• Title/Summary/Keyword: 6sigma method

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Theoretical Studies on Electronic Structure and Absorption Spectrum of Prototypical Technetium-Diphosphonate Complex 99mTc-MDP

  • Qiu, Ling;Lin, Jian-Guo;Gong, Xue-Dong;Ju, Xue-Hai;Luo, Shi-Neng
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2358-2368
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    • 2011
  • Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, employing the B3LYP method and the LANL2DZ, 6-31G$^*$(LANL2DZ for Tc), 6-31G$^*$(cc-pVDZ-pp for Tc) and DGDZVP basis sets, have been performed to investigate the electronic structures and absorption spectra of the technetium-99m-labeled methylenediphosphonate ($^{99m}Tc$-MDP) complex of the simplest diphosphonate ligand. The bonding situations and natural bond orbital compositions were studied by the Mulliken population analysis (MPA) and natural bond orbital (NBO) analysis. The results indicate that the ${\sigma}$ and ${\pi}$ contributions to the Tc-O bonds are strongly polarized towards the oxygen atoms and the ionic contribution to the Tc-O bonding is larger than the covalent contribution. The electronic transitions investigated by TDDFT calculations and molecular orbital analyses show that the origin of all absorption bands is ascribed to the ligand-to-metal charge transfer (LMCT) character. The solvent effect on the electronic structures and absorption spectra has also been studied by performing DFT and TDDFT calculations at the B3LYP/6-31G$^*$(cc-pVDZ-pp for Tc) level with the integral equation formalism polarized continuum model (IEFPCM) in different media. It is found that the absorption spectra display blue shift in different extents with the increase of solvent polarity.

Electrochemical Behaviors of Hydroquinone on a Carbon Paste Electrode with Ionic Liquid as Binder

  • Sun, Wei;Jiang, Qiang;Yang, Maoxia;Jiao, Kui
    • Bulletin of the Korean Chemical Society
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    • v.29 no.5
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    • pp.915-920
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    • 2008
  • In this paper the electrochemical behaviors of hydroquinone ($H_2Q$) were investigated on a carbon paste electrode using room temperature ionic liquid N-butylpyridinium hexafluorophosphate ($BPPF_6$) as binder (ILCPE) and further applied to $H_2Q$ determination. In pH 2.5 phosphate buffer solution (PBS), the electrochemical response of H2Q was greatly improved on the IL-CPE with a pair of well-defined quasi-reversible redox peaks appeared, which was attributed to the electrocatalytic activity of IL-CPE to the $H_2Q$. The redox peak potentials were located at 0.340 V (Epa) and 0.240 V (Epc) (vs. the saturated calomel electrode, SCE), respectively. The formal potential ($E^0$') was calculated as 0.290 V and the peak-to-peak separation (${\Delta}E_p$) was 0.100 V. The electrochemical parameters of $H_2Q$ on the IL-CPE were further calculated by cyclic voltammetry. Under the selected conditions the anodic peak current was linear with $H_2Q$ concentration over the range from $5.0\;{{\times}}\;10^{-6}$ to $5.0\;{\times}\;10^{-3}\;mol\;L^{-1}$ with the detection limit as $2.5\;{\times}\;10^{-6}\;mol\;L^{-1}$ (3$\sigma$ ) by cyclic voltammetry. The proposed method was successful applied to determination of $H_2Q$ content in a synthetic wastewater sample without the interferences of commonly coexisting substances.

Characteristics and Combined Sewer Overflows (합류식 하수관거의 유출 특성 분석 조사)

  • An, Ki-Sun;Jang, Sung-Ryong;Kwon, Young-Ho
    • Journal of Environmental Science International
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    • v.19 no.6
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    • pp.747-753
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    • 2010
  • It follows in quality and sewage exclusion method of the investigation objective sector and the Combined Sewer Overflows which is suitable in regional characteristics and the confluence area against the rainfall initially a flow and the medulla and measurement - it analyzes the initial rainfall outflow possibility control plan which is suitable in the domestic actual condition and it proposes the monitor ring plan for the long-term flow and pollution load data accumulation. From the research which it sees the Infiltration water/Influent water and CSOs investigation it passes by the phase of hazard chain and Namwon right time 4 it does not hold reverse under selecting, Measurement it used the hazard automatic flow joint seal Sigma 910 machine and in case 15 minute interval of the I/I, it measured a flow at case 5, 15 minute standing of the CSOs. The water quality investigation for the water leakage investigation of the I/I and the sewage from the point which is identical with flow measurement during on-the-spot inspection duration against 6 items which include the BOD sampling and an analysis, when the rainfall analysis for CSOs fundamental investigation analyzed against 18 items which include the BOD sampling. Consequently, for the optimum interpretation invasion water / inflow water of the this investigation area day average the lowest flow - water quality assessment veterinarian optimum interpretation hazard average per day - lowest flow - it averages a medulla evaluation law department one lowest flow evaluation technique and it selects, it presentation collectively from here it gets, position result with base flow analysis of invasion water / inflow water.

Quantitative structure-activity relationships for the growth inhibition activity of the herbicidal 3-phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole derivatives (제초성 3-Phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole 유도체들의 정량적인 구조와 생장 저해 활성과의 관계)

  • Sung, Nack-Do;Lee, Sang-Ho;Kim, Hyoung-Rae;Song, Jong-Hwan
    • The Korean Journal of Pesticide Science
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    • v.6 no.4
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    • pp.279-286
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    • 2002
  • To improve the growth inhibition activities and selectivities for quinclorac family, novel 3-substituted phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole derivatives as the substrate were synthesized and their the activities ($pI_{50}$) against shoot and root of rice plant (Oryza sativa L.) and barn-yard grass (Echinochloa crus-galli) were measured. And the quantitative structure-activity relationships (QSARs) between physicochemical parameters of the substitutents (R) on phenyl group and the activities ($pI_{50}$) were analyzed quantitatively. According to the SAR analyses, the substrates of planar conformation showed higher herbicidal activities against barnyard grass than rice plant. The activities against rice plant depend on the electronic effect (shoots: ${\sigma}_{opt.}=0.49$ & root: $R_{opt.}=-0.15$) of substituents, whereas the activities against shoots and roots of barnyard grass depend on hydrophobicity (${\pi}_{opt.}=0.37{\sim}2.40$). There were conditions of selective growth inhibition activity against barnyard grass when such a ortho-substituted electron donating substituents showing the hydrophobicity value, ${\pi}=2.40$ were introduced on the phenyl ring. The 2-tolyl substituent predicted from SAR equations was expected to have better growth inhibition activity and selectivity (${\Delta}pI_{50}=1.26$) for barnyard grass.

The furulamelllal study in order to obtain the hydrological design basis for hydrological structures in Korea (Run ofl estimate and Flood part) (한국에 있어서 제수문구조물의 설계의 기준을 주기 위한 수문학적 연구(류거, 홍수 편))

  • 박성우
    • Magazine of the Korean Society of Agricultural Engineers
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    • v.8 no.1
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    • pp.1011-1034
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    • 1966
  • This thesis is the final report which has long been studied by the author to obtain the design basis for various hydrological constructions with the specific system suitable to the natural environmental conditions in Korea. This report is divided into two parts: one is to estimate runoff volume from watersheds and the other to estimate the peak discharge for a single storm. According to the result of observed runoff record from watersheds, it is known that Kajiyama formula is useful instrument in estimating runoff volume from watersheds in this country. But it has been found that this formula shows us 20-30% less than the actual flow. Therefore, when wihed to bring a better result, the watershed characteristics coefficient in this formula, that is, f-value, should be corrected to 0.5-0.8. As for the method to estimate peak discharge from drainage basin, the author proposes to classify it in two ways; one is small size watershed and the other large size watershed. The maximum -flood discharge rate $Q_p$ and time to peak Pt obtained from the observed record on the small size watershed are compared by various methods and formulas which are based upon the modern hydrological knowledge. But it was fou.d that it. was not a satisfied result. Therefore, the author proposes. tocomputate $Q_p$, to present 4.0-5.0% for the total runoff volume ${\Sigma}Q$.${\Sigma}Q$ is computed under the assumption of 30mm 103s in watershed per day and to change the theoritical total flow volume to one hour dura tion total flow rate when design daily storm is given. Time to peak Pt is derived from three parameters which are u,w,k. These are computed by relationship between total runoff volume (ha-m unit)and $Q_p$. (C.M.S. unit). Finally, the author checked out these results obtained from 51 hydrographs and got a satisfied result. Therefore the author suggested the model of design dimensionless unit-hydrograph. And the author believes that this model will be much available at none runoff record river site. In the large size watersheds in Korea when the maximum discharge occurs, the effective rainfall is two consequtive stormy days. So the loss in watershed was assutned as 6Omm/2days,and the author proposed 3-hour-daration hydrograph flow distribution percentage. This distribution percentage will be sure to form the hydrograph coordinate.

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Spectrophotometric Determination of Ephedrine Alkaloids by Charge-Transfer Complexation (전하이동 착물형성에 의한 Ephedrine Alkaloids의 분석화학적 연구)

  • 옥치완;백채선
    • YAKHAK HOEJI
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    • v.31 no.5
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    • pp.330-337
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    • 1987
  • The weak UV absorbing ephedrine alkaloids such as ephedrine, pseudoephedrine, methylephedrine and norephedrine could be analyzed by charge-transfer spectrophotometric method. The results obtained are summarized as follows: (1) It was possible to determine a weak UV absorbing ephedrine alkaloids using the intense charge-transfer UV bands in chloroform. (2) This method was suitable for the spectrophotometric determination of ephedrine alkaloids in mixed pharmaceutical preparation. (3) Linear relationship was found between absorbance and concentration in the range of 1.0$\times$$10^{-5}M$~5$\times$$10^{-5}M$ of ephedrine ($\varepsilon$= 2.72$\times$$10^{4}LM^{-1}cm^{-1}$ and pseudoephedrine ($\varepsilon$=2.84$\times$$10^{4]LM^{-1}cm^{-1}$), 1.0$\times$$10^{-5}M$~5$\times$$10^{-5}$M of methylephdrine ($\varepsilon$=1.68$\times$$10^{4}LM^{-1}cm^{-1}$) and 1/3$\times$$10^{-4}M$~4/3$\times$$10^{-4}M$ of norephedrine ($\varepsilon$=0.74$\times$$10^{4}LM^{-1}cm^{-1}$. (4) CT- complex of ephedrine, pseudoephedrine and methylephedrine has absorption maxima at 293nm and norephedrine have absorption maximum at 253nm. (5) CT-complexes were formed in a 1:1 ratio between ephedrine alkaloids and iodine in chloroform. (6) By UV, IR, and $^1H$-NMR spectra, it could be inferred that CT-complexes were formed by interaction between the basic nitrogen of ephedrine alkaloids as electron (n) donor and iodine as electron ($\sigma$) acceptor.

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Voltammetric Determination of Copper(II) Using Glassy Carbon Electrodes Modified with Nafion-DTPA-Glycerol

  • Park, Chan-Ju;Park, Eun-Heui;Chung, Keun-Ho
    • Proceedings of the Korean Environmental Health Society Conference
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    • 2003.06a
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    • pp.177-180
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    • 2003
  • A glassy carbon electrode(GCE) modified with nafion-DTPA-glycerol was used for the highly selective and sensitive determination of a trace amount of Cu$\^$2+/. Various experimental parameters, which influenced the response of nafion-DTPA-glycerol modified electrode to Cu$\^$2+/, were optimized. The copper(II) was accumulated on the electrode surface by the formation of the complex in an open circuit, and the resulting surface was characterized by medium exchange, electrochemical reduction, and differential pulse voltammetry, A linear range was obtained in the concentration range 1.0${\times}$10$\^$-8/M∼1.0${\times}$10$\^$-6/M Cu(II) with 7 min preconcentration. Further, when an approximate amount of lead(II) is added to the test solution, nafion-DTPA-glycerol modified glassy carbon electrode has a dynamic range of 2 orders magnitude(1.0${\times}$10$\^$-9/M∼1.0${\times}$10$\^$-7/M). The detection limit(3 $\sigma$) was as low as 5.0${\times}$10$\^$-6/M(0.032ppb). The interferences from other metal ions could be reduced by adding KCN into the sample solutions. This method was applied to the determination of coppe,(II) in certified reference material(3.23${\times}$10$\^$-7/M, 21ppb), sea water(9.50${\times}$10/sup-7/M, 60ppb). The result agrees satisfactorily with the value measured by Korea Research Institute of Standard and Science.

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Comparison of Aldehydes Concentrations Characteristics According to Measurement Methods in Temporary Exhibition Hall (측정방법에 따른 유물전시관 기획전시실 내 알데하이드 농도 분포 특성 비교)

  • Lim, Bo-A;Lee, Sun-Myung
    • 보존과학연구
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    • s.36
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    • pp.49-63
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    • 2015
  • In this study, the annual and seasonal concentrations of aldehydes was measured using the active type and passive type method in the temporary exhibition hall and outdoor air. It was compared with the correlation between the methods according the comparison of methods to measured concentrations. As a results, the ${\Sigma}$ aldehydes in exhibition hall by the active type was higher than 6.4 times by passive type. The formaldehyde was exceeded standards in exhibition facilities of the Ministry of Environment. It was the highest concentrations in summer. Annual I/O ratio of formaldehyde was 5.4 and acetaldehyde was 1.9, it was confirmed that a large amount occurs in the temporary exhibition hall. The results of the correlation coefficient and the t-test of formaldehyde were a strong positive linear relationship between the active type and the passive type.

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AN IMMUNOHISTOCHEMICAL STUDY ON THE CELLULAR CHANGE IN EPITHELIUM AND SUBEPITHELIAL TISSUE OF NON-INFLAMMATORY GINGIVAL HYPERPLASIA (비염증성 치은증식증의 상피 및 상피하조직내 세포변화에 관한 면역조직화학적 연구)

  • Choi, Yeoung-Wook;Han, Kyung-Yoon
    • Journal of Periodontal and Implant Science
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    • v.23 no.3
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    • pp.605-621
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    • 1993
  • The gingival hyperplasia refers to an increase in the size of the gingival tissue produced by an increase in the number of its component cells. In order to investigate the cellular change in epithelium and subepithelial tissue of noninflammatory gingival hyperplasia, the gingival tissues were surgically obtained from the patients with dilantin gingival hyperplasia and idiopathic gingival hyperplasia. The excised tissue samples were fixed in neutral formalin for 6-24 hours, embedded with paraffin, sectioned at $4-6{\mu}m$ in thickness, mounted on glass slides coated with 3-aminopropyltriethoxysilane(Sigma Chemical Co., St. Louis, MO, U.S.A.) and immunocytochemically processed by Avidin-Biotin peroxidase complex method for detecting proliferating cell nuclear antigen, tenascin and collagen type IV. Monoclonal mouse anti-human PCNA antibody(Oncogene Science, Uniondale, NY, U.S.A., 1 : 250,000), monoclonal mouse anti-human tenascin antibody(Chemicon-International Inc., Temecula, CA, U.S.A., 1:5,000), and monoclonal mouse anti-human collagen type IV(Dakopatts, Glostrup, Denmark, 1: 50) were used as primary antibodies. The results were as follows: 1. In non-inflammatory gingival hyperplasia, the positive reaction to proliferating cell nuclear antigen was localized in the basal cell layer of gingival epithelium and well-developed rete pegs. 2. The positive reaction to tenascin was shown in the connective tissue subjacent to basament membrane of gingival tissue, and especially strong positive reaction was noted in the tip portion of connective tissue projections. 3. The positive reaction to collagen type IV was localized along the basement membranes of gingival epithelium and blood vessels. The results suggest that connective tissue enlargement may affect the proliferation of gingival epithelium.

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Practical Experimental Design Strategy and Analysis for the Comparison of Two Treatments (두 개의 처리 비교를 위한 실용적인 실험 계획 전략과 분석)

  • Lim, Yong-Bin
    • Journal of Korean Society for Quality Management
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    • v.33 no.3
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    • pp.156-160
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    • 2005
  • We consider practical experimental design strategies and analysis to find out whether a modified method give better results than the standard method. The most practical design strategy is for experimenter to make r successive runs under the current standard method and then, change the standard method to a modified method to make another r successive runs under a modified method. To test a statistically significant difference between the population mean of the standard method and a modified method, additional recent data for sufficient number of consecutive responses under the standard method is needed to construct external reference distribution(Box, et al., 1968). Upon those informations unavailable, the practical design strategy is to run the experiment by split plot designs. In this paper, two types of split plot designs are proposed and how to determine efficiently the number of repetition within a given method and replication of those two methods are discussed based on results of the level of significance ${\alpha}$= 0.05 and the power being at least 0.9 at the detectable difference of ${\mu}_2-{\mu}_1=1.5{\times}{\sigma}$.