequent subgraphs have been developed. Some of the recently emerging applications suggest that other constraints such as connectivity also could be useful in mining subgraphs : more strongly connected parts of a graph are more informative. If we restrict the set of subgraphs to mine to more strongly connected parts, its computational complexity could be decreased significantly. In this paper, we present an efficient algorithm to mine frequent subgraphs that are more strongly connected. Experimental study shows that the algorithm is scaling to larger graphs which have more than ten thousand vertices.

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Evaluate the Suitability of MC3T3 Cells to Antibacterial Ag-30CaO·70SiO2 Gel (항균성 Ag-30CaO·70SiO2 Gel의 MC3T3 세포적합성에 관한 연구)

  • Yoon, Geum-Jae;Ryu, Jae-Kyung;An, Eung-Mo;Kim, Yun-Jong;Kim, Taik-Nam;Noh, In-Sup;Cho, Sung-Beck
    • Korean Journal of Materials Research
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    • v.24 no.12
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    • pp.671-676
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    • 2014
  • It is known that bones get damaged by accidents and aging. Since the discovery of Bioglass, various kinds of ceramics have been also found to bond to living bone; some of these ceramics are already being clinically used as bone-repairing materials. In the present study, antibacterial calcium silicate gel ($Ag-30CaO{\cdot}70SiO_2$ gel) was prepared by sol-gel method in order to control the microstructure, which is related to the dissolution rate and induction period of apatite formation in body environment. In addition, biological $Ag-30CaO{\cdot}70SiO_2$ is tested. This was done to impart antimicrobial activity to the $30CaO{\cdot}70SiO_2$. Ag ion was added during sol-gel synthesis to replace the $H_2O$ added during the making of the $30CaO{\cdot}70SiO_2$ gel, which has silver solutions of various concentration. After the sol-gel process, 1N-$HNO_3$ solution was used to wash the gel when synthesizing the gel, in order to maintain the porous structure and remove PEG, water soluble polymers. Then, the apatite forming ability of the sol-gel derived CaO-$SiO_2$ gels was investigated using simulated body fluid (SBF), which had almost the same ion concentration as that of human blood plasma. The gels were analyzed by FT-IR spectroscopy, SEM observation, XRD, and fluorescent microscopy. The apatite was successfully created even after washing the gel; apatite is present in an amorphous state, and was found to affect the concentration of the Ag ion in cells in MC3T3 live & dead assay results. From these results, it is suggested that a good material that can be used to repair defects of nature bone is $Ag-30CaO{\cdot}70SiO_2$ gel.

Purification and Characterization of an Anticoagulant from Corn Silk (옥발에서 항응고물질의 정제와 특성)

  • Choi, Sang-Kyu;Choi, Hye-Seon
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.33 no.8
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    • pp.1262-1267
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    • 2004
  • An anticoagulant was purified from corn silk which has been used in Oriental Medicine. The anticoagulant from corn silk has a molecular mass of 135 kDa, and purified by 24 folds with a recovery of 11%. It was not sensitive to heat and protease treatment. However, periodate oxidation of the anticoagulant resulted in loss of activity significantly, implying that a carbohydrate was responsible for an anticoagulant activity. Galactose, glucose, mannose, fucose, glucosamine, and galactosamine were detected after acid hydrolysis by thin layer chromatography (TLC) and Bio-LC. It was confirmed that anticoagulant had OH and NH bonds by IR, supporting that the anticoagulant is composed of neutrosugar and aminosugar. Its anticoagulating activity was measured by delay in thrombin time (TT) and prothrombin time (PT) without affecting clotting by snake venom and delay in activated partial thromboplastin time (APTT). TT was more sensitive than PT, and was delayed two and three times at the concentration of 60 and 88 nM, respectively. The anticoagulating activity was reduced in the thrombin-induced clotting assay using purified fibrinogen according to the increase of fibrinogen concentration with the apparent Ki value of 23 nM.

Durability Characteristics of Concrete with Nano Level Ceramic Based Coating (나노합성 세라믹계 도장재를 도포한 콘크리트의 내구성능)

  • Kim, Seong-Soo;Lee, Jeong-Bae;Han, Seung-Woo
    • Journal of the Korea Concrete Institute
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    • v.19 no.5
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    • pp.639-646
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    • 2007
  • This study performed several tests for the durability of the concrete coated with nano synthesis ceramics which do not contain volatile organic compounds harmful to environment. The tests were adhesion test on dry and humid concrete, SEM test, MIP analysis, carbonation, chloride diffusion by electronic facilitation, freezing-thawing resistance, alkaline resistance, and brine resistance test. In the adhesion test on dry and humid concrete, nano synthesis ceramics coating produced the highest results among all the coatings tested. Nano synthesis ceramics adhered solidly on the concrete surface. The adhesive strength seemed to result from the hydrogen bond between nano synthesis ceramics which are inorganic and generated by hydrolysis and re-condensation reaction and the concrete's hydrates such as calcium silicate aluminate or calcium silicate hydrate. SEM test and MIP analysis results show surface structure with finest crevices pore in the nano synthesis ceramics coating applied concretes. In the carbonation, chloride diffusion, and freezing-thawing resistance tests, the concretes with nano synthesis ceramics coating indicated the best results. Based on these test results, further progress in application of nano synthesis ceramics coatings to various concrete structures including costal structures and sewerage arrangements can be expected.

Increase of Spacer Sequence Yields Higher Dimer $(Fab-Spacer-Toxin)_{2}$ Formation

  • Yoo Mee-Hyeon;Won Jae-Seon;Lee Yong-Chan;Choe Mu-Hyeon
    • Journal of Microbiology and Biotechnology
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    • v.16 no.7
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    • pp.1097-1103
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    • 2006
  • The divalent antibody-toxins are expected to have increased binding avidities to target cells because of the two cell-binding domains. However, previous studies showed that the refolding yield of divalent antibody-toxin is very low, and it is assumed that homodimer formation of antibody-toxin is strongly interfered by the repulsion between the two large toxin domains that come close to each other during dimer formation. In this study, B3 antibody was used as a model antibody, and its Fab domain was used to construct three different kinds of Fab divalent molecules, $[B3(Fab)-toxin]_{2}$. The monomer Fab-toxin molecules were made by fusing the Fab domain of monoclonal antibody B3 to PE38, a truncated mutant form of Pseudomonas exotoxin (PE), and a connecting sequence that contained spacer amino acid sequence (G4S)n (n=l, 2, 3) was inserted between Fab and PE38. The prepared divalent molecules were $[Fab-S\;1,\;2,\;3-PE38]_{2}\;(=[Fab-SKPCIST-KAS(G_{4}S)nGGPE-PE38]_{2}\;(n=1,\;2,\;3))$, and they are derivatives of previously studied $[Fab-H2cys-PE38]_{2}\;(=[Fab-SKPCIST-KASGGPE-PE38]_{2})$. In $[Fab-Sl,\;2,\;3-PE38]_{2}$, two Fab-S1, 2, 3-PE38 monomers were covalently linked by the disulfide bond bridge made from cysteine in the -SKPCIST- sequence. The insertion of spacer amino acids after the disulfide bridge resulted in a 12-18 fold higher yield of dimer formation than previously constructed $[Fab-Hlcys-PZ38]_{2}[7]$, 3-4-fold higher than $[Fab-ext-PZ38]_{2}[25]$. These two molecules have less amino acid spacer sequence between the disulfide bridge and PE38 domain. The design of $[Fab-PE38]_{2}$ in this study gave molecules with a higher refolding yield. The results of cytotoxicity assay showed a higher cytotoxic effect of these divalent molecules than that of the monovalent scFv-PE38 molecule.