• Title/Summary/Keyword: Non-structure

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Molecular Holographic QSAR Model on the Herbicidal Activities of New Novel 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide Derivatives and Prediction of Higher Activity Compounds (새로운 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl-propionamide 유도체들의 제초활성에 관한 HQSAR 모델과 높은 활성 화합물의 예측)

  • Sung, Nack-Do;Kim, Dae-Whang;Jung, Hoon-Sung
    • The Korean Journal of Pesticide Science
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    • v.9 no.4
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    • pp.279-286
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    • 2005
  • The herbicidal activities against pre-emergence barnyard grass (Echinochloa crus-galli) by a series of new 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpopionamide derivatives as substrate molecule were studied using molecular holographic (H) quantitative structure activity relationships (HQSAR) methodology. From the based on the findings, the higher herbicidal active compounds are predicted by the derived HQSAR model. The best HQSAR model (VI-1) was derived from fragment distinction combination of atoms/bonds in fragment size, $7{\sim}10$bin. The herbicidal activities from atomic contribution maps showed that the activity will be able to increased according to the R-substituents variation of the N-phenyl ring and change of 6-chloro-2-benzoxazolyloxy group. Based on the results, the statistical results of the best HQSAR model (VI-1) exhibited the best pedictability and fitness for the herbicidal activities based on the cross-validated value ($q^2=0.646$) and non cross-validated value ($r^2_{ncv.}=0.917$), respectively. From the graphical analyses of atomic contribution maps, it was revealed that the lowest herbicidal activitics depends upon the 4-(6-chloro-2-benzoxazolyloxy)phenoxy group ($pred.pI_{50}=-3.20$). Particularly, the R=4-fluoro, X=isobutoxy substituent (P2) of (X)-phenoxy-N-(R)-phenylpropionamide derivative is predicted as the highest active compound ($pred.pI_{50}=9.12$).

A STUDY ON COMPARISON OF VARIOUS KINDS OF CLASSII AMALGAM CAVITIES USING FINITE ELEMENT METHOD (유한요소법을 이용한 수종 2급 아말감 와동의 비교연구)

  • Seok, Chang-In;Um, Chung-Moon
    • Restorative Dentistry and Endodontics
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    • v.20 no.2
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    • pp.432-461
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    • 1995
  • The basic principles in the design of Class II amalgam cavity preparations have been modified but not changed in essence over the last 90 years. The early essential principle was "extension for prevention". Most of the modifications have served to reduce the extent of preparation and, thus, increase the conservation of sound tooth structure. A more recent concept relating to conservative Class II cavity preparations involves elimination of occlusal preparation if no carious lesion exists in this area. To evaluate the ideal ClassII cavity preparation design, if carious lesion exists only in the interproximal area, three cavity design conditions were studied: Rodda's conventional cavity, simple proximal box cavity and proximal box cavity with retention grooves. In this study, MO amalgam cavity was prepared on maxillary first premolar. Three dimensional finite element models were made by serial photographic method. Linear, eight and six-nodal, isoparametric brick elements were used for the three dimensional finite element model. The periodontal ligament and alveolar bone surrounding the tooth were excluded in these models. Three types model(B option, Gap option and R option model) were developed. B option model was assumed perfect bonding between the restoration and cavty wall. Gap option model(Gap distance: $2{\mu}m$) was assumed the possibility of play at the interface simulated the lack of real bonding between the amalgam and cavity wall (enamel and dentin). R option model was assumed non-connection between the restoration and cavty wall. A load of 500N was applied vertically at the first node from the lingual slope of the buccal cusp tip. This study analysed the displacement, 1 and 2 direction normal stress and strain with FEM software ABAQUS Version 5.2 and hardware IRIS 4D/310 VGX Work-station. The results were as followed. 1. Rodda's cavity form model showed greater amount of displacement with other two models. 2. The stress and strain were increased on the distal marginal ridge and buccopulpal line angle in Rodda's cavity form model. 3. The stress and strain were increased on the central groove and a part of distal marginal ridge in simple proximal box model and proximal box model with retention grooves. 4. With Gap option, Rodda's cavity form model showed the greatest amount of the stress on distal marginal ridge followed by proximal box model with retention grooves and simple proximal box model in descending order. 5. With Gap option, simple proximal box model showed greater amount of stress on the central groove with proximal box model with retention grooves. 6. Retention grooves in the proximal box played the role of supporting the restorations opposing to loads.

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Conformation and Reactivity of Herbicidal Benzenesulfonyl urea Compounds (제초성 Benzenesulfonyl urea계 화합물의 형태와 반응성)

  • Yu, Seong-Jae;Lee, Sang-Ho;Ko, Young-Kwan;Sung, Nak-Do
    • Applied Biological Chemistry
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    • v.39 no.3
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    • pp.235-240
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    • 1996
  • The most stable stereo conformer in non substituted benzenesulfonyl urea, 1 was the II-keto form, which the molecule was intramolecular associated(H-bond) coformer between imide group and N atom on the Pyrimidine ring. The hydrolytic degradation of 2 derivatives were proceeds by nucleophilic addition reaction(p<0) with orbital controlled intermolecular interaction between LUMO with electron donating$(\sigma<0)$ groups of 2 and HOMO of water molecule. N-(4,6-disub. pyrimid ine-2-yl)aminocarbonyl-2-(1,1-dimethoxy-2-fluoro)ethylbenze nesulfonamides,3 and N-(4,6-disub. triazine-2-yl)aminocarbonyl-2-(1,1-d imethoxy-2-fluoro)ethylbenzenesulfonamides,4 we re synthesized and their herbicidal activities in vivo against bulrush (Scirpus juncoides.) were measured by the pot test under the paddy conditions And the structure activity relationships(SAR) were analyzed by the multiple regression technique. The results of the SAR suggested that the 3 and 4 derivatives indicated dependent on the hydrophobicity of the 4,6-disubstituents and the heterocyclo group, where the optimal value $((log\;P)_{opt.}=0.89)$ of hydrophobicity was 0.89. The pyrimidine substituents, 3 showed higher herbicidal activity than the triazine substituents, 4. Among them, 4,6-dimethoxypyrimidine substituent, 3a showed the best herbicidal activity.

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Herbicidal Activity and Persistency in Aqueous Solution of Ortho Disubstituted Benzenesulfonyl Urea Derivatives (새로운 Ortho 이치환 Benzenesulfonyl Urea 유도체의 제초활성과 수용액중의 잔류성)

  • Kim, Yong-Jip;Chang, Hae-Sung;Kim, Dae-Whang;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.38 no.6
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    • pp.570-576
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    • 1995
  • The new sixteen herbicidal N-2-(1-hydroxy-2-fluoroethyl)-6-substituted(X)-benzenesulfonyl-N'-4,6-dimethoxypyrimidinyl-2-yl urea derivatives(S) were synthesized and thier herbicidal activities$(pI_{50})$ in vivo against rice(Orysa Sativa L.), Barnyard grass(Echninochloa orizicola) and Bulrush(Scirpus juncoides) were measured by the pot test under paddy conditions. The structure activity relationship(SAR) were studied using the physicochemical parameters of ortho-substituents(X) and hydrolysis rate constant(logk) and herbicidal activities by the multiple regression technique. The SAR suggested that the herbicidal activities were more dependant on the hydrolysis rate constant(logk>0) than the steric constants $(Es, small width($B_4$) and length($L_1$). Among them, halogens(2 & 5), methyl(15) and non(H) substituent(1) showed higher herbicidal activity for weeds which was not tolerent to rise and weeds. The herbicidal activity was increased and the persistency in aqueous solution was decreased by electron donating(${\sigma}0<0$) groups as ortho-substituent(X). From the relationship equation between herbicidal activity and hydrolysis rate constant, it was assumed that the both reactions would be proceeds with similar process. And the conditions on the ortho substituents to show higher herbicidal activity and the persistency in aqueous solution were also discussed.

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Hydrological Studies on the flood and Risk of failure of the Hydraulic Structures(Ⅰ) -On the annual maximum series- (水利構造物의 破壞危險度와 設計洪水量에 관한 水文學的 硏究(Ⅰ) -年最高値 系列을 中心으로-)

  • Lee, Soon-Hyuk;Park, Myeong-Keun
    • Magazine of the Korean Society of Agricultural Engineers
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    • v.27 no.2
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    • pp.23-37
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    • 1985
  • This studies were carried out to get characteristics of frequency distribution, probable flood flows according to the return periods, and the correlation between return periods and those length of records affect the Risk of failure in the annual maximum series of the main river systems in Korea. Especially, Risk analysis according to the levels were emphasized in relation to the design frequency factors for the different watersheds. Twelve watersheds along Han, Geum, Nak Dong, Yeong San and Seom Jin river basin were selected as studying basins. The results were analyzed and summarized as follows. 1. Type 1 extremal distribution was newly confirmed as a good fitted distribution at selected watersheds along Geum and Yeong San river basin. Three parameter lognormal Seom Jin river basin. Consequently, characteristics of frequency distribution for the extreme value series could be changed in connection with the watershed location even the same river system judging from the results so far obtained by author. 2. Evaluation of parameters for Type 1 extremal and three parameter lognormal distribution based on the method of moment by using an electronic computer. 3. Formulas for the probable flood flows were derived for the three parameter lognormal and Type 1 extremal distribution. 4. Equations for the risk to failure could be simplified as $\frac{n}{N+n}$ and $\frac{n}{T}$ under the condition of non-parametric method and the longer return period than the life of project, respectively. 5. Formulas for the return periods in relation to frequency factors were derived by the least square method for the three parameter lognormal and Type 1 extremal distribution. 6. The more the length of records, the lesser the risk of failure, and it was appeared that the risk of failure was increasing in propotion to the length of return periods even same length of records. 7. Empirical formulas for design frequency factors were derived from under the condition of the return periods identify with the life of Hydraulic structure in relation to the risk level. 8. Design frequency factor was appeared to be increased in propotion to the return periods while it is in inverse proportion to the levels of the risk of failure. 9. Derivation of design flood including the risk of failure could be accomplished by using of emprical formulas for the design frequency factor for each watershed.

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Preparation and Oxygen Permeability of Tubular $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ Membranes with $La_{0.6}Sr_{0.4}Ti_{0.3}Fe_{0.7}O_{3-{\delta}}$ Porous Coating Layer (다공성의 $La_{0.6}Sr_{0.4}Ti_{0.3}Fe_{0.7}O_{3-{\delta}}$가 코팅된 $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ 관형 분리막의 제조 및 투과 특성)

  • Kim, Jong-Pyo;Pyo, Dae-Woong;Park, Jung-Hoon;Lee, Yong-Taek
    • Membrane Journal
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    • v.22 no.1
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    • pp.8-15
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    • 2012
  • Tubular $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ membranes with $La_{0.6}Sr_{0.4}Ti_{0.3}Fe_{0.7}O_{3-{\delta}}$ porous coating layer were prepared by extrusion and dip coating technique. XRD and SEM result showed the tubular membrane possessed the perovskite structure and porouscoating layer (thickness= about $2{\mu}m$) in surface. The oxygen permeation test was measured at condition of ambient air (feed side) and vacuum (permeate side) in the temperature range from 750 to $950^{\circ}C$. The oxygen permeation flux of $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ tubular membrane with $La_{0.6}Sr_{0.4}Ti_{0.3}Fe_{0.7}O_{3-{\delta}}$ porous coating layer reached maximum $3.2mL/min{\cdot}cm^2$ at $950^{\circ}C$ and was higher than non-coated $Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3-{\delta}}$ tubular membrane. Long-term stability test result indicated that the oxygen permeation flux was quite stable during the 11 day.

Economies of Scale and Scope In Seoul's Urban Bus Industry (서울 시내버스운송업의 규모 및 범위의 경제성 분석)

  • 김성수;김민정
    • Journal of Korean Society of Transportation
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    • v.19 no.6
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    • pp.89-102
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    • 2001
  • Using a multiproduct translog cost function model, this paper examines the existence or absence of scale and scope economies in Seoul's urban bus industry. The Paper then conceptualizes that the bus firm produces three outputs (city, seat and local bus-kilometers) using low input factors(labor, capital, fuel and maintenance). Using 1996 annual observations for 81 Seoul's bus firms, the equation system consisting of a cost function and three input share equations is estimated with the nonlinear iterative Zellner method. The findings show that the cost function corresponding to a non-homothetic production technology with separability between local bus outputs and inputs adequately represents the structure of cost for Seoul's bus firms, and that the demand lot all input factors is quite inelastic with respect to their own price. On the other hand, nearly all firms experience mild overall economies or scale, but rather marked product-specific economies of scale with respect to all the three outputs. In addition, there appear to be substantial economies or scope associated with the joint production of city and seat bus services, while considerable diseconomies of scope associated with that of city and local bus services. These results indicate that the merger of smaller firms into larger firms with a fleet of approximately 200 buses would result in more cost-efficient bus services.

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A topological metal at the surface of an ultrathin BiSb alloy film

  • Hirahara, T.;Sakamoto, Y.;Saisyu, Y.;Miyazaki, H.;Kimura, S.;Okuda, T.;Matsuda, I.;Murakami, S.;Hasegawa, S.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.14-15
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    • 2010
  • Recently there has been growing interest in topological insulators or the quantum spin Hall (QSH) phase, which are insulating materials with bulk band gaps but have metallic edge states that are formed topologically and robust against any non-magnetic impurity [1]. In a three-dimensional material, the two-dimensional surface states correspond to the edge states (topological metal) and their intriguing nature in terms of electronic and spin structures have been experimentally observed in bulk Bi1-xSbx single crystals [2,3,4]. However, if we want to know the transport properties of these topological metals, high purity samples as well as very low temperature will be needed because of the contribution from bulk states or impurity effects. In a recent report, it was also shown that an intriguing coupling between the surface and bulk states will occur [5]. A simple solution to this bothersome problem is to prepare a topological metal on an ultrathin film, in which the surface-to-bulk ratio is drastically increased. Therefore in the present study, we have investigated if there is a method to make an ultrathin Bi1-xSbx film on a semiconductor substrate. From reflection high-energy electron diffraction observation, it was found that single crystal Bi1-xSbx films (0${\sim}30\;{\AA}A$ can be prepared on Si(111)-$7{\times}7$. The transport properties of such films were characterized by in situ monolithic micro four-point probes [6]. The temperature dependence of the resistivity for the x=0.1 samples was insulating when the film thickness was $240\;{\AA}A$. However, it became metallic as the thickness was reduced down to $30\;{\AA}A$, indicating surface-state dominant electrical conduction. Figure 1 shows the Fermi surface of $40\;{\AA}A$ thick Bi0.92Sb0.08 (a) and Bi0.84Sb0.16 (b) films mapped by angle-resolved photoemission spectroscopy. The basic features of the electronic structure of these surface states were shown to be the same as those found on bulk surfaces, meaning that topological metals can be prepared at the surface of an ultrathin film. The details will be given in the presentation.

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Self-Limiting Growth of ZnO Thin Films and Substrate-Temperature Effects on Film Properties (자기제한적 표면반응에 의한 ZnO 박막성장 및 기판온도에 따른 박막특성)

  • Lee, D.H.;Kwon, S.R.;Lee, S.K.;Noh, S.J.
    • Journal of the Korean Vacuum Society
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    • v.18 no.4
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    • pp.296-301
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    • 2009
  • An inductively coupled plasma assisted atomic layer deposition(ICP-ALD) system has been constructed for the deposition of ZnO thin films, and various experiments of ZnO thin films on p-type Si(100) substrates have been carried out to find the self-limiting reaction conditions for the ICP-ALD system under non-plasma circumstances. Diethyl zinc[$Zn(C_2H_5)_2$, DEZn] was used as the zinc precursor, $H_2O$ as the oxidant, and Ar as the carrier and purge gas. At the substrate temperature of $150^{\circ}C$, atomic layer deposition conditions based on self-limiting surface reaction were successfully obtained by series of experiments through the variation of exposure times for DEZn, $H_2O$, and Ar. ZnO deposition was repeated at different substrate temperatures of $90{\sim}210^{\circ}C$. As a result, the thermal process window(ALD window) for ZnO thin films was observed to be $110{\sim}190^{\circ}C$ and the average growth rate was measured to be constant of 0.29 nm/cycle. Properties of the film's microstructure and composition(Zn, O, etc.) were also studied. As the substrate temperature increases, the crystallinity was improved and ZnO(002) peak became dominant. The films deposited at all temperatures were high purity, and the films deposited at high temperatures had the composition ratio between Zn and O closer to one of a stable hexagonal wurtzite structure.

Synthesis of Uniformly Doped Ge Nanowires with Carbon Sheath

  • Kim, Tae-Heon;;Choe, Sun-Hyeong;Seo, Yeong-Min;Lee, Jong-Cheol;Hwang, Dong-Hun;Kim, Dae-Won;Choe, Yun-Jeong;Hwang, Seong-U;Hwang, Dong-Mok
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.289-289
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    • 2013
  • While there are plenty of studies on synthesizing semiconducting germanium nanowires (Ge NWs) by vapor-liquid-solid (VLS) process, it is difficult to inject dopants into them with uniform dopants distribution due to vapor-solid (VS) deposition. In particular, as precursors and dopants such as germane ($GeH_4$), phosphine ($PH_3$) or diborane ($B_2H_6$) incorporate through sidewall of nanowire, it is hard to obtain the structural and electrical uniformity of Ge NWs. Moreover, the drastic tapered structure of Ge NWs is observed when it is synthesized at high temperature over $400^{\circ}C$ because of excessive VS deposition. In 2006, Emanuel Tutuc et al. demonstrated Ge NW pn junction using p-type shell as depleted layer. However, it could not be prevented from undesirable VS deposition and it still kept the tapered structures of Ge NWs as a result. Herein, we adopt $C_2H_2$ gas in order to passivate Ge NWs with carbon sheath, which makes the entire Ge NWs uniform at even higher temperature over $450^{\circ}C$. We can also synthesize non-tapered and uniformly doped Ge NWs, restricting incorporation of excess germanium on the surface. The Ge NWs with carbon sheath are grown via VLS process on a $Si/SiO_2$ substrate coated 2 nm Au film. Thin Au film is thermally evaporated on a $Si/SiO_2$ substrate. The NW is grown flowing $GeH_4$, HCl, $C_2H_2$ and PH3 for n-type, $B_2H_6$ for p-type at a total pressure of 15 Torr and temperatures of $480{\sim}500^{\circ}C$. Scanning electron microscopy (SEM) reveals clear surface of the Ge NWs synthesized at $500^{\circ}C$. Raman spectroscopy peaked at about ~300 $cm^{-1}$ indicates it is comprised of single crystalline germanium in the core of Ge NWs and it is proved to be covered by thin amorphous carbon by two peaks of 1330 $cm^{-1}$ (D-band) and 1590 $cm^{-1}$ (G-band). Furthermore, the electrical performances of Ge NWs doped with boron and phosphorus are measured by field effect transistor (FET) and they shows typical curves of p-type and n-type FET. It is expected to have general potentials for development of logic devices and solar cells using p-type and n-type Ge NWs with carbon sheath.

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