• 제목/요약/키워드: Theoretical chemistry

검색결과 644건 처리시간 1.075초

N-Terminal Sequences of ${\lambda}$-type Bence Jones Proteins (${\lambda}$형(型) Bence Jones 단백질(蛋白質)의 N 말단주변(末端周邊)의 아미노산배열순서(酸配刻順序)에 관한 연구(硏究))

  • Kim, Jun-Pyong
    • Applied Biological Chemistry
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    • 제13권1호
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    • pp.65-72
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    • 1970
  • Two peptides (Im pr-M, Im ch-M) derived from Im ${\lambda}-type$ of Bence Jones Protein and one peptide (Ikch-M) from Ik were separated and purified using the Dowex $50{\times}2$ column $(1{\times}20\;cm)$ and Dowex $1{\times}2(0.9{\times}50\;cm)$. The buffer solution was composed of 1% pyridine and IM formic acid in Dowex $1{\times}2$ column. The blocked N-terminal was examined with ninhydrin reaction before and after alkaline hydrolysis, which was fractionated by Dowex $1{\times}2$ column. Pyrro-glutamic acid in N-terminal residue was identified by comparing with the authentic pyrro-glutamic acid through a high voltage electrophoresis (pH 3.5, 3000 V.) after the peptide Im pr-M (PCA. Ser) was cleavaged at the position of serine with cone. (12 N) HCl and the pyrro-glutamic acid was converted to glutamic acid by treating it with N-NaOH for 116 hours at $27^{\circ}C$. The substractive method was applied to find out the sequence of peptides and carboxypeptidase A was employed to release C-terminal residue from the peptide. In present study PCA. Ser in Im Pr-M was isolated from the pronase digested ${\lambda}$-type Bence Jones protein. The yield of the Im Pr-M was 79.6 percent of its theoretical value, based on the molecular weight of Bence Jones Protein. Im ch-M (PCA. Ser Val. Leu) was isolated from the chymotrypsin digested ${\lambda}$-type Bence Jones Protein. The yield of the Im ch-M was 72.2 percent. based on the molecular weight of Bence Jones Protein. Ik ch-M (PCA. Ser. Ala. Leu) was isolated from the chymotrypsin digested ${\lambda}$-type Bence Jones Protein and its yield was 42% based on the molecular weight of Bence Jones Protein.

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The Remained Basis and the Locational Characteristics of Manufacturing in Chonnam Region (전남지역 제조업의 존립기반과 입지특성)

  • Kim, Jae-Chul
    • Journal of the Korean association of regional geographers
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    • 제2권2호
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    • pp.19-36
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    • 1996
  • This study is to examine the remained basis and the locational characteristics of manufacturing in Chonnam region. First, the locational characteristics of manufacturing in the peripheral region examined through theoretical discussions about manufacturing location. And the locational characteristics of the small and medium firms and large firms be studied as to understand the precedent characteristics of Chonnam region. Chonnam region have the precedent characteristics that the regional capital is not accumulated as Japen exploit agricultural products at a colonial period. And SOC, industry and technology are not developed as geographically Chonnam lesion turn aside the economics axis of Korea-Japen-America within a period of industrialization. Manufacturing firms have beer make up the traditional indigenous firms which base on local market, agriculture and marine products in Chonnam lesion. The characteristics of these firms mainly are food & drink, nonmetal industry that is composed of the small and medium sized firms. The industrial structure is changing to machinery, chemistry, electronics industry from food & drink, nonmetal industry. But these industry is making the simple products. In Chonnam region, these change of industrial structure was expanding to the inland or coast region from the neighhoring region of Kwangju metropolitan. The blanch factories of large enterprises that located in Chonnam region are not connected with small and medium sized firms. The small and medium sized firms are not developed. Because these large enterprises are the iron and steel industry or chemistry industry. So the large-manufacturing firms have characteristics of the capital intensive industry, and make up the monopolistic industrial space of fordist blanch factories.

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Operating Parameters and Performance of Biotrickling Filtration for Air Pollution Control (대기오염물질 제어를 위한 생물살수여과법의 운전인자와 성능평가)

  • Won, Yang-Soo
    • Applied Chemistry for Engineering
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    • 제16권4호
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    • pp.474-484
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    • 2005
  • Biological treatment is a promising alternative to conventional air pollution control methods. Bioreactors for air pollution control have found most of their success in the treatment of dilute and high flow waste air streams containing volatile organic compounds and odor compounds. They offer several advantages over traditional technologies such as incineration or adsorption. These include lower treatment costs, absence of formation of secondary pollutants, no spent chemicals, low energy demand and low temperature treatment. The most widely used bioreactor for air pollution control is biofilter, but it has several limitations. In the past years major progress has been accomplished in the development of vapor phase bioreactor, in particular biotrickling filters. Biotrickling filters are more complex than biofilters, but are usually more effective, especially for the treatment of compounds which are difficult to degrade or compounds that generate acidic by-products. While the level of understanding of biotrickling filtration process for VOCs still remains limited, the evident success of biotreatment of VOC in air stimulated the pursue of acitve research. This paper presents fundamental and theoretical/practical aspect of air pollution control in biotrickling filter. Special emphasis is given to the operating parameters and the factors influencing performance for air pollution control in biotrickling filter.

Diffusion Characteristics of Fatty Acid using Supercritical Fluid Chromatographic Method (초임계유체 크로마토그래피를 이용한 지방산의 확산특성 해석)

  • Lee, Seung Bum;Seong, Dae Hyung;Kim, Hyung Su;Hong, In Kwon
    • Applied Chemistry for Engineering
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    • 제7권6호
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    • pp.1043-1052
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    • 1996
  • Supercritical fluid chromatographic method was recommended as an alternative separation method of fatty acids of the conventional method such as distillation or extraction. Although diffusion characteristics are varied by the carbon numbers and the degree of unsaturation of fatty acids, the quantitative data were so rare that the commercialization of supercritical fluid chromatographic method has been hindered. In this study, diffusion coefficients of fatty acids which are differently unsaturated are measured by CPB method in the range of 308.15K to 328.15K and 13MPa to 17MPa in supercritical carbon dioxide. A decrease in the binary diffusion coefficient was observed with an increase in temperature and pressure. Also, the decrease in the binary diffusion coefficient with increasing fluid density and viscosity. Wilke-Chang equation, Funazukuri empirical equation, and Matthews-Akgerman equation are used to correlate the experimental diffusion coefficients of fatty acids in supercritical carbon dioxide. Among the various theoretical equations, Matthews-Akgerman equation based on RHS theory was suggested as a more successful correlation model with experimental data.

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An Interdisciplinary Approach for the Solution of Enviromental polution (環境汚染의 解決을 위한 綜合科學的 接近方法 (I))

  • Sin, Hyeon-Deok
    • Journal of the Korean institute of surface engineering
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    • 제12권3호
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    • pp.207-216
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    • 1979
  • Environmental pollution or contaminations caused by various kinds of pollutants have become one of most serious problems of our time. Environ mental pollution is the unfavoralble alteration of our surroundings, through direct or indirect effects of changes in energy patterns, rediation levels, chemical and physical constitution and abundances of organisms. These changes may affect humans directly or through their supplies of water and of agicultural and other biological products, their physical objects or possessions, or their opportunities for recreation and appreciation of nature. Pollutants that meet the criteria of this definition of environmental pollution are numerous: gases (such as sulfur dioxide and nitrogen oxides) and paniculate matter (such as smoke particles, lead aerosols, and asbestos) in the atmosphere; pesticides and radioactive isotopes in the atmosphee and in waterways; sewage, organic. chemicals, and phosphates in water; solid wastes on land; excessive heating (thermal pollution) of rivers and lakes; and many others. Some of these pollutants are introduced into the environment naturally, others by human actions, and most in both ways. Our major concer is with environmental pollution resulting wholly or largely as a by-product of human activities, because these can be controlled most readily. Environmental pollution cannot be solved by science and technology alone. It should be handled by an interdisciplinary approach with combined methods of science and technology as wen as social science disciplines for the better solution of this critical problem. In this respect, introducing "Environmental Science," a new scientific approach for the solution of environmental problems, which is now widely accepted by most developed countries of the world will be very helpful for systematization of theoretical basis for a new scientific approach to environmental pollution. Environmental science is "the study of all systems of air, land, water, energy, and life that surround Man. It includes all sciences directed to the system-level of understanding of the environment, drawing especially upon such disciplines as meteorology, geophysics, oceanography, and ecology, and utilizing to the fullest knowledge and techniques developed in such fields as physics, chemistry, biology, mathematics and engineering as well as many social science disciplines, such as economics, such as economics, law, political science and public administration." The components of this discipline are not new, for they are drawn from existing areas of science within biology chemistry, physics, and geoscience. What is really new about environmental science, however, is it siewpoint - its orientation to global problems, its conception of the earth as a set of interlocking, interacting systems, and its interest in Man as a part of these systems.

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Theoretical Studies on Orbital Interactions and Conformation of ${\alpha}$-Substituted Acetones (${\alpha}$-치환 아세톤의 궤도간 상호작용과 형태에 관한 이론적 연구)

  • Ikchoon Lee;Kiyull Yang;Wang Ki Kim;Byung Hoo Kong;Byung Choon Lee
    • Journal of the Korean Chemical Society
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    • 제30권1호
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    • pp.9-18
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    • 1986
  • MNDO and STO-3G calculations were performed to determine relative stabilities of rotamers for ${\alpha}$-substituted acetones, $CH_2XCOCH_3$, X = F, Cl, OH, SH, and $NH_2$. It was found that rotamers corresponding to gauche forms are preferred for all the ${\alpha}$-substituents except for X = F and NH$_2$, for which the cis forms were the preferred ones. The stability of gauche form was dictated by the stabilizing two-orbital-two-electron interaction ${\sigma}_{cx}$-${\pi}_{co}^*$, operating uniquely in the gauche form due to the substantial vicinal overlap and energy gap narrowing between ${\sigma}_{cx}$ and ${\pi}_{co}^*$ orbitals. The energy gap narrowing was caused by the lowering of ${\pi}_{co}^*$ level due to the hyperconjugative ${\sigma}_{cx}^*$-${\pi}_{co}^*$ interactions; the red shift in the n-${\pi}^*$ transition was another effect of the relatively large ${\sigma}_{cx}^*$-${\pi}_{co}^*$ splitting. Various ${\sigma}-{\pi}$ interactions in the gauche form were found to be stronger in the third-row hetero atom system, X = Cl and SH. Interactions between nonbonding orbital on N, $n_N$ and vicinal C-C ${\sigma}$ bond were shown to be stronger in the trans than in the cis orientation.

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Analysis of Voltaic Cell Described in the Science Textbooks of Secondary Schools (중·고등학교 과학 교과서에 제시된 볼타전지에 대한 문제점 분석)

  • Sin, Dong-Hyeok;Lee, Sang-Gwon;Choe, Byeong-Sun
    • Journal of the Korean Chemical Society
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    • 제46권4호
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    • pp.363-377
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    • 2002
  • The purpose of this study was to improve the problems of the voltaic cell described in the science textbooks of secondary schools. For this purpose, the contents of science textbooks which are related to the voltaic cell were analyzed and the problems which were not explained clearly by theorems were tried to be explained by experiments, and lastly sug-gestions were made toward the improvements regarding the voltaic cell in the science textbooks. The findings are that there are problems on the ways of ensuring whether the voltaic cell operates properly as a chemical battery, on the explanation of why the hydrogen bubbles form at the zinc electrode, on the cell potential, on the unification of the electrode terminology used, and on the mention of the current. Solutions to the problems except the cell potential were suggested. According to the experiment, the theoretical potential was calculated by considering the potentials of redox reactions at the two electrodes of the cell and by taking into account the characteristics of the electrodes such as the work function, ionization energy, stan-dard reduction potential, and electronegativity.The cell potential of the voltaic cell is explained by several factors. In the improved version of the textbook's introduction section to the voltaic cell, it is necessary to describe the voltaic cell his-torically.For the conceptual section, it should be explained in terms of the Daniel cell.

Synthesis and Electrochemical Properties of Nitrogen Doped Mesoporous TiO2 Nanoparticles as Anode Materials for Lithium-ion Batteries (질소도핑 메조다공성 산화티타늄 나노입자의 합성 및 리튬이온전지 음극재로의 적용)

  • Yun, Tae-Kwan;Bae, Jae-Young;Park, Sung-Soo;Won, Yong-Sun
    • Clean Technology
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    • 제18권2호
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    • pp.177-182
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    • 2012
  • Mesoporous anatase $TiO_2$ nanoparticles have been synthesized by a hydrothermal method using a tri-block copolymer as a soft template. The resulting $TiO_2$ materials have a high specific surface area of $230\;m^2/g$, a predominant pore size of 6.8 nm and a pore volume of 0.404 mL/g. The electrochemical properties of mesoporous anatase $TiO_2$ for lithium ion battery (LIB) anode materials have been investigated by typical coin cell tests. The initial discharge capacity of these materials is 240 mAh/g, significantly higher than the theoretical capacity (175 mAh/g) of LTO ($Li_4Ti_5O_{12}$). Although the discharge capacity decreases with the C-rate increase, the mesoporous $TiO_2$ is very promising for LIB anode because the surface for the Li insertion is presented significantly with mesopores. Nitrogen doping has a certain effect to control the capacity decrease by improving the electron transport in $TiO_2$ framework.

DFT Study for the Thermodynamic Stability and Binding Energeticsof SnOn, SnO2n, SnO3n (n = 1~4) (SnOn, SnO2n, SnO3n (n = 1~4)의 열역학적 안정성과 결합에너지에 대한 DFT 이론 연구)

  • Kim, Si-Jo;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • 제53권5호
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    • pp.512-520
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    • 2009
  • The theoretical calculations for $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}\;(n\;=\;1{\sim}4)$ have been considered at the B3LYP level of theory with various basis sets. The optimized geometries, harmonic vibrational frequencies, and binding energies are evaluated to elucidate the thermodynamic stability and spectroscopic properties. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. The binding energies due to increasing of $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}$ monomers are calculated at the MP2/6-311G** level of theory. For $S_nO_n\;(n\;=\;1{\sim}4)$, the binding energy difference is about 20∼25 kcal/mol by adding SO monomer. For $SO_2\;and\;SO_3\;(n\;=\;1{\sim}4)$, the binding energy differences are relatively small by comparing to $S_nO_n$.

Simultaneous Determination of Berberine, Cinnamic Acid and Glycyrrhizin in Pharmaceutical Formulations by Capillary Electrophoresis with Diode-Array Detection (모세관 전기이동법에 의한 생약제제중 베르베린, 계피산 및 글리시리진의 동시 정량)

  • Kang, Seong Ho;Chung, Wha Jin;Yoon, Hyung Jung;Chung, Doo Soo
    • Journal of the Korean Chemical Society
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    • 제41권2호
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    • pp.98-104
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    • 1997
  • A simple, accurate and reproducible capillary electrophoresis(CE) assay has been developed for the determination of berberine, cinnamic acid, and glycyrrhizin which are used in traditional Korean medicinal preparations. Separation of these compounds was performed in 20 mM phosphate buffer(pH 7.5) and acetonitrile(75:25, v/v) using a bare fused silica capillary($57 cm{\times}75 {\mu}m$ i.d.) at 25$^{\circ}C$. With the electric field of 350 V/cm, the time needed for the separation of berberine, cinnamic acid and glycyrrhizin was within 13 min. Calibration curves were linear for 1∼100 ${\mu}g/mL$ berberine, 0.3∼100 ${\mu}g/mL$ cinnamic acid and 2.5∼100 ${\mu}g/mL$ glycyrrhizin. The ranges of relative standard deviations(n=5) for those samples were between 0.96∼2.35%. The limits of detection(S/N=3) for berberine, cinnamic acid and glycyrrhizin were 0.5, 0.1 and 2.0 ${\mu}g/mL$, respectively. The numbers of theoretical plates were 181,000(berberine), 88,000(cinnamic acid) and 169,000(glycyrrhizin), while they were 3,100∼4,800 in HPLC.

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