• 제목/요약/키워드: chemical graph

검색결과 92건 처리시간 0.038초

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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    • 제30권6호
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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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    • 제28권2호
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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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    • 제17권2호
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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).

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

  • 이주영;정재훈;김석철;황선웅;이춘수
    • 한국토양비료학회지
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    • 제33권2호
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    • pp.79-84
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    • 2000
  • 주요 과수재배지 토양에 대한 화학적 독성을 파악하기 위하여 사과 239, 배 369, 포도 168, 복숭아 101, 합계 877포장에서 주간 중간지점의 토양을 채취분석하여 토양화학적 특성에 따라 토양비옥도를 구분하였다. 주요 과수 주산단지 토양화학성분의 적정수준 비율은 3.0~65.2%로서 대부분의 과수원이 부적지였으며 토양층위별 화학성분은 하층으로 내려 갈수록 일정하게 감소되는 경향을 보여 시비관리가 동일한 지역에서는 표층토 20cm 깊이의 토양 화학성분 함량만 알면 층토의 성분함량을 추정할 수 있으며 또한 과종별 표토의 토양화학성분함량의 과부족율을 추정할 수 있었다.

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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
    • 농업과학연구
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    • 제43권2호
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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.

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

  • 고영주;주나미
    • 한국식품조리과학회지
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    • 제21권4호
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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 $44\%$.

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

  • 김자희;이태억
    • 한국경영과학회:학술대회논문집
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    • 대한산업공학회/한국경영과학회 2002년도 춘계공동학술대회
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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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대구지역 굴착암석의 물리적 특성 (Physical Properties of Excavated Rocks in Taegu Area)

  • 이상호;차완용;김영수;이재호
    • 한국농공학회:학술대회논문집
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    • 한국농공학회 1999년도 Proceedings of the 1999 Annual Conference The Korean Society of Agricutural Engineers
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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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반응 위험성분석 및 사고방지를 위한 스마트 합성경로 탐색시스템 (Smart Synthetic Path Search System for Prevention of Hazardous Chemical Accidents and Analysis of Reaction Risk)

  • 정준수;김창완;곽동호;신동일
    • Korean Chemical Engineering Research
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    • 제57권6호
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    • pp.781-789
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    • 2019
  • 연구실 실험, 파일럿 플랜트 및 반응기 운전 중 화학물질에 의한 안전사고가 발생하고 있다. 합성 실험을 시작하기전 사고예방을 위해 관련 정보들을 찾아볼 필요가 있으며, 공정설계 단계에서도 반응 폭주 예방을 위한 반응정보의 확보는 필수적이다. 합성반응 관련 정보는 인터넷을 포함해 다양한 source가 존재하지만, 검색에 오랜 시간이 걸리고, 합성법마다 사용되는 물질도 달라 적정경로 선택의 어려움이 있다. 연구자들의 합성경로 검색시간단축과 합성 시 존재할 수 있는 위험성 및 중간생성물질들의 확인에 도움을 주고자 본 연구는 스마트 합성경로 탐색시스템을 제안하였다. 제안한 탐색시스템은 Python 패키지인 Selenium을 사용한 Web scraping 및 Web crawling을 통해 인터넷에 존재하는 정보를 수집하여 DB를 자동으로 갱신한다. 경로 탐색 알고리즘은 depth-first search에 기반하여 목표 물질을 기준으로 탐색을 진행하고, 유해화학물질 등급, 수율 등을 구분하여, 제한된 경로 단계 수치내에 있는 모든 합성 경로를 제안한다. 또한 각자의 연구 목적에 맞게 연구원들이 가진 비공개 데이터를 형식을 맞춰 DB에 등록하여 확장할 수 있다. 시스템은 차후에 무료 사용이 가능하도록 open source로 공개할 예정이다. 개발 시스템은 연구자들이 제안된 경로를 참고하여 더 안전한 반응 방법을 찾고, 사고의 예방에도 도움을 줄 것으로 기대된다.

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

  • 이환구;차재혁
    • 한국정보과학회논문지:데이타베이스
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    • 제31권6호
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    • pp.641-649
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    • 2004
  • 약물의 화학적 구조와 그 약물의 약리작용간의 연관성은, 'Medicinal Chemistry' 분야에서 활발히 연구된다. 이는 화학구조를 기반으로 하여 신약을 설계하려는 시도로서, 약학자는 신약 개발 시 만들고자 하는 약물과 비슷한 화학구조를 가지고 있는 기존 약물들에는 어떠한 것들이 있는지 조사하며, 특정 화학구조가 어떤 약물들에서 나타나는지 신속히 검색하기를 원한다. 이처럼 어떤 화차구조에서, 특정한 부분구조가 존재하는지를 검사하는 것을 부분구조검색(Substructure Searching)이라 하며, 이는 그래프 이론에서 NP-complete인 동형성 판정(Subgraph Isomorphism) 문제로 귀결된다. 검색 시간을 단축시키고자 여러 다른 전근방법들이 연구되었는데, 1990년대에는 구조에 대한 인덱스를 미리 만들어 RDBMS에 저장한 후, 검색시 이론 이용하여 성능을 높이는 방법으로 미국 특허를 획득한 RS3 시스템(http://www.acelrys.com/rs3)이 현재 상용화되어 쓰이고 있다. 본 논문에서는 RS3 시스템의 문제점을 규명하고, 이의 개선방안으로서 새로운 인덱스를 제안한다 RS3 시스템은 각 원자를 중심으로 다른 원자와의 구조를 문자연로 표현하고, 부분구조검색 쿼리를 부분문자열 검색을 실행함으로써 수행하는데, 이의 화학구조를 기술하는 인덱스에는 동일 원자, 동릴 결합에 대한 정렬이 불가능하여 재현율(Recall)과 정도(Precision)가 낮다. 이론 개선하기 위하여 본 논문에서는 2차원의 화학구조를 나누어 1차원의 구조 단편으로 만들고 이를 문자열로 기술하는 방안을 제시하며 구체적인 방법으로 한 인자를 중심으로 최소비용신장트리를 구성한 다음 레벨별로 경로를 나누어 기술하는 방안을 제안하며, 이와 같은 방법의 새로운 인덱스로 재현율과 정도가 급격히 향상됨을 보인다.