• Title/Summary/Keyword: chemical graph

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Application of Organized Media for Rapid Spectrofluorimetric Determination of Trace Amounts of Cr(VI) in the Presence of Cr(III)

  • Madrakian, Tayyebeh;Afkhami, Abbas;Mohammadnejad, Masoumeh
    • Bulletin of the Korean Chemical Society
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    • v.30 no.6
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    • pp.1252-1256
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    • 2009
  • A simple, selective and sensitive fluorescence quenching method was developed to the determination Cr(VI). The method is based on the oxidation of $I^-\;to\;{{I_3}^-}$ by Cr(VI) in sulfuric acid solution followed by immediate formation of ion association compound between I3 − and rhodamine 6G in Tween-80 micellar media at room temperature. The influence of several surfactants on rhodamine 6G fluorescence signal was studied; particular attention was paid in the aggregation behavior of rhodamine 6G–Tween-80 system. The experimental parameters (e.g., type of surfactant, reagent concentration) were studied and the optimal conditions were established. The linear calibration graph was obtained in the range 2.0 - 100.0 ng m$L^{-1}$ Cr(VI). The detection limit of the method was 0.37 ng m$L^{-1}$. The relative standard deviation (R.S.D.) is less than 5% (n = 5). The efficiency of the method for the determination of Cr(VI) in the presence of Cr(III) in the sample was investigated. The method was applied successfully to the determination of Cr(VI) and total Cr in water, and liver tissue samples.

The Use of Crude Extract of Kohlrabi (Brassica oleracea gongylodes) as a Source of Peroxidase in the Spectrofluorimetric Determination of Thiamine

  • Amjadi, Mohammad;Manzoori, Jamshid L.;Orooji, Maghsood
    • Bulletin of the Korean Chemical Society
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    • v.28 no.2
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    • pp.246-250
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    • 2007
  • The crude extract of kohlrabi (Brassica oleracea gongylodes) was prepared as a rich source of peroxidase and its enzymatic and specific activities in the presence of cross-linked polyvinylpyrrolidone as a stabilizer were determined. This extract was used to catalyze the oxidation of thiamine in the presence of hydrogen peroxide to thiochrome at pH 8.0. Thiochrome shows strong fluorescence at 436 nm with excitation at 370 nm. Based on the obtained results, a sensitive and simple spectrofluorimetric method was developed for the determination of thiamine. In the optimum conditions, the calibration graph was linear from 2 × 10-7 to 1 × 10-4 mol L-1, with a detection limit of 6.2 × 10-8 mol L-1. The relative standard deviation (RSD) was 1.2% for 5 × 10-6 mol L-1 thiamine. The method was successfully applied to the determination of thiamine in vitamin B1 and vitamin B complex tablets and vitamin B complex syrup.

PharmacoNER Tagger: a deep learning-based tool for automatically finding chemicals and drugs in Spanish medical texts

  • Armengol-Estape, Jordi;Soares, Felipe;Marimon, Montserrat;Krallinger, Martin
    • Genomics & Informatics
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    • v.17 no.2
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    • pp.15.1-15.7
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    • 2019
  • Automatically detecting mentions of pharmaceutical drugs and chemical substances is key for the subsequent extraction of relations of chemicals with other biomedical entities such as genes, proteins, diseases, adverse reactions or symptoms. The identification of drug mentions is also a prior step for complex event types such as drug dosage recognition, duration of medical treatments or drug repurposing. Formally, this task is known as named entity recognition (NER), meaning automatically identifying mentions of predefined entities of interest in running text. In the domain of medical texts, for chemical entity recognition (CER), techniques based on hand-crafted rules and graph-based models can provide adequate performance. In the recent years, the field of natural language processing has mainly pivoted to deep learning and state-of-the-art results for most tasks involving natural language are usually obtained with artificial neural networks. Competitive resources for drug name recognition in English medical texts are already available and heavily used, while for other languages such as Spanish these tools, although clearly needed were missing. In this work, we adapt an existing neural NER system, NeuroNER, to the particular domain of Spanish clinical case texts, and extend the neural network to be able to take into account additional features apart from the plain text. NeuroNER can be considered a competitive baseline system for Spanish drug and CER promoted by the Spanish national plan for the advancement of language technologies (Plan TL).

Chemical Properties of Korean Orchard Soils in Main Apple, Pear, Graph and Peach Producing Area (우리나라 사과, 배, 포도 및 복숭아 주산지 토양의 화학적 특성)

  • Lee, Ju-Young;Jung, Jae-Hoon;Kim, Seok-Cheol;Hwang, Seon-Woong;Lee, Choon-Soo
    • Korean Journal of Soil Science and Fertilizer
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    • v.33 no.2
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    • pp.79-84
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    • 2000
  • The aim of this study was to evaluate the chemical properties of orchard soils through which their soil fertilities were discriminated. Total 877 soil samples in major orchard area, i.e. from 239 apple, 369 pear, 168 grape, 101 peach orchards, were examed on the basis of temporary optimal range for each component. The levels of fertility were ranged from 3.0 to 65.2% compared to optimum fertility, suggesting that almost orchard soils contained inadequately soil components. The contents of chemical component have a tendency to decrease with soil depth gradually from surface to subsoil. This meaned that the contents of various components in subsoil could be estimated on the basis of analysis of surface soil, using the linearly fitted equations of the relationship between component in subsoil and in surface at least to which fertility were samely managed. Furthermore, even when only the content of components in 20cm depth surface soil was analyzed, it could be determined whether the amount of each component in the surface soil is surplus or deficient.

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Feeding behaviors of Cacopsylla pyricola (Hemiptera: Psyllidae) using electrical penetration graphs (EPGs)

  • Park, Min-Woo;Kwon, Hay-Ri;Yu, Yong-Man;Youn, Young-Nam
    • Korean Journal of Agricultural Science
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    • v.43 no.2
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    • pp.194-204
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    • 2016
  • The pear psylla, Cacopsylla pyricola, is a very small sap-feeding insect of many commercial pear varieties that could be considered the most serious insect pest of pear. Detailed information on plant penetration activities of the pear psylla is essential to study its feeding behavior used to evaluate resistant traits to chemical control. The application of the electrical penetration graph technique (EPG) could provide a relevant insight into the nature of this resistance. EPG waveforms of C. pyricola were characterized on the basis of amplitude, frequency, voltage level, and electrical origin. Feeding behaviors of C. pyricola were recorded and analyzed by EPG analysis. During EPG monitoring, waveform PA occurred at the start of stylet penetration of pear leaf epidermal cell. Waveform PB followed, in which stylet secreted saliva was observed. Waveforms PC1 and PC2 involved penetrating and sucking behaviors in parenchyma cells and vascular parenchyma, respectively. In addition, waveform PC1 represented salivation into bundle sheath cells and ingestion from parenchyma. Otherwise, behaviors of salivation into phloem and ingestion from phloem produced waveforms PE1 and PE2, respectively. On the other hand, ingestion from xylem tissues showed waveform PG. Among the feeding patterns of C. pyricola described above, phloem feeding patterns occurred most frequently, followed by xylem feeding and parenchyma penetration patterns in descending order.

Quality Characteristic and Optimization of Iced Cookie with Addition of Jinuni bean(Rhynchosia volubilis) (쥐눈이콩(鼠目太) 첨가 냉동쿠키의 품질특성 및 최적화)

  • Ko, Young-Joo;Joo, Na-Mi
    • Korean journal of food and cookery science
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    • v.21 no.4 s.88
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    • pp.514-527
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    • 2005
  • The purposes of this study were firstly to optimize the recipe for iced cookies by cooking with five different ingredient levels of $Jinuni\;bean(X_1),\;butter(X_2)\;&\;sugar(X_3)$ and secondly to analyze the chemical and sensory test results by using RSM(Response Surface Methodology). As a result of this test, water activity decreased with increasing contents of butter or sugar, while hydrophilic browning decreased independently with increasing sugar content. There was a positive correlation(p<.001) between specific gravity and hardness, although the result was not uniform due to the interaction of each factor. There was a negative correlation(p<.001) between the spread ratio and gravity or hardness, and it tended to increase with increasing each content. Color value L and color value a had positive correlation (p<.001) and the value tended to decrease with increasing the quantity of Jinuni bean. Generally, the strength of the cookies showed a saddle point at the peak of the 3d graph. As a result of sensory evaluation, the color was sensitive to the contents of sugar and Jinuni bean, the texture was sensitive to the contents of butter and sugar, and the taste and overall quality were sensitive to all three factors. Color had a positive correlation(p<.05) with the taste, texture and overall quality. There were high positive correlations(p<.001) between the taste, texture and overall quality. The preference data showed an up-swollen, parabolic shape in the center of the 34 graph, which enabled the optimum value to be determined and the optimum mixture ratio which fulfilled all sensory items was Jinuni bean 93g, butter 188.5g and sugar 155g, indicating a substitution of flour by $44\%$.

Discrete Event System with Bounded Random Time Variation (제한된 시간변동을 갖는 시간제약 이산사건시스템의 스케줄링 분석)

  • Kim Ja Hui;Lee Tae Eok
    • Proceedings of the Korean Operations and Management Science Society Conference
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    • 2002.05a
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    • pp.923-929
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    • 2002
  • We discuss scheduling analysis for a discrete event system with time windows of which firing or holding time delays are subject to random variation within some finite range. To do this, we propose a modified p-lime Petri net, named p+-time Petri net. We develop a condition for which a synchronized transition does not have a dead token, that is, the firing epochs do not violate the time window constraints. We propose a method of computing the feasible range of the token sojourn time at each place based on a time difference graph. We also discuss an application for analyzing wafer residency times within the process chambers for a dual-armed cluster tool for chemical vapor deposition.

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Physical Properties of Excavated Rocks in Taegu Area (대구지역 굴착암석의 물리적 특성)

  • 이상호;차완용;김영수;이재호
    • Proceedings of the Korean Society of Agricultural Engineers Conference
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    • 1999.10c
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    • pp.265-270
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    • 1999
  • At this study, we investigated the chemical component and the mineral granular composition of sedimentary rock and others where were distributed in Taegu area and compared correlations with each data through the various physicla and mechanical characteristic test. As the result, d and E, they are kinds of granite, which contain much albite than others were proved to be strong by mechanical tests and the correlation moduli were proved to be more than 0.8 except P wave velocity-Poisson's ration relation when examined Elastic moduluous -Poisson's ration, P, wave velocity-Uniaxial compression strength, Elastic modulous -Uniaxial compression strength and Uniaxial compression strength-Poisson's ration correlation function graph.

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Smart Synthetic Path Search System for Prevention of Hazardous Chemical Accidents and Analysis of Reaction Risk (반응 위험성분석 및 사고방지를 위한 스마트 합성경로 탐색시스템)

  • Jeong, Joonsoo;Kim, Chang Won;Kwak, Dongho;Shin, Dongil
    • Korean Chemical Engineering Research
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    • v.57 no.6
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    • pp.781-789
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    • 2019
  • There are frequent accidents by chemicals during laboratory experiments and pilot plant and reactor operations. It is necessary to find and comprehend relevant information to prevent accidents before starting synthesis experiments. In the process design stage, reaction information is also necessary to prevent runaway reactions. Although there are various sources available for synthesis information, including the Internet, it takes long time to search and is difficult to choose the right path because the substances used in each synthesis method are different. In order to solve these problems, we propose an intelligent synthetic path search system to help researchers shorten the search time for synthetic paths and identify hazardous intermediates that may exist on paths. The system proposed in this study automatically updates the database by collecting information existing on the Internet through Web scraping and crawling using Selenium, a Python package. Based on the depth-first search, the path search performs searches based on the target substance, distinguishes hazardous chemical grades and yields, etc., and suggests all synthetic paths within a defined limit of path steps. For the benefit of each research institution, researchers can register their private data and expand the database according to the format type. The system is being released as open source for free use. The system is expected to find a safer way and help prevent accidents by supporting researchers referring to the suggested paths.

An Index Structure for Substructure Searching In Chemical Databases (화학 데이타베이스에서 부분구조 검색을 위한 인덱스 구조)

  • Lee Hwangu;Cha Jaehyuk
    • Journal of KIISE:Databases
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    • v.31 no.6
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    • pp.641-649
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    • 2004
  • The relationship between chemical structures and biological activities is researched briskly in the area of 'Medicinal Chemistry' At the base of these structure-based drug design tries, medicinal chemists search the existing drugs of similar chemical structure to target drug for the development of a new drug. Therefore, it is such necessary that an automatic system selects drug files that have a set of chemical moieties matching a user-defined query moiety. Substructure searching is the process of identifying a set of chemical moieties that match a specific query moiety. Testing for substructure searching was developed in the late 1950s. In graph theoretical terms, this problem corresponds to determining which graphs in a set are subgraph isomorphic to a specified query moiety. Testing for subgraph isomorphism has been proved, in the general case, to be an NP- complete problem. For the purpose of overcoming this difficulty, there were computational approaches. On the 1990s, a US patent has been granted on an atom-centered indexing scheme, used by the RS3 system; this has the virtue that the indexes generated can be searched by direct text comparison. This system is commercially used(http://www.acelrys.com/rs3). We define the RS3 system's drawback and present a new indexing scheme. The RS3 system treats substructure searching with substring matching by means of expressing chemical structure aspredefined strings. However, it has insufficient 'rerall' and 'precision‘ because it is impossible to index structures uniquely for same atom and same bond. To resolve this problem, we make the minimum-cost- spanning tree for one centered atom and describe a structure with paths per levels. Expressing 2D chemical structure into 1D a string has limit. Therefore, we break 2D chemical structure into 1D structure fragments. We present in this paper a new index technique to improve recall and precision surprisingly.