• Title/Summary/Keyword: Molecule Structure

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Investigation of Sectional Force on Increasing of Dead Load with Bridge Deck Overlay using Electric Arc Furnace Slag Sand (전기로(電氣爐) 산화(酸化)슬래그 잔골재를 이용한 교면포장(橋面鋪裝) 시 단위질량(單位質量) 증대(增大)에 따른 슬래브 단면력(斷面力) 검토(檢討))

  • Jung, Won-Kyong;Chon, Beom Jun;Gil, Yong-Soo
    • Resources Recycling
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    • v.22 no.2
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    • pp.62-70
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    • 2013
  • Electric arc furnace slag is made in ironworks during steel refining, it is been increasing chemical and physical resistibility using ageing method of unstable state of melting steel slag for using concrete's fine aggregates. Which is been changing stable molecular structure of aggregates, it restrains moving of ion and molecule. In Korea, KS F 4571 has been prepared for using the electric arc furnace slag to concrete aggregates. In this study, Electric arc furnace slag is used in the PMC(Polymer Modified Concrete) which is applied a bridge pavement of rehabilitation, largely. In that case, this study evaluates the structural safety about increasing the specific weight. The 4-type bridges(RC slab bridge, RC rigid-frame bridge, PSC Beam bridge, Steel box girder bridge) pavement's increasing the total dead load is in 1 ~ 2%. Design moments in a load combination are increased less then 2%. safety factor is decreased less than 3%. Therefore, the structural safety has no problem for applying the electric arc furnace slag within PMC in bridge.

A Case Study on the Visually Impaired Secondary Students' Conception of the Changes of State of Water (시각장애 중고등학생의 물의 상태변화 개념에 대한 사례 연구)

  • Kim, Hak Bum;Cha, Jeongho
    • Journal of the Korean Chemical Society
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    • v.62 no.1
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    • pp.43-51
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    • 2018
  • In this study, visually impaired secondary students' conception of "changes of state of water" was explored. Science inquiry activity for students with visual impairments was implemented to 16 middle school students and 15 high school students from school for the blind. 14 of them were totally blind, 13 had low vision and the others were not identified. Inquiry activities were conducted by communicating with the researcher while students were individually exploring the molecular models of water and ice developed for the study. After the exploration, students were asked to explain the concept of changes of state of water with the model they explored. Opinion on the need and the usability of this kind of tactile model was also asked to them. All conversations were recorded, transcribed, and analyzed. As a result, students with visual impairments answered exactly about the materials used for the model and their numbers. However, they didn't know what the model stood for. They had experiences of learning molecule of water and changes of state of water, but it was a phenomenon and superficial understanding. Students got to understand the molecular structures of water and ice, and had a positive perception on the need and the usability of the model. Based on these results, educational implications were discussed.

Endothermic Forster Energy Transfer from DPVBi to BCzVBi in High Efficient Blue Organic Light-Emitting Diodes (고효율 청색 유기발광다이오드의 DPVBi와 BCzVBi 사이에서 발생하는 흡열 페르스터 에너지전이)

  • Kim, You-Hyun;Lee, Sang-Youn;Song, Wook;Shin, Sung-Sik;Ryu, Dae-Hyun;Wood, Richard;Yatulis, Jay;Kim, Woo-Young
    • Journal of the Korean Chemical Society
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    • v.54 no.3
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    • pp.291-294
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    • 2010
  • In this study, we demonstrated high-efficiency blue organic light-emitting diodes (OLEDs) employing BCzVBi as a blue fluorescent dye doped into blue host material, DPVBi with various concentration. The optimized blue OLED device having high-efficiency was constructed with structure of NPB (500 ${\AA}$) / DPVBi:BCzVBi-6% (150 ${\AA}$)/$Alq_3$(300 ${\AA}$) / Liq (20 ${\AA}$) / Al (1000 ${\AA}$). The maximum luminescence of blue OLED was 13200 cd/$m^2$ at 13.8 V and current density and maximum efficiency were 26.4 mA/$cm^2$ at 1000 cd/$m^2$ and 4.24 cd/A at 3.9 V, respectively. Luminous efficiency shows two times higher than comparing with non-doped BCzVBi blue OLED whereas $CIE_{x,y}$ coordinate was similar with bare DPVBi blue OLED such as (0.16, 0.19). Electroluminescence of BCzVBi-6% doped blue OLED has two major peaks at 445 nm and 470 nm whereas pure DPVBi's blue peak appears at 456 nm and it is happened through endothermic Forster energy transfer by molecule's vibration between LUMO of DPVBi as host material and LUMO of BCzVBi as dopant in device.

Spectroscopic Identifications and Phase Equilibria of THF + 3-OH THF + CH4 Clathrate Hydrates (삼성분계 THF + 3-OH THF + CH4 크러스레이트 하이드레이트의 상평형 거동 해석 및 분광학적 분석)

  • Kim, Heejoong;Ahn, Yun-Ho;Moon, Seokyoon;Hong, Sujin;Park, Youngjune
    • Korean Chemical Engineering Research
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    • v.55 no.3
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    • pp.353-357
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    • 2017
  • In this study, the inclusion phenomena of tetrahydrofuran + 3-hydroxytetrahydrofuran + $CH_4$ clathrate hydrates were explored via thermodynamic and spectroscopic approaches. The phase equilibria of the double hydrates - THF + $CH_4$ and 3-OH THF + $CH_4$ clathrate hydrates - were determined by pressure-temperature trace during hydrate formation and dissociation, and the result revealed that the equilibrium pressures were shifted to lower pressure region compared to pure $CH_4$ hydrate. The powder X-ray diffraction patterns revealed that the double hydrates of THF + 3-OH THF formed structure II type clathrate hydrates with $CH_4$. The dispersive Raman spectra of the double clathrate hydrates also exhibited that $CH_4$ can be trapped in both $5^{12}6^4$ and $5^{12}$ cages whereas THF and 3-OH THF were encaged in $5^{12}6^4$ cage.

Fabrication and Characterization of High Performance Green OLEDs using $Alq_3$-C545T Systems ($Alq_3$-C545T시스템을 이용한 고성능 녹색 유기발광다이오드의 제작과 특성 평가)

  • Jang Ji-Geun;Kim Hee-Won;Shin Se-Jin;Kang Eui-Jung;Ahn Jong-Myong;Lim Yong-Gyu
    • Journal of the Microelectronics and Packaging Society
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    • v.13 no.1 s.38
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    • pp.51-55
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    • 2006
  • The green emitting high performance OLEDs using the $Alq_3$-C545T fluorescent system have been fabricated and characterized. In the device fabrication, 2-TNATA [4,4',4'-tris(2-naphthylphenyl-phenylamino)-triphenylamine] as a hole injection material and NPB [N,N'-bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine] as a hole transport material were deposited on the ITO(indium thin oxide)/glass substrate by vacuum evaporation. And then, green color emission layer was deposited using $Alq_3$ as a host material and C-545T[10-(2-benzothiazolyl)-1,1,7,7- tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-[1]/benzopyrano[6,7,8-ij]-quinolizin-11-one] as a dopant. Finally, small molecule OLEDs with structure of ITO/2-TNATA/NPB/$Alq_3$:C545T/$Alq_3$/LiF/Al were obtained by in-situ deposition of $Alq_3$, LiF and Al as the electron transport material, electron injection material and cathode, respectively. Green OLEDs fabricated in our experiments showed the color coordinate of CIE(0.29, 0.65) and the maximum power efficiency of 7.3 lm/W at 12 V with the peak emission wavelength of 521 nm.

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3D-QSAR Analyses on the Inhibition Activity of 4-($R_1$)-Benzyl Alcohol and 4-($R_2$)-Phenol Analogues Against Tyrosinase (4-($R_1$)-Benzyl alcohol 및 4-($R_2$)-Phenol 유도체들의 Tyrosinase 활성 저해에 대한 3D-QSAR 분석)

  • Kim, Sang-Jin;Lee, Myoung-Hee
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.35 no.4
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    • pp.271-276
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    • 2009
  • The 3-dimensional quantitative structure-activity relationships (3D-QSARs) models between the substituents with changing groups ($R_1$ & $R_2$) of 4-($R_1$)-benzyl alcohol and 4-($R_2$)-phenol derivatives as substrate molecule and their inhibitory activities against tyrosinase were derived and discussed quantitatively. The optimized CoMSIA 2 model have best predictability and fitness ($r^2\;=\;0.858$ & $q^2\;=\;0.951$). The contour maps of optimized CoMSIA 2 model showed that, the inhibitory activities of the analogues against tyrosinase were expected to increase when hydrophobic favor, negative charge favor, steric disfavor and hydrogen bond donor disfavor groups were substituted at the $R^2$ position. When the positive charge and the hydrogen bond donor favor groups were substituted at the $R_1$ position, it is predicted that the substituents will be able to increase the inhibitory activity. However, hydrogen bond acceptor did not affect inhibitory activities of tyrosinase.

Comparative Molecular Field Analyses on the Fungicidal Activities of N-phenylthionocarbamate Derivatives based on Different Alignment Approaches (상이한 정렬에 따른 N-phenylthionocarbamate 유도체들의 살균활성에 관한 비교 분자장 분석)

  • Sung, Nack-Do;Soung, Min-Gyu;You, Jae-Won;Jang, Seok-Chan
    • The Korean Journal of Pesticide Science
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    • v.10 no.3
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    • pp.157-164
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    • 2006
  • Three dimensional quantitative structure-activity relationships (3D-QSARs) for the fungicidal activities against Rhizoctonia solani (RS) and Phytophthora capsici (PC) by N-phenyl substituents(X) of N-phenylthionocarbamate derivatives were studied quantitatively using comparative molecular field analysis (CoMFA) methodology based on different alignment approaches. Statistical quality of CoMFA models with field fit alignment were slightly higher than that of atom based fit alignment. The optimized CoMFA models (RS: RF2 & PC: PF2) were derived from field fit alignment and combination of CoMFA fields. And the statistical results of the two models showed the best predictability of the fungicidal activities based on the cross-validated value $q^2$ ($r^2_{cv.}$ =RS: 0.557 & PC: 0.676) and non-cross-validated value ($r^2_{ncv.}$ =RS: 0.954 & PC: 0.968), respectively. The selective fungicidal activities between two fungi were dependence upon the electrostatic field of substrate molecule. Therefore, the fungicidal activities from CoMFA contour maps showed that the fungicidal activity will be able to increased according to the modification of X-substituents on the substrate molecules.

N-phenyl Substitutent Effect on the Herbicidal Activity of 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide Derivatives against Rice Plant with Pre- and Post-emergence (발아 전 후 벼의 약해에 미치는 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide 유도체들 중 N-phenyl치환기의 효과)

  • Lee, Sang-Ho;Ryu, Jae-Wook;Woo, Jae-Chun;Koo, Dong-Whan;Kim, Dae-Whang;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.43 no.1
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    • pp.52-56
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    • 2000
  • The influence of the 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl- propionamide derivatives on the herbicide activities against rice plant with pre-emergence and post-emergence in down land were examined and the structure activity relationship (SAR) were analyzed by Free-Wilson and Hansch method. In pre-emergence, the SAR approach is shown that the optimal, $({\pi})_{opt}=0.91$, hydrophobicity with electron donating effect of the ortho substituted mono substituents and 2,3,4-substituted three substituents were found to be contribute the herbicidal activity. Whereas, in post-emergence, the optimal, ({\pi})_{opt}=0.50$, hydrophobicity with electron withdrawing effect of meta substituted mono subsituents and 2,3-substituted two substituents were found to be contribute the herbicide activity. The herbicide activities with post-emergence more increase than that of pre-emergence. It is assumed from the SAR equations that the 2-methyl-3-methoxy-4-cyano group substituent is selected as the most lowest herbicide activity against rice plant with post-emergence in green house. The hydrolysis reaction was proceeded through nucleophilic addition-elimination (Ad_{Nu-E})$ with the orbital control between LUMO of substrate and HOMO of water molecule. And molecular electrostatic potential (MEP) of none (H) substituent was discussed.

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Synthesis of High-Quality Single-Walled Carbon Nanotube Fibers by Vertical CVD (수직 가열로를 이용한 고순도 단일벽 탄소나노튜브 섬유의 합성)

  • Kim, Tae-Min;Song, Woo-Seok;Kim, Yoo-Seok;Kim, Soo-Youn;Choi, Won-Chel;Park, Chong-Yun
    • Journal of the Korean Vacuum Society
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    • v.19 no.5
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    • pp.377-384
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    • 2010
  • Many routes have been developed for the synthesis of signle-walled carbon nanotubes (SWCNTs). We spun fibers of SWCNTs directly from vertical furnace using a liquid source of carbon and an iron-contained molecule. The solution was prepared by ethanol as a carbon source, in which ferrocene as a catalyst, thiophene were dissolved. It was then injected from the top of the furnace into hot zone with hydrogen as a carrier gas. We successfully synthesized high-quality SWCNTs by adjusting the various experimental conditions, such as concentration of ferrocene, solution injection rate, concentration of thiophene, and hydrogen flow rate. Measurement of Raman spectroscopy, scanning electron microscopy, and transmission electron microscopy were carried out to find the optimized conditions. The synthesized SWCNTs (1.16~1.64 nm) appeared a bundle structure and well-aligned parallel to the direction of furnace. These results also provide an simple way for high-quality SWCNTs mass production and fabricating direct spining SWCNTs fiber. It will allow one-step production of SWCNTs fiber with potentially excellent properties and wide-range applications.

Increased Sensitivity of Carbon Nanotube Sensors by Forming Rigid CNT/metal Electrode

  • Park, Dae-Hyeon;Jeon, Dong-Ryeol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.348-348
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    • 2011
  • Carbon nanotube (CNT) field effect transistors and sensors use CNT as a current channel, of which the resistance varies with the gate voltage or upon molecule adsorption. Since the performance of CNT devices depends very much on the CNT/metal contact resistance, the CNT/electrode contact must be stable and the contact resistance must be small. Depending on the geometry of CNT/electrode contact, it can be categorized into the end-contact, embedded-contact (top-contact), and side-contact (bottom-contact). Because of difficulties in the sample preparation, the end-contact CNT device is seldom practiced. The embedded-contact in which CNT is embedded inside the electrode is desirable due to its rigidness and the low contact resistance. Fabrication of this structure is complicated, however, because each CNT has to be located under a high-resolution microscope and then the electrode is patterned by electron beam lithography. The side-contact is done by depositing CNT electrophoretically or by precipitating on the patterned electrode. Although this contact is fragile and the contact resistance is relatively high, the side-contact by far has been widely practiced because of its simple fabrication process. Here we introduce a simple method to embed CNT inside the electrode while taking advantage of the bottom-contact process. The idea is to utilize a eutectic material as an electrode, which melts at low temperature so that CNT is not damaged while annealing to melt the electrode to embed CNT. The lowering of CNT/Au contact resistance upon annealing at mild temperature has been reported, but the electrode in these studies did not melt and CNT laid on the surface of electrode even after annealing. In our experiment, we used a eutectic Au/Al film that melts at 250$^{\circ}C$. After depositing CNT on the electrode made of an Au/Al thin film, we annealed the sample at 250$^{\circ}C$ in air to induce eutectic melting. As a result, Au-Al alloy grains formed, under which the CNT was embedded to produce a rigid and low resistance contact. The embedded CNT contact was as strong as to tolerate the ultrasonic agitation for 90 s and the current-voltage measurement indicated that the contact resistance was lowered by a factor of 4. By performing standard fabrication process on this CNT-deposited substrate to add another pair of electrodes bridged by CNT in perpendicular direction, we could fabricate a CNT cross junction. Finally, we could conclude that the eutectic alloy electrode is valid for CNT sensors by examine the detection of Au ion which is spontaneously reduced to CNT surface. The device sustatined strong washing process and maintained its detection ability.

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