• Title/Summary/Keyword: Chemical Analysis

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A Study on Accident Prediction Models for Chemical Accidents Using the Logistic Regression Analysis Model (로지스틱회귀분석 모델을 활용한 화학사고 사상사고 예측모형 개발 연구)

  • Lee, Tae-Hyung;Park, Choon-Hwa;Park, Hyo-Hyeon;Kwak, Dae-Hoon
    • Fire Science and Engineering
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    • v.33 no.6
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    • pp.72-79
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    • 2019
  • Through this study, we developed a model for predicting chemical accidents lead to casualties. The model was derived from the logistic regression analysis model and applied to the variables affecting the accident. The accident data used in the model was analyzed by studying the statistics of past chemical accidents, and applying independent variables that were statistically significant through data analysis, such as the type of accident, cause, place of occurrence, status of casualties, and type of chemical accident that caused the casualties. A significance of p < 0.05 was applied. The model developed in this study is meaningful for the prevention of casualties caused by chemical accidents and the establishment of safety systems in the workplace. The analysis using the model found that the most influential factor in the occurrence of casualty in accidents was chemical explosions. Therefore, there is an urgent need to prepare countermeasures to prevent chemical accidents, specifically explosions, from occurring in the workplace.

Comparison of Korean and Japanese Rice Cultivars in Terms of Physicochemical Properties (I) The Comparison of Korean and Japanese Rice by NIR and Chemical Analysis (한국 쌀과 일본 쌀의 물리화학적 특성 연구 (I) NIR을 사용한 한국 쌀과 일본 쌀의 품질 비교)

  • 김혁일
    • Journal of the East Asian Society of Dietary Life
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    • v.14 no.2
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    • pp.135-144
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    • 2004
  • A total of 40 Korean and Japanese rice varieties were evaluated for their main chemical components, physical properties, cooking quality, pasting properties, and instrumental measurements. Based on their quality evaluations, it was concluded that Korean and Japanese rice varieties were not significantly different in the basic components of NIR (Near Infra Red) data and the chemical analysis from the uncooked brown and milled rices. Korean rice had a little bit higher protein and amylose contents but much lower fat acidity than those of Japanese rice from the chemical analysis. From all the data of three different kinds of NIR methods, Korean and Japanese milled rice were very similar except the taste score. Japanese rice showed a slightly higher taste score, a little bit higher lightness and whiteness, but lower yellowness and redness than Korean one. From all those data of NIR and the chemical analysis, Korean and Japanese rices had very similar components except the fat content.

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Chemical Imaging Analysis of the Micropatterns of Proteins and Cells Using Cluster Ion Beam-based Time-of-Flight Secondary Ion Mass Spectrometry and Principal Component Analysis

  • Shon, Hyun Kyong;Son, Jin Gyeong;Lee, Kyung-Bok;Kim, Jinmo;Kim, Myung Soo;Choi, Insung S.;Lee, Tae Geol
    • Bulletin of the Korean Chemical Society
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    • v.34 no.3
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    • pp.815-819
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    • 2013
  • Micropatterns of streptavidin and human epidermal carcinoma A431 cells were successfully imaged, as received and without any labeling, using cluster $Au_3{^+}$ ion beam-based time-of-flight secondary ion mass spectrometry (TOF-SIMS) together with a principal component analysis (PCA). Three different analysis ion beams ($Ga^+$, $Au^+$ and $Au_3{^+}$) were compared to obtain label-free TOF-SIMS chemical images of micropatterns of streptavidin, which were subsequently used for generating cell patterns. The image of the total positive ions obtained by the $Au_3{^+}$ primary ion beam corresponded to the actual image of micropatterns of streptavidin, whereas the total positive-ion images by $Ga^+$ or $Au^+$ primary ion beams did not. A PCA of the TOF-SIMS spectra was initially performed to identify characteristic secondary ions of streptavidin. Chemical images of each characteristic ion were reconstructed from the raw data and used in the second PCA run, which resulted in a contrasted - and corrected - image of the micropatterns of streptavidin by the $Ga^+$ and $Au^+$ ion beams. The findings herein suggest that using cluster-ion analysis beams and multivariate data analysis for TOF-SIMS chemical imaging would be an effectual method for producing label-free chemical images of micropatterns of biomolecules, including proteins and cells.

A Study on the Analysis of Chemical Leakage Accidents Using CFD Simulation (CFD 시뮬레이션을 활용한 화학물질 누출사고 분석에 관한 연구)

  • Su-Bin An;Chang-Bong Jang;Kyung-Su Lee;Hye-Ok Kwon
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.33 no.3
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    • pp.346-354
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    • 2023
  • Objectives: Chemical accidents cause extensive human and environmental damage. Therefore, it is important to prepare measures to prevent their recurrence and minimize future damage through accident investigation. To this end, it is necessary to identify the accident occurrence process and analyze the extent of damage. In this study, the development process and damage range of actual chemical leakage accidents were analyzed using CFD. Methods: For application to actual chemical leakage accidents using FLACS codes specialized for chemical dispersion simulation among CFD codes, release rate calculation and 3D geometry were created, and scenarios for simulation were derived. Results: The development process of the accident and the dispersion behavior of materials were analyzed considering the influencing factors at the time of the accident. In addition, to confirm the validity of the results, we compared the results of the actual damage impact investigation and the simulation analysis results. As a result, both showed similar damage impact ranges. Conclusions: The FLACS code allows the detailed analysis of the simulated dispersion process and concentration of substances similar to real ones. Therefore, it is judged that the analysis method using CFD simulation can be usefully applied as a chemical accident investigation technique.

Chemical Compositional Distribution of Ethylene-1-Butene Copolymer Prepared with Heterogeneous Ziegler-Natta Catalyst: TREF and Crystaf Analysis

  • Ko, Young-Soo;Jeon, Jong-Ki;Yim, Jin-Heong;Park, Young-Kwon
    • Macromolecular Research
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    • v.17 no.5
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    • pp.296-300
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    • 2009
  • Ethylene-1-butene copolymers were prepared with $SiO_2$-supported $TiCl_4$ catalyst by changing of 1-butene/ethylene molar ratio in feed, and the resulting copolymers were analyzed using temperature rising elution fractionation (TREF) and crystallization fractionation (Crystaf) methods to investigated the influence of $C_4/C_2$ molar ratio in feed on chemical compositional distribution and other parameters such as molecular weight and its distribution. TREF analysis showed that the copolymers had a broad and bimodal chemical compositional distribution (CCD) regardless of the content of 1-butene in the copolymer. The chemical composition was in the range of 5 to 55 branches per 1,000 carbons for all copolymers prepared in the study. Furthermore, the broader CCD was revealed for the copolymers having the higher content of 1-butene. Crystaf analysis did not showed a bimodal CCD for the copolymers having the 1-butene content of less than 5.1 wt%. The lower crytalline part having 1-butene content in Crystaf analysis was less than of TREF analysis.

Synthesis and structure analysis of the bis(dicyclohexylammonium) chromate dihydrate complex, [(C6H11)2NH2]2[CrO4]·2H2O

  • Kim, Chong-Hyeak;Moon, Hyoung-Sil;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.20 no.5
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    • pp.448-451
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    • 2007
  • A new bis(dicyclohexylammonium) chromate dihydrate complex, $[(C_6H_{11})_2NH_2]_2[CrO_4]{\cdot}2H_2O$, (I), has been synthesized and its structure analyzed by FT-IR, EDS, elemental analysis, ICP-AES, and single crystal X-ray diffraction methods. The Cr(VI) complex (I) is tetragonal system, I${\bar{4}}$2d space group with a = 12.5196(1), b = 12.5196(1), c = $17.3796(3){\AA}$, a = ${\beta}$ = ${\gamma}$ = $90^{\circ}$, V = $2724.09(6){\AA}^3$, Z = 4. The crystal structure of complex (I) consists of tetrahedral chromate $[CrO_4]^{2-}$ anion, two organic dicyclohexylammonium $[(C_6H_{11})_2NH_2]^+$ cations and two lattice water molecules. The chromate anion and protonated dicyclohexylammonium cation is mainly constructed through the ionic bond. The cyclohexylammonium rings of the dicyclohexylammonium cation take the chair form and vertical configuration with each other. The N-H${\cdot}$O and O-H${\cdot}$O hydrogen bond networks between the $N_{dicyclohexylammonium}$, $O_{water}$ and $O_{chromate}$ atom lead to self-assembled molecular conformation and stabilize the crystal structure.

Recent Advances in MALDI-MS Based Quantitative Targeted Glycan Analysis (MALDI-MS 기반 당단백질 당쇄의 정량분석 기술 개발 연구 동향)

  • Kim, Kyoung-Jin;Kim, Yoon-Woo;Hwang, Cheol-Hwan;Park, Han-Kyu;Jeong, Jae Hyun;Kim, Yun-Gon
    • KSBB Journal
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    • v.30 no.5
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    • pp.230-238
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    • 2015
  • Abnormal glycosylation can significantly affect the intrinsic functions (i.e., stability and solubility) of proteins and the extrinsic protein interactions with other biomolecules. For example, recombinant glycoprotein therapeutics needs proper glycosylation for optimal drug efficacy. Therefore, there has been a strong demand for rapid, sensitive and high-through-put glycomics tools for real-time monitoring and fast validation of the biotherapeutics glycosylation. Although liquid chromatography tandem mass spectrometry (LC-MS/MS) is one of the most powerful tools for the characterization of glycan structures, it is generally time consuming and requires highly skilled personnel to collect the data and analyze the results. Recently, as an alternative method, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-MS), which is a fast, robust and easy-to-use instrumentation, has been used for quantitative glycomics with various chemical derivatization techniques. In this review, we highlight the recent advances in MALDI-MS based quantitative glycan analysis according to the chemical derivatization strategies. Moreover, we address the application of MALDI-MS for high-throughput glycan analysis in many fields of clinical and biochemical engineering.

Trend of In Silico Prediction Research Using Adverse Outcome Pathway (독성발현경로(Adverse Outcome Pathway)를 활용한 In Silico 예측기술 연구동향 분석)

  • Sujin Lee;Jongseo Park;Sunmi Kim;Myungwon Seo
    • Journal of Environmental Health Sciences
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    • v.50 no.2
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    • pp.113-124
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    • 2024
  • Background: The increasing need to minimize animal testing has sparked interest in alternative methods with more humane, cost-effective, and time-saving attributes. In particular, in silico-based computational toxicology is gaining prominence. Adverse outcome pathway (AOP) is a biological map depicting toxicological mechanisms, composed of molecular initiating events (MIEs), key events (KEs), and adverse outcomes (AOs). To understand toxicological mechanisms, predictive models are essential for AOP components in computational toxicology, including molecular structures. Objectives: This study reviewed the literature and investigated previous research cases related to AOP and in silico methodologies. We describe the results obtained from the analysis, including predictive techniques and approaches that can be used for future in silico-based alternative methods to animal testing using AOP. Methods: We analyzed in silico methods and databases used in the literature to identify trends in research on in silico prediction models. Results: We reviewed 26 studies related to AOP and in silico methodologies. The ToxCast/Tox21 database was commonly used for toxicity studies, and MIE was the most frequently used predictive factor among the AOP components. Machine learning was most widely used among prediction techniques, and various in silico methods, such as deep learning, molecular docking, and molecular dynamics, were also utilized. Conclusions: We analyzed the current research trends regarding in silico-based alternative methods for animal testing using AOPs. Developing predictive techniques that reflect toxicological mechanisms will be essential to replace animal testing with in silico methods. In the future, since the applicability of various predictive techniques is increasing, it will be necessary to continue monitoring the trend of predictive techniques and in silico-based approaches.

The Chemical COmposition Analysis by AES and XPS of PbTiO$_3$ Thin Films Fabricated by CVD (화학증착법에 의해 제조된 PbTiO$_3$ 박막의 AES와 XPS에 의한 조성분석)

  • Soon Gil Yoon;Ho Gi Kim
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1989.06a
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    • pp.83-86
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    • 1989
  • Lead titanate thin films with a perovskite structure were successfully structure were successfully fabricated on titanium substrate by Chemical Vapour Deposition(CVD). Analyses of Auger Electron Spectroscopy(AES) and X-ray Photoelectron Spectroscopy (XPS) have been performed in order to find a chemical composition of lead titanate films. The analysis of chemical composition by AES and XPS was investigated for variations of deposition temperature and Ti(C$_2$H$_{5}$O)$_4$ fractions. The chemical composition of PbTiO$_3$by XPS analysis was almost constant regardless of deposition parameters and the comparison of chemical composition by AES and XPS was performed.d.

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Cost-Benefit Analysis for the Accident in Chemical Plants (화학공장 사고에 대한 비용${\cdot}$편익 분석)

  • Jeong Taik-Sang;Yoo Jin-Hwan;Ko Jae-Wook
    • 한국가스학회:학술대회논문집
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    • 2005.10a
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    • pp.49-58
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    • 2005
  • A Cost-Benefit Analysis which would help us to make optical decisions among safety investment alternatives, calculating and comparing costs and benefits for facilities in chemical plants. As well as offering the related information in the decision makings for safety improvement, it promotes on-site safety activities and the efficiency of safety investments The developed Cost-Benefit Analysis will eventually contribute to our efforts in economically justifying the safety investments in chemical plants.

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