• Title/Summary/Keyword: Chemistry Data

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The Crystal and Molecular Structure of $N_1$-Cyclohexyl-$N_1$-(o-Chlorobenzal) Imino Thiourea

  • Koo, Chung-Hoe;Kim, Hojing;Kim, Hoon-Sup;Chang, Chong-Whan
    • YAKHAK HOEJI
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    • v.21 no.3
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    • pp.146-158
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    • 1977
  • N$_{1}$-cyclohexyl-$N_{2}$-(o-chlorobenzal) imino thiourea, $C_{14}$H$_{18}$N$_{3}$SCI, crystallizes in $C_{2}$/c, with a=19.68, b=7.74, c=20.42$\AA$, ${\beta}$=$92.$8^{\circ}$ and eight formula units in the unit cell. The structure was solved by the study of Patterson sections, calculated from three-dimensional film data, and was refined by block-diagonal least-squares methods to R=0.16 based on 1288 independent intensity data. The rest atoms of N$_{1}$-cyclohexyl-$_{2}$-(o-chlorobenzal) imino thiourea molecule excluding cyclohexan ring and chlorine atoms approximately lie on a plane. A pair of molecules related by the symmetry centers are connected directly with the N-H.......S hydrogen bonds. Apart from the hydrogen bonding system the structure is held together by the van der Waals forces.

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NMR Relaxation Study of Segmental Motions in Polymer-n-Alkanes

  • Chung Jeong Yong;Lee Jo Woong;Park Hyungsuk;Chang Taihyun
    • Bulletin of the Korean Chemical Society
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    • v.13 no.3
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    • pp.296-306
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    • 1992
  • $^{13}C$ spin-lattice relaxation times were measured for n-alkanes of moderate chain length, ranging from n-octane to n-dodecane, under the condition of proton broad-band decoupling within the temperature range of 248-318 K in order to gain some insight into basic features of segmental motions occurring in long chain ploymeric molecules. The NOE data showed that except for methyl carbon-13 dipole-dipole interactions between $^{13}C$ and directly bonded $^1H$ provide the major relaxation pathway, and we have analyzed the observed $T_1data$ on the basis of the internal rotational diffusion theory by Wallach and the conformational jump theory by London and Avitabile. The results show that the internal rotational diffusion constants about C-C bonds in the alkane backbone are all within the range of $10^9\;-10^10\;sec^{-1}$ in magnitude while the mean lifetimes for rotational isomers are all of the order of $10^{-11}\;-10^{-10}$ sec. Analysis by the L-A theory predicts that activation energies for conformational interconversion between gauche and trans form gradually increase as we move from the chain end toward the central C-C bond and they are within the range of 2-4 kcal/mol for all the compounds investigated.

Evaluation of Primary Coolant pH Operation Methods for the Domestic PWRs (국내 PWR의 일차냉각재 pH 운전방법의 평가)

  • Paek, Seung-Woo;Na, Jung-Won;Kim, Yong-Eak;Bae, Jae-Heum
    • Nuclear Engineering and Technology
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    • v.24 no.1
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    • pp.52-62
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    • 1992
  • Radioactive nuclides deposited on out-of-core surface after the radiation in the core by the transport of corrosion products (CRUD) through the primary coolant system in PWR which is the major plant type in Korea, are leading sources of radiation exposure to plant maintenance personnel. Thus, the optimal chemistry operation method is required for the reduction of radiation exposure by the corrosion products. This study analysed the actual water chemistry operation data of four operating domestic PWRs. And in order to evaluate the coolant chemistry operation data, a computer code which can calculate the activity buildup in the various chemistry conditions of PWR coolant was employed. Through the analysis of comparison between the activity buildup of actual water chemistry operation mode and that of assumed Elevated Li operation mode calculated by the computer code, it was found that the out-of core radioactivity can be reduced by diminishing the deposition of corrosion products on the core in case that the Elevated Li operation mode is applied to the coolant chemistry operation of PWR. And the higher coolant pH operation was shown to have the advantage of the reduction of out-of-core activity buildup if the integrity of system structural materials and fuel cladding is guaranteed.

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Identification of Soluble Epoxide Hydrolase Inhibitors from the Seeds of Passiflora edulis Cultivated in Vietnam

  • Cuong, To Dao;Anh, Hoang Thi Ngoc;Huong, Tran Thu;Khanh, Pham Ngoc;Ha, Vu Thi;Hung, Tran Manh;Kim, Young Ho;Cuong, Nguyen Manh
    • Natural Product Sciences
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    • v.25 no.4
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    • pp.348-353
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    • 2019
  • Soluble epoxide hydrolases (sEH) are enzymes present in all living organisms, metabolize epoxy fatty acids to 1,2-diols. sEH in the metabolism of polyunsaturated fatty acids plays a key role in inflammation. In addition, the endogenous lipid mediators in cardiovascular disease are also broken down to diols by the action of sEH that enhanced cardiovascular protection. In this study, sEH inhibitory guided fractionation led to the isolation of five phenolic compounds trans-resveratrol (1), trans-piceatannol (2), sulfuretin (3), (+)-balanophonin (4), and cassigarol E (5) from the ethanol extract of the seeds of Passiflora edulis Sims cultivated in Vietnam. The chemical structures of isolated compounds were determined by the interpretation of NMR spectral data, mass spectra, and comparison with data from the literature. The soluble epoxide hydrolase (sEH) inhibitory activity of isolated compounds was evaluated. Among them, trans-piceatannol (2) showed the most potent inhibitory activity on sEH with an IC50 value of 3.4 μM. This study marks the first time that sulfuretin (3) was isolated from Passiflora edulis as well as (+)-balanophonin (4), and cassigarol E (5) were isolated from Passiflora genus.

Students’ Thought Patterns on Problem and Problem Solving in the Course of General Chemistry (일반화학을 수강하는 학생들의 문제 및 문제해결에 대한 사고유형)

  • Lee, Seon Gyeong;Park, Hyeon Ju
    • Journal of the Korean Chemical Society
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    • v.46 no.6
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    • pp.550-560
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    • 2002
  • This study was to explore students' thought patterns on problem and problem solving in the course of general chemistry. The participants were 9 students taking the course of general chemistry in a university in Seoul. Data were collected from various sources; three individual interviews, classroom observations, and essays written by students.Data were all transcribed and then analyzed circularly in constant component analysis. As the results of this study, six thought patterns of students in the context of learning general chemistry were presented. These thought patterns were common and existed important component within most of students' conceptual ecologies about learning chemistry. Implications of chemistry and science learning related to this results were discussed.

High School Students' Views of Learning Chemistry (고등학생의 화학학습에 대한 인식)

  • Park, Hyun-Ju
    • Journal of the Korean Chemical Society
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    • v.48 no.3
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    • pp.291-299
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    • 2004
  • The purpose of this study is to investigate views of high school students' learning of chemistry as one aspect of conceptual ecology. The results of this study will help us expand our understanding of conceptual change as it is used to evaluate learners. I made use of an interpretative research design based on principles of naturalistic inquiry. The participants in this study were six sophomore students. The picture of a chemistry class we draw from analyzing data is a play on stage with little interaction. Students accept passive and difficult-to-modify views of the learner roles that they should play in the chemistry classroom. Students identified chemistry classes as conservative places. 'Transmission' seems to remain the persistent and dominant classroom cultural dynamic for both the teaching and learning of chemistry. Students should understand about learning processes, and how to play, monitor, evaluate and regulate them. Students should experience the plausibility and fruitfulness of learning chemistry, and it will help students to feel a "love of learning chemistry." As students change their views of learning chemistry, it will help to improve their learning and to experience conceptual change in chemistry learning.

Plasma Chemistry Data Research for Plasma Applications

  • Yoon, Jung-Sik
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.77-77
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    • 2012
  • As interest has increased in the interaction between low-temperature plasmas and materials, the role of modeling and simulation of processing in plasma has become important in understanding the effects of charged particles and radicals in plasma applications. Thus in this presentation, we present the theoretical and experimental studies of electron impact cross section for plasma processing gas, such as plasma etching and deposition processes. Also, here the work conducted at the Data Center for Plasma Properties (DCPP) over last 7 years on the systematic synthesis and assessment of fundamental knowledge on low-energy electron interactions with plasma processing gases is briefly summarized and discussed.

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Analysis of Precipitate Formation Reaction for Measuring Chemical Reaction Rate and Its Development Appling Small-Scale Chemistry (앙금 생성 반응을 이용한 화학반응속도 측정 실험의 분석과 Small-Scale Chemistry를 적용한 실험 개발)

  • Park, Kuk-Tae;Noh, Ji-Hyun;Kim, Dong-Jin;Ryu, Ran-Yeong;Noh, Yun-Mi;Kim, Myo-Kyung;Lee, Sang Kwon
    • Journal of the Korean Chemical Society
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    • v.52 no.3
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    • pp.303-314
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    • 2008
  • The purpose of this study was to understand the experiment for measuring chemical reaction rate by precipitate formation and to develop experiments applying small-scale chemistry. For this study, the experimental method for measuring the effect of concentration and temperature on chemical reaction rates presented in the 10 high school science textbooks were classified by their experimental methods of confirming production. Subsequently, problems observed in carrying out the experiments for measuring chemical reaction rates by precipitate formation frequently presented in the 10 high school science textbooks were analyzed. Experiments applying small-scale chemistry were developed measuring chemical reaction rate by precipitate formation. According to the result of this study, there were some problems in the experimental method of precipitate formation for measuring chemical reaction rates presented in the high school science textbooks. Those problems in the science textbook experiments were insufficient specification of mixing methods of reaction solutions, obscurity of knowing when the character letter X disappeared, time delay in collecting the experimental data, formation of hazardous sulfur dioxide, uneasiness of fixing water bath container, controlling the reaction temperature, and low reproducibility. Those problems were solved by developing experiments applying smallscale chemistry. Presenting the procedure of mixing reaction solutions on the A4 reaction paper sheet made the experimental procedure clearly, using well plates and stem pipette shortened the reaction time and made it possible to continuously collect the experimental data. Furthermore, the quantity of hazardous sulfur dioxide was reduced 1/7 times and the time when the character letter X disappeared could be observed clearly. Since experiments for measuring the effect of concentration and temperature on chemical reaction rates could be performed in 30 minutes, the developing experiments applying SSC would help students understand the scientific concepts on the effect of concentration and temperature on chemical reaction rates with enough time for experimental data analysis and discussion.

EXPERIMENTAL AND AB INITIO CHARACTERIZATION OF THE ANHARMONICITY OF $v_s(OH)$ VIBRATION IN PHENOL DERIVATIVES

  • Boguslawa, Czarnik-Matusewicz;Rospenk, Maria;Koll, Aleksandern
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1274-1274
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    • 2001
  • An anharmonicity is a fundamental quantity shaping the potential for stretching OH vibration in phenol and its derivatives. The phenomenon is examined both by experimental and theoretical methods. FT-IR and NIR spectra of series of phenols derivatives were measured in the range of fundamental and first two Overtones of $_{s}(OH)$ Vibrations in $CCl_4$ solutions. The electronic influence of substituents on the analyzed frequencies is discussed and correlated with $pK_{a}$ parameters. Ab initio MP2/6-31G(d,p) and B3LYP/6-31G(g,p) calculations of the potential for proton movement in OH group were performed. Equilibrium structures were also determined. The frequencies of fundamental and overtones were calculated by Numerov-type procedure. The results of calculations are compared with the experimental data. The best linear correlations were obtained for the results of MP2/6-31G(d,p) calculations. It was shown that some structural parameters are especially sensitive on substitution. The linear correlations were found between those parameters and spectroscopic data. The results of calculation are compared with available crystallographic data.

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^1H $-NMR Studies on Ln^{3+}$-DMF Systems (Ⅰ). Exchange Rates and Proton Chemical Shifts of CHO Group (Ln^{3+}$-DMF계의 ^1H $-NMR 연구 (Ⅰ). DMF 분자의 교환과 CHO기의 양성자 화학적이동)

  • Mi-Kyung Lee;Chang-Ju Yoon;Young-sang Choi
    • Journal of the Korean Chemical Society
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    • v.36 no.3
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    • pp.345-350
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    • 1992
  • Proton lineshapes and chemical shifts of paramagnetic solutions of Ln$(NO_3)_3$ in DMF have been measured over the temperature range 240K to 3807K. Solvation sphere exchange rates and the thermodynamic exchange parameters for CHO group of the DMF molecules have been extracted from these data. The results were established through a detailed analysis and discussion of the temperature depending data of the 1/$T_2$ and ${\Dellta}{\omega}$ data were analyzed in detail, and it has been found that delocalization of the unpaired electron spin from some $Ln^{3+}$ ion to DMF molecules beyond the first solvation shell would occur, giving rise to a scalar relaxation contribution in the bulk solvent.

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