• 제목/요약/키워드: Bond configuration

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Diels-Alder 反應에 對한 理論的 硏究 (第2報). 新 United Ionic-Radical Mechanism (Theoretical Studies of Diels-Alder Reaction (Part II). A New United Ionic-Radical Mechanism of Diels-Alder Reaction)

  • 박병각
    • 대한화학회지
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    • 제17권1호
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    • pp.1-9
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    • 1973
  • 區區한 Diels-Alder 反應의 구조를 규명하기 위하여 Diels-Alder 反應 基 自體의 本質에 가장 가깝다고 생각한 새로운 擬似分子化合物이라는 遷移狀態의 模型을 假定하여 Mulliken의 分子化合物의 量子力學을 適用하였다. 이 擬似分子化合物은 이온성과 Radical성을 지닌 混成體이다. 이 混成體의 波動函數는 다음 식으로 표현된다. ${\psi}_{complex} = {\psi}(R,S) + {\rho}{\psi}(R^+,S^-)$ 여기 ${\rho}$는 擬似分子化合物의 極性程度를 나타내는 것이고 이 ${\rho}$가 Diene과 Dienpohile의 反應中心原子들의 自由原子價의 차 $({\Delta}F)$에 關係함을 밝혔다. 아울러 이 ${\Delta}F$量이 Brown氏의 Lp量 및 Dewar氏의 ${\Delta}E_{deloc}$量과 直線성이 있음을 알았다. Diels-Alder反應의 可能性與否를 24組의 反應組에 對하여 豫言하였다. 따라서 우리가 假定한 遷移狀態의 模型이 眞實에 가깝다고 볼 수 있으며 결국 Diels-Alder 反應은 同時附加로 융합된 ionic-Radical mechanism으로 反應이 進行한다고 볼 수 있다.

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혐기성 연속 회분식 반응조를 이용한 지질 함유 폐수의 산발효 특성 (Acidogenesis of Lipids-Containing Wastewater in Anaerobic Sequencing Batch Reactor)

  • 김상현;신항식
    • 대한환경공학회지
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    • 제31권12호
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    • pp.1075-1080
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    • 2009
  • 혐기성 소화 시 산발효 단계에서 지질 성분이 부분적으로 분해되고 지질 내 이중 결합이 포화됨을 통해 후단의 메탄발효 효율이 향상됨이 보고된 바 있다. 본 연구에서는 혐기성 연속 회분식 반응조(anaerobic sequencing batch reactor, 이하 ASBR) 및 연속 흐름 교반 반응조(continuously stirred tank reactor, 이하 CSTR) 형태의 산생성조를 각각 운전하여 지질 분해 및 독성 저감 효율을 살펴보았다. 기질로는 두 가지 불포화(oleate and linoleate), 두 가지 포화(palmitate and stearate) 지방산(long-chain fatty acids, 이하 LCFA)로 구성된 LCFA 혼합물을 사용하였다. 반응조 내의 높은 미생물 보유량에 의해 ASBR이 수리학적 체류시간(hydraulic retention time, 이하 HRT) 12 hr 이하에서 우월한 성능을 보였다. HRT 9시간에서 ASBR은 36.7%의 LCFA 분해, 14.3%의 이중결합 포화, 43.8%의 산생성 효율을 보였으며, 이는 HRT 15시간의 CSTR 보다 각각 19%, 10%, 21% 높은 수치였다. 지질 함유 폐수의 혐기성 소화 시 ASBR을 이용한 산발효가 효과적일 것으로 판단된다.

Dependence of the lithium ionic conductivity on the B-siteion substitution in $(Li_{0.5}La_{0.5})Ti_{1-x}M_xO_3$

  • Kim, Jin-Gyun;Kim, Ho-Gi
    • E2M - 전기 전자와 첨단 소재
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    • 제11권11호
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    • pp.9-17
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    • 1998
  • The dependence of the ionic conductivity on the B-site ion substitution in (Li0.5La0.5)Ti1-xMxO3 (M=Sn, Zr, Mn, Ge) system has been studied. Same valence state and various electronic configuration and ionic radius of Sn4+, Zr4+, Mn4+ and Ge4+(4d10(0.69$\AA$), 4p6(0.72$\AA$), 3d10(0.54$\AA$) and 3d3(0.54$\AA$), respectively) induced the various crystallographic variaton with substitutions. So it was possibleto investigate the crystallographic factor which influence the ionic conduction by observing the dependence of the conductivity on the crystallographic factor which influence the ionic conduction by observing the dependence of the conductivity on the crystallographic variations. We found that the conductivity increased with decreasing the radii of B-site ions or vice versa and octahedron distortion disturb the ion conduction. The reason for this reciprocal proportion of conductivity on the radius of B-site ions has been examined on the base of the interatomic bond strength change due to the cation substitutions. The results were good in agreement with the experimental results. Therefore it could be concluded that the interatomic bond strength change due to the cation substitutions may be the one of major factors influencing the lithium ion conductivity in perovskite(Li0.5La0.5) TiO3system.

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중합환경에 따른 복합레진의 물리적 성질에 관한 연구 (The effect of cavity configuration on the mechanical properties of resin composites)

  • 류길주;박상진;최경규
    • Restorative Dentistry and Endodontics
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    • 제27권3호
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    • pp.239-248
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    • 2002
  • 이 연구의 목적은 와동의 형태가 굴곡강도와 탄성계수 등 복합레진의 물리적 성질에 미치는 영향을 평가하는 것이다. 복합레진은 Clearfil$^{TM}$ AP-X(Kuraray, Japan)와 Esthet-X$^{TM}$(Dentsply, USA)가 이용되었으며, 상아질 접착제는 Clearfil$^{TM}$ SE Bond(Kuraray, Japan)와 Prime & Bond NT$^{TM}$(Dentsply, USA)를 사용하였다. 대조군의 시편은 split steel mold(25mm$\times$2mm$\times$2mm) 내에 상기 2종류의 복합레진을 충전하여 2개의 대조군 시편을 제작하였으며, 2.4 및 3.4의 C-factor를 부여하기 위한 유리 모형와동을 제작하고, 와동 내에 상기 2종류의 복합레진을 충전하기 전 유리와동의 내면은 sandblasting 처리하고 각각의 복합레진과 동일회사 제품의 상기 상아질 접착제로 처리한 후, 복합 레진을 각각 충전하여 4개의 실험군을 제작하였다. 제작된 실험군 시편은 저속 diamond saw로 충전된 복합레진 부위의 중심부를 통과하도록 절단하여 레진기둥(25mm$\times$2mm$\times$2mm)이 되도록 제작하였다. 제작된 시편을 37$^{\circ}C$의 증류수에 24시간 동안 보관 후, 만능시험기(EZ Test, Shimadzu, Japan)를 이용하여 분당 1mm의 crosshead speed로 3점 굴곡강도를 측정하였다. 또 Linometer(R&B, Korea)를 이용하여 복합레진의 중합수축량을 측정하였으며 굴곡강도측정 후 시편의 파단면은 주사전자현미경(S-2300, Hitachi, Japan)을 이용하여 관찰하였다. 실험결과의 통계분석은 95% 수준의 one-way ANOVA/Tukey's test를 이용하여 결과를 얻었다. 실험에 이용된 2종류 복합레진의 굴곡강도와 탄성계수는 C-factor치 증가에 따라 감소하였으며, 파단면 또한 C-factor의 증가에 따라 더 불규칙해지는 양상을 나타내었다. 본 실험의 결과 hybrid형 복합레진이 micro-hybrid형 복합레진에 비해 C-factor의 영향을 더 많이 받는 것으로 나타났으며, 와동의 C-factor증가가 굴곡강도나 탄성계수와 같은 복합레진의 물리적 성질을 저하시킨다는 것을 의미하였다.

Crystal Structure of Penicillin V Potassium Salt

  • Kim, Whan-Chul;Yi, Seung-Ho;Shin, Jung-Mi;Yoon, Tae-Sung
    • Bulletin of the Korean Chemical Society
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    • 제14권6호
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    • pp.713-717
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    • 1993
  • The crystal structure of the potassium salt of penicillin V has been studied by the X-ray crystallographic methods. Crystal data are as follows; potassium 3,3-dimethyl-7-oxo-6-phenoxyacetoamido-4-thia-1- azabicyclo[3.2.0]-heptane-2${\alpha}$-carboxylate, $K^+{\cdot}C_{16}H_{18}N_2O_5S^-$, $M_r$= 388.5, triclinic, Pl, a= 9.371 (1), b= 12.497 (2), c= 15.313 (2) ${\AA},\;{\alpha}= 93.74\;(2),\;{\beta}=99.32\;(1),\;{\gamma}=90.17\;(1)^{\circ},\;V=1765.7\;(2)\;{\AA}^3$, Z=4, $D_m=1.461\;gcm^{-1},\;{\lambda}(Cu\;K{\alpha})=1.5418\;{\AA},\;{\mu}=40.1\;cm^{-1}$, F(000)=808, T=296 K. The structure was solved by the heavy atom and difference Fourier methods with intensity data measured on an automated four-circle diffractometer. The structure was refined by the full-matrix least-squares method to a final R= 0.081 for 3563 observed $[I_0{\geq}2{\sigam}(I_0)]$ reflections. The four independent molecules assume different overall conformations with systematically different orientations of the phenyl groups although the penam moieties have the same closed conformations. There are intramolecular hydrogen bonds between the exocyclic amide nitrogen and phenoxy oxygen atoms. The penam moiety is conformationally very restricted although the carboxyl and exocyclic amide groups apparently have certain rotational degrees of freedom but the phenyl group is flexible about the ether bond despite the presence of the intramolecular N-H${\cdots}$O hydrogen bond. There are complicated pseudo symmetric relationships in the crystal lattice. The penam moieties are related by pseudo 20.5 screw axes and the phenyl groups by pseudo centers of symmetry. The potassium ions, related by both pseudo symmetries, form an infinite zigzag planar chain parallel to the b axis. Each potassium ion is coordinated to seven oxygen atoms in a severely distorted pentagonal bipyramid configuration, forming the infinite hydrophilic channels which in turn form the molecular stacks. Between these stacks, there are only lipophilic interactions involving the phenyl groups.

銀Ion 및 역상(逆相) HPLC를 이용(利用)한 입체이성체적(立體異性體的) 분석(分析)에 의한 은행종실유(銀杏種實油)의 트리글리세리드의 분자종(分子種)에 관한 연구(硏究) (The Stereospecific Analysis of the Triacylglycerols of Ginkgo Nut Oils by High-Performace Liquid Chromatography(HPLC) in the Silver Ion and Reversed Phase Modes)

  • 조용계;우효경;김훈숙
    • 한국응용과학기술학회지
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    • 제14권1호
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    • pp.61-76
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    • 1997
  • Triacylglycerols of the seeds of Ginkgo biloba have been resolved by high-performace liquid chromatography(HPLC} in the silver-ion and reverse-phase modes. The fatty acids were identified by a combination of capillary gas chromatography and gas-chromatography /mass spectrometry as the methyl and /or picolinyl ester. The main components are $C_{18:2{\omega}6}$(39.0mol%), $C_{18:1{\omega}7}$(asclepic acid 21.5mol%), and $C_{18:1{\omega}9}$(oleic acid, 13.8mol%). Considerable amounts of unusual acid such as $C_{20:3{\Delta}^{5,11,14}$ (5.7mol%), $C_{18:2{\Delta}^{5,9}$(2.8mol%), and $C_{18:3}{\Delta}^{5,9,12}$(1.6mol%), were checked. In addition, an anteiso-branched fatty acid, 14-methylhexadecanoic acid, was also present as a minor component(0.9 mol%). The triacylglycerols were separated into 17 fractions by reverse-phase HPLC, and the fractionation was achieved according to the partition numnber(PN) in which a ${\Delta}^5$-non methylene interrupted double bond($^5$-NMDB) showed different behaviour from a methylene interrupted double bond in a molecule with a given cahinlength. Silver-ion HPLC exhibited excellent resolution in which fractions(23 fractions) were resolved on the basis of the number and configuration of double bonds. In this instance, the strength of interaction of a ${\Delta}^5$-NMDB system with silver ions seemed to be weaker than a methylene interrupted double bond system. The principal triacylglycerol species are as follows ; $(C_{18:2{\omega}6)2}/C_{18:1{\omega}7}$, $C_{18:1{\omega}9}/C_{18:1{\omega}7}/C_{18:2{\omega}6}$, $(C_{18:1{\omega}7)2}/C_{18:2{\omega}6}$, $C_{16:1{\omega}7}/C_{18:1{\omega}9}/C_{20:3}{\Delta}^{5,11,14}$, $C_{16:1{\omega}7}/C_{18:1{\omega}7}/C_{20:3}{\Delta}^{5,11,14}$, $C_{18:1{\omega}9}/C_{18:1{\omega}7}/C_{18:2{\omega}6}$, $C_{18:1{\omega}9}/C_{18:2}{\Delta}^{5,5}/C_{20:3}{\Delta}^{5,11,14}$, $(C_{18:1{\omega}7)2}/C_{18:2{\omega}6}$ and $(C_{18:1{\omega}9)2}/C_{18:2{\omega}6}$, while simple triacylglycerols without $C_{18:2{\omega}6})_3$ were not present. Stereospecific analysis showed that fatty acids with ${\Delta}^5$-NMDB system and saturated chains were predominantly located at the site of sn-3 carbon of glycerol backbones. It is evident that there is asymmetry in the distribution of fatty acids in the TG molecules of Ginkgo nut oils.

Calcium Alginate의 킬레이트 결합을 이용한 수중의 질산성 질소 제거에 관한 연구 (A Study on the Nitrate Removal in Water by Chelating Bond of Calcium Alginate)

  • 김태경;송주영;김종화
    • 한국응용과학기술학회지
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    • 제33권4호
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    • pp.795-801
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    • 2016
  • 본 연구는 응집제로 calcium alginate를 이용한 질산성 질소 처리에 관한 연구이다. 질산성 질소를 제거하기 위한 방법으로는 역삼투법, 이온교환수지법, 전기투석법, 생물학적 방법 등이 있지만 본 연구에서는 응집 침전시키는 방법으로서 질산성 질소를 처리하고자 하였다. 응집제로 이용한 calcium alginate가 킬레이트 결합을 형성하여 질산성 질소를 응집 침전시킬 것으로 예상하고, 응집제의 성분, 응집 반응시간, 응집제의 몰비, 응집제의 주입율에 따라 질산성 질소가 제거되는 경향을 보았다. 또한 FE-SEM과 EDS(Energy Dispersive X-Ray Spectrometer)를 통하여 응집반응 후 침전물의 구조 및 구성성분비를 분석함으로써 질산성 질소가 Calcium-nitro-alginate 형태로 제거되는지를 확인하였다. 그 결과 반응시간은 60분, 응집제의 몰비는 1:1일 때, 응집제의 주입율은 합성폐수의 2 %일 때 질산성 질소의 제거율이 최대 56.7 %로 나타났다.

Experimental research on seismic behavior of SRC-RC transfer columns

  • Wu, Kai;Xue, Jianyang;Nan, Yang;Zhao, Hongtie
    • Steel and Composite Structures
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    • 제21권1호
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    • pp.157-175
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    • 2016
  • It was found that the lateral stiffness changes obvious at the transfer position of the section configuration from SRC to RC. This particular behavior leads to that the transfer columns become as the important elements in SRC-RC hybrid structures. A comprehensive study was conducted to investigate the seismic behavior of SRC-RC transfer columns based on a low cyclic loading test of 16 transfer columns compared with 1 RC column. Test results shows three failure modes for transfer columns, which are shear failure, bond failure and bend failure. Its seismic behavior was completely analyzed about the failure mode, hysteretic and skeleton curves, bearing capacity deformation ability, stiffness degradation and energy dissipation. It is further determined that displacement ductility coefficient of transfer columns changes from 1.97 to 5.99. The stiffness of transfer columns are at the interval of SRC and RC, and hence transfer columns can play the role of transition from SRC to RC. All specimens show similar discipline of stiffness degradation and the process can be divided into three parts. Some specimens of transfer column lose bearing capacity swiftly after shear cracking and showed weak energy dissipation ability, but the others show better ability of energy dissipation than RC column.

목재-강재 합성 부재의 전단 부착 성능에 대한 실험적 평가 (Experimental Evaluation of Shear Bonding Performance of Wood-Steel Composite Members)

  • 박금성;이상섭;곽명근
    • 한국공간구조학회논문집
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    • 제19권4호
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    • pp.53-60
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    • 2019
  • In this study, an experimental study was carried out to evaluate the bond shear performance according to the shear connector between the glue-laminated timber and steel interface. Ten block shear specimens were fabricated according to the configuration of the adhesive surface of wood and steel. In addition, four test specimens were produced according to the main variable shape of the wood-concrete shear connector. As a result of the block shear test, the shear strength of the steel-wood adhesive is shown to have a shear performance greater than the wood-wood shear strength. As a result of the push-out test according to the shape of the shear connector, the shear strength increased linearly with the attachment area. The complete composite behavior between the glued-laminated timber and the steel can be secured.

Comparison of Adsorption Configurations between Phenylalanine and Tyrosine on Ge(100)

  • 임희선;양세나;이한길
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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    • pp.216-216
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    • 2011
  • We will investigate the bonding configurations of phenylalanine and tyrosine adsorbed on the Ge(100) surface using CLPES and DFT calculations. First, the C 1s, N 1s, and O 1s spectra obtained at 300 K revealed that both the amine and carboxyl groups of phenylalanine and tyrosine concurrently participated in adsorption on the Ge(100) surface without bond breaking using CLPES, depending on the extent of coverage. In the second place, we confirmed that the "O-H dissociated-N dative bonded structure" is the most stable structure implying kinetically favorable structure, and the "O-H dissociation bonded structure" is another stable structure manifesting thermodynamically advantageous structure using DFT calculations. This tendency turns up both phenylalanine and tyrosine, similarly. Furthermore, through the CLPES data and DFT calculation data, we discovered that the "O-H dissociated-N dative bonded structure" and the "O-H dissociation bonded structure" are preferred at 0.30 ML and 0.60 ML, respectively. Moreover, we found that the phenyl ring of phenylalanine is located in axial position to Ge(100) surface, but the phenyl ring of tyrosine is located in parallel to Ge(100) surface using DFT calculations.

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