• Title/Summary/Keyword: Chemical database

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Problems and solutions for HNS Database for physico-chemical properties and preparation and response information (HNS 물질정보와 대응정보 Database의 문제점과 해결방안)

  • Park, Mi-Ok;Min, Seung-Hwan;Lee, Ye-Ji;Jeon, Mi-Hae;Kim, Hyeong-Gyu;Chun, Se-Jung;Lee, Moon-Jin;Oh, Sang-Woo
    • Proceedings of KOSOMES biannual meeting
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    • 2017.11a
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    • pp.164-164
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    • 2017
  • 국내 해양관련 HNS 데이터베이스의 정보를 구축하는 중에 확인된 문제점들은 크게 두 가지로 요약된다. 첫 번째는 물질정보가 없는 경우로서, 많은 경우 자연물질로 다양한 성분을 함유하고 있으며, 이외에도 이성질체 및 동족체 화합물로서 확인된다. 두 번째로는 국내 HNS DB의 출처가 다양하여, 정제되지 않은 경우인데 물질정보의 환경조건이 상이하거나 같은 조건에서도 서로 다른 정보가 혼재하는 경우이다. 이러한 문제점을 해결하기 위해, 유럽의 GESAMP에서 제시한 보고서와 미국 CAMEO를 참조하여 누락정보를 확보하였으며 두 데이터베이스의 명명법의 차이에서 오는 누락 정보를 두 데이터베이스의 유사명 자료비교와 화학구조를 이용해 확인하였다. 자연물질과 그룹화합물들도 주요성분의 자료를 활용하였으며, 이성질체의 경우 단일성분의 자료를 기입하거나, 위험성이 높은 성분의 자료를 선택해서 기입하였다. 물질정보 중 IMDG 등급의 경우 주위험성외에 부위험성의 중요성을 고려하여 HNS DB에 새로 기입하였으며, 부록으로 HS 번호 부여 및 해양환경거동분류를 첨부하였다. 향후 아직 남아있는 누락정보의 확보를 위해서는 GESAMP circular report를 확보하도록 할 필요성이 있다고 판단된다.

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Development of a building materials database; Volatile organic compounds, formaldehyde emission rates and chemical compositions (건축자재의 오염물질 방출 데이터베이스 개발; 휘발성유기화합물, 폼알데하이드 방출강도 및 화학조성)

  • Yu, Young-Jae;Lee, Chul-Won;Kim, Man-Goo
    • Analytical Science and Technology
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    • v.22 no.1
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    • pp.57-64
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    • 2009
  • A material database has been developed for VOCs and formaldehyde emitted from building materials in this study. New classification system has been made by correlating the classification methods used in Korean Air Cleaning and Environmental Protection Agency. The developed databases include emission rates of TVOC, 5VOC and formaldehyde emitted from each building material. In addition, the databases can be used as an input variable to estimate indoor air quality (IAQ) using computer simulation since they also contain chemical component and general imformation. Box plot was used to do statistical analysis for emission rates of formaldehyde and TVOCs from different types of building materials. Also we confirmed the building materials worsening IAQ by categorizing the emission characteristic of different types of pollutants.

Current status of Atomic and Molecular Data for Low-Temperature Plasmas

  • Yoon, Jung-Sik;Song, Mi-Young;Kwon, Deuk-Chul
    • Proceedings of the Korean Vacuum Society Conference
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    • 2015.08a
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    • pp.64-64
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    • 2015
  • Control of plasma processing methodologies can only occur by obtaining a thorough understanding of the physical and chemical properties of plasmas. However, all plasma processes are currently used in the industry with an incomplete understanding of the coupled chemical and physical properties of the plasma involved. Thus, they are often 'non-predictive' and hence it is not possible to alter the manufacturing process without the risk of considerable product loss. Only a more comprehensive understanding of such processes will allow models of such plasmas to be constructed that in turn can be used to design the next generation of plasma reactors. Developing such models and gaining a detailed understanding of the physical and chemical mechanisms within plasma systems is intricately linked to our knowledge of the key interactions within the plasma and thus the status of the database for characterizing electron, ion and photon interactions with those atomic and molecular species within the plasma and knowledge of both the cross-sections and reaction rates for such collisions, both in the gaseous phase and on the surfaces of the plasma reactor. The compilation of databases required for understanding most plasmas remains inadequate. The spectroscopic database required for monitoring both technological and fusion plasmas and thence deriving fundamental quantities such as chemical composition, neutral, electron and ion temperatures is incomplete with several gaps in our knowledge of many molecular spectra, particularly for radicals and excited (vibrational and electronic) species. However, the compilation of fundamental atomic and molecular data required for such plasma databases is rarely a coherent, planned research program, instead it is a parasitic process. The plasma community is a rapacious user of atomic and molecular data but is increasingly faced with a deficit of data necessary to both interpret observations and build models that can be used to develop the next-generation plasma tools that will continue the scientific and technological progress of the late 20th and early 21st century. It is therefore necessary to both compile and curate the A&M data we do have and thence identify missing data needed by the plasma community (and other user communities). Such data may then be acquired using a mixture of benchmarking experiments and theoretical formalisms. However, equally important is the need for the scientific/technological community to recognize the need to support the value of such databases and the underlying fundamental A&M that populates them. This must be conveyed to funders who are currently attracted to more apparent high-profile projects.

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Surface-Engineered Graphene surface-enhanced Raman scattering Platform with Machine-learning Enabled Classification of Mixed Analytes

  • Jae Hee Cho;Garam Bae;Ki-Seok An
    • Journal of Sensor Science and Technology
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    • v.33 no.3
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    • pp.139-146
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    • 2024
  • Surface-enhanced Raman scattering (SERS) enables the detection of various types of π-conjugated biological and chemical molecules owing to its exceptional sensitivity in obtaining unique spectra, offering nondestructive classification capabilities for target analytes. Herein, we demonstrate an innovative strategy that provides significant machine learning (ML)-enabled predictive SERS platforms through surface-engineered graphene via complementary hybridization with Au nanoparticles (NPs). The hybridized Au NPs/graphene SERS platforms showed exceptional sensitivity (10-7 M) due to the collaborative strong correlation between the localized electromagnetic effect and the enhanced chemical bonding reactivity. The chemical and physical properties of the demonstrated SERS platform were systematically investigated using microscopy and spectroscopic analysis. Furthermore, an innovative strategy employing ML is proposed to predict various analytes based on a featured Raman spectral database. Using a customized data-preprocessing algorithm, the feature data for ML were extracted from the Raman peak characteristic information, such as intensity, position, and width, from the SERS spectrum data. Additionally, sophisticated evaluations of various types of ML classification models were conducted using k-fold cross-validation (k = 5), showing 99% prediction accuracy.

Knowledge Modeling and Database Construction for Human Biomonitoring Data (인체 바이오모니터링 지식 모델링 및 데이터베이스 구축)

  • Lee, Jangwoo;Yang, Sehee;Lee, Hunjoo
    • Journal of Food Hygiene and Safety
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    • v.35 no.6
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    • pp.607-617
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    • 2020
  • Human bio-monitoring (HBM) data is a very important resource for tracking total exposure and concentrations of a parent chemical or its metabolites in human biomarkers. However, until now, it was difficult to execute the integration of different types of HBM data due to incompatibility problems caused by gaps in study design, chemical description and coding system between different sources in Korea. In this study, we presented a standardized code system and HBM knowledge model (KM) based on relational database modeling methodology. For this purpose, we used 11 raw datasets collected from the Ministry of Food and Drug Safety (MFDS) between 2006 and 2018. We then constructed the HBM database (DB) using a total of 205,491 concentration-related data points for 18,870 participants and 86 chemicals. In addition, we developed a summary report-type statistical analysis program to verify the inputted HBM datasets. This study will contribute to promoting the sustainable creation and versatile utilization of big-data for HBM results at the MFDS.

LIfe Cycle Assessment(LCA) for Calculation of the Carbon Emission Amount of Organic Farming Material -With Oyster-shell, Expanded Rice Hull, Bordeaux Mixture Liquid- (유기농자재의 탄소배출량 산정을 위한 전과정평가(LCA) -패화석, 팽연왕겨, 보르도액을 중심으로-)

  • Yoon, Sung-Yee;Yang, Dong-Wook
    • Korean Journal of Organic Agriculture
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    • v.20 no.4
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    • pp.475-490
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    • 2012
  • Since 1997, Korean Ministry of Knowledge Economy and Ministry of Environment have established data on some 400 basic raw and subsidiary materials and process like energy, petro-chemical, steel, cement, glass, paper, construction materials, transportation, recycling and disposal etc by initiating establishment of LCI database. Regarding agriculture, Rural Development Administration has conducted establishment of LCI database for major farm products like rice, barley, beans, cabbage and radish etc from 2009, and released that they would establish LCI database for 50 items until 2020 later on. The domestic LCI database for seeds, seedling, agrochemical, inorganic, fertilizer and organic fertilizer etc is only at initial stage of establishment, so overseas LCI databases are brought and being used. However, since the domestic and overseas natural environments differ, they fall behind in reliability. Therefore, this study has the purpose to select organic farming materials, survey the production process for various types of organic farming materials and establish LCI database for the effects of greenhouse gas emitted by each crop during the process. As for selecting methods, in this study organic farming materials were selected in the method of direct observation of material and bottom-up method a survey method with focus on the organic farming materials admitted into rice production. For the basic unit of carbon emission amount by the production of 1kg of organic farming material, the software PASS 4.1.1 developed by Korea Accreditation Board under Ministry of Knowledge Economy was used. The study had the goal to ultimately provide basic unit to calculate carbon emission amount in executing many institutions like goal management system and carbon performance display system etc in agricultural sector to be conducted later on. As a result, emission basic units per 1kg of production were calculated to be 0.04968kg-$CO_2$ for oystershells, 0.004692kg-$CO_2$ for expanded rice hull, and 1.029kg-$CO_2$ for bordeaux mixture liquid.

The Quality Specialities in Turkiye's Honies for Apitherapy

  • Inanc, Betul Battaloglu
    • Journal of Pharmacopuncture
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    • v.23 no.4
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    • pp.194-200
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    • 2020
  • Objectives: In this study, the content of the honey produced by the flora of Turkey', physical, chemical and biological research aimed at active properties. Methods: Searched the database EMBASE/Pubmed and Turkish Medicine Index research article about Turkiye honeys' specialities. Results: Different botanical sources were caused, different kinds of chemical compositions of the honeys. The amount of HMF, pH, moisture, and acidity are the chemical qulity criteria of the honey. Carbohydrates are seem the most important components of honey. The glycemic index of the consumed honey is important. Turkiye's honey quality seems apropiate for using apitherapy. Conclusion: Honey is the most important product of beekeeping all over the world in terms of economy and health. Manufacturers of honey should be careful while producing honey. They should be avoided unhealty situations and they should be obey the rules. These rules are the basis for protecting our health by consuming bee products.

Review of Database Configuration of Manure Characteristics, Analysis Methods, Bio-methane Potential Test for High Solid Manure Recycling (고상 가축 분뇨 자원화를 위한 데이터베이스 구성에 따른 분뇨특성, 분석방법 및 바이오가스 평가 방법에 대한 고찰)

  • Choi, Yong-Jun;Lee, Sang-Rak
    • Journal of Animal Environmental Science
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    • v.21 no.1
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    • pp.9-20
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    • 2015
  • The livestock manure recycling have been performed worldwide because of its environmental and economic benefits. However, domestic standard protocol was nothing for high solid manure. Therefore, This paper was conducted to review database configuration of manure characteristics, analysis methods, bio-methane potential test for high solid manure recycling. In American society of agricultural engineers standard, manure characteristics indicated about sort of thirty types. This is important information to determine for manure recycling method. Furthermore, in order to determine exact manure characteristics recommended that synchronized chemical analysis method among studies. Bio-methane potential tests are widely performed in studies about estimation of organic substrates methane production. Although various methods and parameters were used, was no standard protocol and guideline in domestic. Bio-methane potential test methods and parameters were reviewed through various researches. Consequently, this paper is expected that assist to additional studies and manure characteristic database.

Cereal Resources in National BioResource Project of Japan

  • Sato, Kazuhiro;Endo, Takashi R.;Kurata, Nori
    • Interdisciplinary Bio Central
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    • v.2 no.4
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    • pp.13.1-13.8
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    • 2010
  • The National BioResource Project of Japan is a governmental project to promote domestic/international research activities using biological resources. The project has 27 biological resources including three cereal resources. The core center and sub-center which historically collected the cereal resources were selected for each cereal program. These resources are categorized into several different types in the project; germplasm, genetic stocks, genome resources and database information. Contents of rice resources are wild species, local varieties in East and Southwest Asia & wild relatives, MNU-induced chemical mutant lines, marker tester lines, chromosome substitution lines and other experimental lines. Contents of wheat resources are wild strains, cultivated strains, experimental lines, rye wild and cultivated strains; EST clones and full-length cDNA clones. Contents of barley resources are cultivar and experimental lines, core collection, EST/cDNA clones, BAC clones, their filters and superpool DNA. Each resource is accessible from the online database to see the contents and information about the resources. Links to the genome information and genomic tools are also important function of each database. The major contents and some examples are presented here.

Ecological Risk Assessment of Chemicals of Concern for Initiation of Ecorisk-based Water Quality Standards in Korea (생태수질기준설정을 위한 대상물질의 생태위해성 평가)

  • An, Youn-Joo;Nam, Sun-Hwa;Kim, Yong-Hwa
    • Journal of Korean Society on Water Environment
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    • v.24 no.5
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    • pp.592-597
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    • 2008
  • Current water quality standard (WQS) in Korea is based on the protection of human health, not considering the protection of aquatic organisms. Most of chemicals can be toxic to ecological biota as well as human. Health of aquatic biota is closely related to the human health via food chain, therefore ecological risk based-WQS needs to be developed to protect the aquatic ecosystem. In this study, we selected the 31 chemicals in the Project entitled 'Development of integrated methodology for evaluation of water environment'. The methodology for calculating water quality criteria was derived from the Australian and New Zealand processes for deriving guideline trigger value for aquatic ecosystem. The available ecotoxicity data were collected from US EPA's ECOTOXicology Database (ECOTOX), TOX-2000 Database, European Chemicals Bureau (ECB)'s International Uniform Chemical Information Database (IUCLID) and Environmental Protection Agency (US EPA)'s report 'Ambient Water Quality Criteria (AWQC)'. The aquatic toxicity data for the Korean species were selected for risk assessment to reflect the Korean water environment. The monitoring values were calculated from the water quality monitoring data four main Korean rivers. We suggested the order of priorities of chemicals based on ecological risk assessment. We expect that these results can be useful information for establishing the WQS for the protection of aquatic ecosystem.