• Title/Summary/Keyword: 화학구조분석

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Elicitation of Chemicals Requiring Emergency Medical Information in Chemical Accidents (화학사고 시 응급의료정보 제공이 필요한 화학물질의 도출)

  • Wang, Soon-Joo
    • Proceedings of the Korean Society of Disaster Information Conference
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    • 2016.11a
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    • pp.307-308
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    • 2016
  • 본 연구는 화학사고 시 피해에 대한 응급의료정보를 신속, 적정히 제공, 관리하기 위하여 데이터베이스를 설계하며, 그 내용으로서 화학사고 응급의료 정보 및 대응 시나리오를 포함한 컨텐트를 제작하여 화학사고 응급 콜센터를 운영하게 될 때 사용 가능하게 하며, 직접 화학사고 응급 콜센터를 응급의료진이 직접 참여하고 관련 기관이 연계되어 시범 운영함으로써 그 결과를 환류, 수정 반영하여 응급의료 정보가 적절히 제공되는 지속적인 화학사고 응급 콜센터가 운영될 수 있는 기반을 마련하는 내용이며 이를 위하여 학사고 시 응급의료정보 제공이 필요한 화학물질의 도출의 적절한 방법에 대한 분석과 제안을 통하여 화학사고 응급 의료정보 제공시스템 개발 및 서비스 운영 기반 확보하는 기초 구조를 마련하고자 한다.

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Structure-Activity Relationship (II). Structure and Activity of Folate Analogues (구조-활성관계 (제 2 보). Folate 유사체의 구조와 활성)

  • Seongsik Park;Soo-Dong Yoh
    • Journal of the Korean Chemical Society
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    • v.37 no.4
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    • pp.448-452
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    • 1993
  • To find out a correlation between anti-folate activity and physical properties of folate analogues, geometric parameters, dipole moment, net charges, HOMO and LUMO energies were calculated. The electronic properties do not give any correlations with inhibition of folate reductase, but the calculated geometries show some correlations.

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Synthesis and Characterization of Quartz Nanocrystals (석영 나노 결정의 합성과 특성)

  • Moon, Gyuseop;Chung, Sungwook
    • Applied Chemistry for Engineering
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    • v.31 no.6
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    • pp.697-700
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    • 2020
  • We report the synthesis and characterization of quartz nanocrystals (NCs). Quartz NCs were synthesized from the dissolution of amorphous silica nanoparticle precursors under the mild hydrothermal condition of ~250 ℃ and autogenic pressure. It was confirmed that the average size of the nanostructure with a highly crystalline phase of α-quartz can be tuned in a relatively narrow range from 407.5 to 826.2 nm with respect to the reaction time. α-Quartz NCs have potential uses for technological applications in optoelectronics, sensing, and rechargeable battery devices.

Theoretical Study on Structural Properties of Triptan Derivatives (트립탄 유도체의 구조적 특성에 관한 이론적 연구)

  • Chul Jae Lee;Ki Young Nam
    • The Journal of the Convergence on Culture Technology
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    • v.9 no.4
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    • pp.503-508
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    • 2023
  • Tryptane derivatives are substances that treat acute migraines, and many studies have been conducted on analysis methods such as chromatography, electrochemistry, spectroscopy, and capillary electrophysiology. Recently, analytical chemists have become more interested in drug analysis and solving fundamental problems of biological importance. Therefore, in this study, the chemical properties of each derivative were investigated by calculating the total energy, band gap, electrostatic potential, and charge of Sumatriptan, Lizatriptan, Naratriptan, and Eletriptan using HyperChem8.0's semi-empirical PM3 method. As a result of this study, in the case of Sumatriptan, Naratriptan, and Eletriptan, chemical reactions are expected to proceed centering on oxygen and nitrogen atoms bonded to sulfur atoms. In addition, in the case of Rizatriptan without a sulfur atom, it was shown that the chemical reaction proceeds at the 17th and 19th nitrogens of the 5-membered heterocyclic compound.

An Investigation on Structural Analysis of Feldspars by Electron Diffraction Patterns (전자회절도형을 이용한 장석의 구조 분석에 대한 고찰)

  • 김윤중;이영부;박병규;이정후
    • Journal of the Mineralogical Society of Korea
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    • v.17 no.2
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    • pp.177-187
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    • 2004
  • Measurements of the lattice parameters of albite and oligoclase from electron diffraction patterns with the Au internal standard resulted in errors of less than 1 %. An electron diffraction map for natural oligoclase samples was constructed and 11 stations of zone-axes diffraction patterns were obtained. This process is indispensible for reliable TEM studies of triclinic feldspars. Utilizing the [001] cleavage plane of feldspar and the double-tilting TEM holder the following information is obtainable: Si-Al ordering and chemistry of alkali feldspars could be estimated from the $\alpha$* - * plot, where * is measured from the [001] orientation, while $\alpha$* is measured from the [100] orientation. Si-Al ordering of Na-rich plagioclase could be estimated from * [001] patterns. Structure and chemistry or Na-poor plagioclase could be estimated from existence of e-reflections, their intensity variations as well as their positional changes.

Analysis for Atomic Structural Deterioration and Electrochemical Properties of Li-rich Cathode Materials for Lithium Ion Batteries (리튬이차전지용 리튬과잉계 양극 산화물의 충방전 과정 중 원자 구조 열화 과정과 전기화학 특성에 대한 분석)

  • Park, Seohyeon;Oh, Pilgun
    • Applied Chemistry for Engineering
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    • v.31 no.1
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    • pp.97-102
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    • 2020
  • Recently, various degradation mechanisms of lithium secondary battery cathode materials have been revealed. As a result, many studies on overcoming the limitation of cathode materials and realizing new electrochemical properties by controlling the degradation mechanism have been reported. Li-rich layered oxide is one of the most promising cathode materials due to its high reversible capacity. However, the utilization of Li-rich layered oxide has been restricted, because it undergoes a unique atomic structure change during the cycle, in turn resulting in unwanted electrochemical degradations. To understand an atomic structure deterioration mechanism and suggest a research direction of Li-rich layered oxide, we deeply evaluated the atomic structure of 0.4Li2MnO3_0.6LiNi1/3Co1/3Mn1/3O2 Li-rich layered oxide during electrochemical cycles, by using an atomic-resolution analysis tool. During a charge process, Li-rich materials undergo a cation migration of transition metal ions from transition metal slab to lithium slab due to the structural instability from lithium vacancies. As a result, the partial structural degradation leads to discharge voltage drop, which is the biggest drawback of Li-rich materials.

그래핀 층수에 따른 산화 특성 연구

  • Lee, Byeong-Ju;Jeong, Gu-Hwan
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.358-358
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    • 2011
  • 탄소원자로 구성된 2차원의 단원자 층의 그래핀은 우수한 기계적 강도, 전기전도도, 화학적 안정성 등의 특성으로 인하여 현재 기초연구 및 응용연구들이 활발하게 진행되고 있다. 일반적으로 그래핀의 물성은 그래핀의 층수, edge 형태, 구조적 defect의 양, 불순물의 양 등에 의해 좌우되는 것으로 알려져 있어, 그 원인들의 영향을 살펴보는 일은 그래핀 물성 제어의 측면에서 매우 중요하다. 한편, 그래핀을 산업적으로 이용하기 위해서는 CVD합성법이나 화학적인 박리법 등과 같은 대량의 그래핀 제조법이 요구되며, 이러한 그래핀들의 산화거동을 알아 보는 것은 향후 산화 분위기에서 사용될 그래핀 응용소자 개발에 유용한 정보가 될 것이다. 본 연구에서는 그래핀 층수에 따른 산화 거동을 연구하기 위하여, 그래핀을 산화시킨 후 Raman 분광법과 AFM 분석을 통하여 광학적, 구조적 변화를 체계적으로 분석하였다. 그래핀은 니켈박막을 촉매층으로 이용한 실리콘 웨이퍼에 메탄가스를 원료가스로 한 CVD법으로 합성하였다. 효율적인 산화처리를 위해 합성한 그래핀은 홈이 있는 기판 위에 전사하여 산화반응시 기판의 영향을 제거하였다. 산화처리는 열 산화처리 및 플라즈마 산화처리로 나누어 각각 실시하였으며, 5분간의 산화처리와 특성평가를 반복적으로 실시하였다. 한편, 층수에 따른 산화 거동을 조사하기 위해서는, 합성한 그래핀 내에 존재하는 단층영역, 수층영역, 다층영역을 지정하여 매회 동일영역을 분석함으로써 산화 거동을 분석하였다.

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A Study on the Effect of Coal Properties on the Electrochemical Reactions in the Direct Carbon Fuel Cell System (석탄 물성에 따른 직접탄소 연료전지의 전기화학 반응 특성 연구)

  • Ahn, Seong-Yool;Eom, Seong-Yong;Rhie, Young-Hoon;Moon, Cheor-Eon;Sung, Yon-Mo;Choi, Gyung-Min;Kim, Duck-Jool
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.36 no.10
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    • pp.1033-1041
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    • 2012
  • Performance evaluation of a direct carbon fuel cell (DCFC) was conducted according to coals and a graphite particle. Several fuel properties such as thermal reactivity, textural structure, gas adsorption characteristic, and functional groups on the surface of fuels were investigated and their effects on electrochemistry were discussed. The strong carbon structure inside of fuels led the rapid potential decreasing in high current density region, because it caused small surface area and low pore volume. The functional groups on the surface were related to the low current density region. The maximum current density and power density of fuels were affected by the total carbon content in fuels. The effect of operating conditions such as stirring rate and operating temperature was investigated in this study.