• 제목/요약/키워드: Error Quantification

검색결과 108건 처리시간 0.021초

LC/MS/MS를 이용한 원숭이 및 비글견의 간 및 장관 조직에서의 Doxifluridine과 대사체 5-FU 동시분석법 개발 (Simultaneous Determination of Doxifluridine and 5-FU in Liver and Intestine Tissue Using LC/MS/MS)

  • 우영아;김기환;정은주;김충용
    • 약학회지
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    • 제52권2호
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    • pp.93-100
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    • 2008
  • A liquid chromatographic method with tandom spectrometric detection (LC/MS/MS) for the simultaneous determination of doxifluridine and its active metabolite, 5-fluorouracil (5-FU) was developed over the concentration range of $5{\sim}2000$ ng/ml, respectively. Doxifluridine, 5-FU and internal standard, 5-chlorouracil (5-CU), were extracted from liver and intestine tissue via protein precipitation. Acetonitrile was used as the extraction solvent and the supernatant was evaporated and reconstructed in mobile phase. Optimum chromatographic separation was achieved on a Agilent Zorbax $C_{18}$ ($100\;mm{\times}2.1\;mm$, $3.5\;{\mu}m$) column with mobile phase run in isocratic with methanol : water (20 : 80, v/v). The flow rate was 0.2 ml/min with total cycle time of 5 min. The lower limit of quantification was validated at 5.0 ng/ml of liver and intestine tissue, for both doxifluridine and 5-FU, respectively. The intra-day and inter-day precision and accuracy of quality control (QC) samples were <11% coefficient of variation and <7% relative error from theoretical concentration for both analytes. In addition, the special designed stability study was performed, because the metabolism of doxifluridine occurs spontaneously even in ice bath for monkey liver. The stability of doxifluridine in liver and intestine of monkey and beagle dog was compared. It was found that bioanalytical validation could not be performed for the monkey liver; however, beagle dog's liver has relatively low speed of metabolism compared to monkey liver and instead of monkey liver, beagle dog's liver could be used for the validation. Bioanalytical validation could be performed in monkey intestine. Eventually, this developed method for liver and intestine will be useful in support of the toxicokinetic and pharmacokinetic studies of doxifluridine and 5-FU.

Simultaneous Analysis of Conazole Fungicides in Garlic by Q-TOF Mass Spectrometer Coupled with a Modified QuEChERS Method

  • Bong, Min-Sun;Yang, Si-Young;Lee, Seung-Ho;Seo, Jung-Mi;Kim, In-Seon
    • 한국환경농학회지
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    • 제30권3호
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    • pp.323-329
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    • 2011
  • BACKGROUND: The conazoles, difenoconazole, diniconazole, hexaconazole, penconazole and tetraconazole are a large class of synthetic fungicides used extensively for foliage and seed treatments in agricultural crops. The extensive use of conazoles has brought concerns on the potentiality of environmental contamination and toxicity. Thus studies on the development of methods for monitoring the conazoles are required. METHODS AND RESULTS: A modified quick, easy, effective, rugged and safe (QuEChERS) method was involved in sample preparation. Quadrapole time of flight mass spectrometer (Q-TOF MS) in electron spray ionization (ESI) mode was employed to determine conazoles in garlic samples. The limit of detection (LOD) and limit of quantification (LOQ) of conazoles by Q-TOF-MS ranged from 0.001 to 0.002 mg/L and 0.002 to 0.005 mg/L, respectively. Q-TOF-MS analysis exhibited less than 2.6 ppm error of accurate mass measurements for the detection of conazoles spiked at 0.05 mg/L in garlic matrix. Recovery values of conazoles fortified in garlic samples at 0.02, 0.05 and 0.1 mg/L were between 79.2 and 106.2% with a maximum 11.8% of standard deviation. No detectable conazoles were found in the domestic market samples by using the Q-TOF-MS method. CONCLUSION(s): High degree of confirmation for conazoles by accurate mass measurements demonstrated that Q-TOF-MS analysis combined with a QuEChERS method may be applicable to simultaneous determination of conazoles in garlic samples.

Inter- and Intra-Observer Variability of the Volume of Cervical Ossification of the Posterior Longitudinal Ligament Using Medical Image Processing Software

  • Shin, Dong Ah;Ji, Gyu Yeul;Oh, Chang Hyun;Kim, Keung Nyun;Yoon, Do Heum;Shin, Hyunchul
    • Journal of Korean Neurosurgical Society
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    • 제60권4호
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    • pp.441-447
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    • 2017
  • Objective : Computed tomography (CT)-based method of three dimensional (3D) analysis ($MIMICS^{(R)}$, Materialise, Leuven, Belgium) is reported as very useful software for evaluation of OPLL, but its reliability and reproducibility are obscure. This study was conducted to evaluate the accuracy of $MIMICS^{(R)}$ system, and inter- and intra-observer reliability in the measurement of OPLL. Methods : Three neurosurgeons independently analyzed the randomly selected 10 OPLL cases with medical image processing software ($MIMICS^{(R)}$) which create 3D model with Digital Imaging and Communication in Medicine (DICOM) data from CT images after brief explanation was given to examiners before the image construction steps. To assess the reliability of inter- and intra-examiner intraclass correlation coefficient (ICC), 3 examiners measured 4 parameters (volume, length, width, and length) in 10 cases 2 times with 1-week interval. Results : The inter-examiner ICCs among 3 examiners were 0.996 (95% confidence interval [CI], 0.987-0.999) for volume measurement, 0.973 (95% CI, 0.907-0.978) for thickness, 0.969 (95% CI, 0.895-0.993) for width, and 0.995 (95% CI, 0.983-0.999) for length. The intra-examiner ICCs were 0.994 (range, 0.991-0.996) for volume, 0.996 (range, 0.944-0.998) for length, 0.930 (range, 0.873-0.947) for width, and 0.987 (range, 0.985-0.995) for length. Conclusion : The medical image processing software ($MIMICS^{(R)}$) provided detailed quantification OPLL volume with minimal error of inter- and intra-observer reliability in the measurement of OPLL.

Application of Near-Infrared Reflectance Spectroscopy to Rapid Determination of Seed Fatty Acids in Foxtail Millet (Setaria italica (L.) P. Beauv) Germplasm

  • Lee, Young Yi;Kim, Jung Bong;Lee, Sok Young;Lee, Ho Sun;Gwag, Jae Gyun;Kim, Chung Kon;Lee, Yong Beom
    • 한국육종학회지
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    • 제42권5호
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    • pp.448-454
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    • 2010
  • The objective of this study was to rapidly evaluate fatty acids in a collection of foxtail millet (Setaria italica (L.) P. Beauv) of different origins so that this information could be disseminated to breeders to advance germplasm use and breeding. To develop the calibration equations for rapid and nondestructive evaluation of fatty acid content, near-infrared reflectance spectroscopy (NIRs) spectra (1104-2494 nm) of samples ground into flour (n=100) were obtained using a dispersive spectrometer. A modified partial least-squares model was developed to predict each component. For foxtail millet germplasm, our models returned coefficients of determination ($R^2$) of 0.91, 0.89, 0.98 and 0.98 for strearic acid, oleic acid, linoleic acid, and total fatty acids, respectively. The prediction of the external validation set (n=10) showed significant correlation between references values and NIRs values ($r^2=0.97$, 0.91, 0.99 for oleic, linoleic, and total fatty acids, respectively). Standard deviation/standard error of cross-validation (SD/SECV) values were greater than 3 (3.11, 5.45, and 7.50 for oleic, linoleic, and total fatty acids, respectively). These results indicate that these NIRs equations are functional for the mass screening and rapid quantification of the oleic, linolenic, and total fatty acids characterizing foxtail millet germplasm. Among the samples, IT153491 showed an especially high content of fatty acids ($84.06mg\;g^{-1}$), whereas IT188096 had a very low content ($29.92mg\;g^{-1}$).

영상 및 NFC 기반 실시간 시약 계량 등록 시스템 (Image and NFC based Real Time Reagent Measurement and Registration System)

  • 이근우;정상호;정회경
    • 한국정보통신학회논문지
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    • 제23권6호
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    • pp.652-658
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    • 2019
  • 사물인터넷을 이화학, 약학, 생물학 및 의학 등 다양한 연구실험분야에 적용한 경우 다양한 센서와 기기를 부착하여 지능적으로 연구장비 및 환경을 모니터링하고 제어함으로써 연구실험자의 안전성과 편의성을 증대시킬 수 있다. 시약의 정확하고 편리한 기록관리 및 실험과정의 연구이력과 근거, 역추적성 등을 위해서는 실시간 시약 계량 및 등록의 연구지원 자동화 서비스를 제공해야 한다. 현재 기존 시약관리방법은 전산 관리방법을 이용하지만 시약등록과 관리가 일체화된 자동화가 많이 이루어져 있지 않다. 또한 수기에 의한 기록 관리가 대부분으로 실험에 대한 기록오류 및 많은 시약에 대한 계량 및 등록에 대한 소요시간이 큰 점 등 번거로움과 문제점들이 많다. 이에 본 논문에서는 영상인식 및 NFC(Near Field Communication) 방식에 의한 시약 등록과 동시에 전자저울로 계량 측정된 시약정보를 자동으로 관리할 수 있는 IoT 기반 실시간 시약 계량 및 등록 방법을 연구하였다.

Raman spectroscopic analysis to detect olive oil mixtures in argan oil

  • Joshi, Rahul;Cho, Byoung-Kwan;Joshi, Ritu;Lohumi, Santosh;Faqeerzada, Mohammad Akbar;Amanah, Hanim Z;Lee, Jayoung;Mo, Changyeun;Lee, Hoonsoo
    • 농업과학연구
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    • 제46권1호
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    • pp.183-194
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    • 2019
  • Adulteration of argan oil with some other cheaper oils with similar chemical compositions has resulted in increasing demands for authenticity assurance and quality control. Fast and simple analytical techniques are thus needed for authenticity analysis of high-priced argan oil. Raman spectroscopy is a potent technique and has been extensively used for quality control and safety determination for food products In this study, Raman spectroscopy in combination with a net analyte signal (NAS)-based methodology, i.e., hybrid linear analysis method developed by Goicoechea and Olivieri in 1999 (HLA/GO), was used to predict the different concentrations of olive oil (0 - 20%) added to argan oil. Raman spectra of 90 samples were collected in a spectral range of $400-400cm^{-1}$, and calibration and validation sets were designed to evaluate the performance of the multivariate method. The results revealed a high coefficient of determination ($R^2$) value of 0.98 and a low root-mean-square error (RMSE) value of 0.41% for the calibration set, and an $R^2$ of 0.97 and RMSE of 0.36% for the validation set. Additionally, the figures of merit such as sensitivity, selectivity, limit of detection, and limit of quantification were used for further validation. The high $R^2$ and low RMSE values validate the detection ability and accuracy of the developed method and demonstrate its potential for quantitative determination of oil adulteration.

Nuclear Magnetic Resonance (NMR)-Based Quantification on Flavor-Active and Bioactive Compounds and Application for Distinguishment of Chicken Breeds

  • Kim, Hyun Cheol;Yim, Dong-Gyun;Kim, Ji Won;Lee, Dongheon;Jo, Cheorun
    • 한국축산식품학회지
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    • 제41권2호
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    • pp.312-323
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    • 2021
  • The purpose of this study was to use 1H nuclear magnetic resonance (1H NMR) to quantify taste-active and bioactive compounds in chicken breasts and thighs from Korean native chicken (KNC) [newly developed KNCs (KNC-A, -C, and -D) and commercial KNC-H] and white-semi broiler (WSB) used in Samgye. Further, each breed was differentiated using multivariate analyses, including a machine learning algorithm designed to use metabolic information from each type of chicken obtained using 1H-13C heteronuclear single quantum coherence (2D NMR). Breast meat from KNC-D chickens were superior to those of conventional KNC-H and WSB chickens in terms of both taste-active and bioactive compounds. In the multivariate analysis, meat portions (breast and thigh) and chicken breeds (KNCs and WSB) could be clearly distinguished based on the outcomes of the principal component analysis and partial least square-discriminant analysis (R2=0.945; Q2=0.901). Based on this, we determined the receiver operating characteristic (ROC) curve for each of these components. AUC analysis identified 10 features which could be consistently applied to distinguish between all KNCs and WSB chickens in both breast (0.988) and thigh (1.000) meat without error. Here, both 1H NMR and 2D NMR could successfully quantify various target metabolites which could be used to distinguish between different chicken breeds based on their metabolic profile.

A Systems Engineering Approach for Predicting NPP Response under Steam Generator Tube Rupture Conditions using Machine Learning

  • Tran Canh Hai, Nguyen;Aya, Diab
    • 시스템엔지니어링학술지
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    • 제18권2호
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    • pp.94-107
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    • 2022
  • Accidents prevention and mitigation is the highest priority of nuclear power plant (NPP) operation, particularly in the aftermath of the Fukushima Daiichi accident, which has reignited public anxieties and skepticism regarding nuclear energy usage. To deal with accident scenarios more effectively, operators must have ample and precise information about key safety parameters as well as their future trajectories. This work investigates the potential of machine learning in forecasting NPP response in real-time to provide an additional validation method and help reduce human error, especially in accident situations where operators are under a lot of stress. First, a base-case SGTR simulation is carried out by the best-estimate code RELAP5/MOD3.4 to confirm the validity of the model against results reported in the APR1400 Design Control Document (DCD). Then, uncertainty quantification is performed by coupling RELAP5/MOD3.4 and the statistical tool DAKOTA to generate a large enough dataset for the construction and training of neural-based machine learning (ML) models, namely LSTM, GRU, and hybrid CNN-LSTM. Finally, the accuracy and reliability of these models in forecasting system response are tested by their performance on fresh data. To facilitate and oversee the process of developing the ML models, a Systems Engineering (SE) methodology is used to ensure that the work is consistently in line with the originating mission statement and that the findings obtained at each subsequent phase are valid.

JPEG 영상 복원을 위한 다중 모드 채도 복원과 연산 재배열 기반의 시간 최적화된 컬러 변환 (Time-optimized Color Conversion based on Multi-mode Chrominance Reconstruction and Operation Rearrangement for JPEG Image Decoding)

  • 김영주
    • 한국컴퓨터정보학회논문지
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    • 제14권1호
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    • pp.135-143
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    • 2009
  • 최근 모바일 장치에서 고해상도 영상의 인코딩 및 디코딩에 대한 요구가 늘어남에 따라 효율적인 영상 코덱 개발의 필요성이 증대되고 있다. 본 논문은 JPEG 디코딩 과정에서 IDCT 변환과 컬러변환 배열간의 선형성을 바탕으로 이들 연산순서를 재배열함으로써 컬러변환 과정에서 요구되는 계산 횟수를 줄이고 재배열된 부동소수점 연산에 정수 맵핑을 적용하여 시간 복잡도를 줄임으로써 실행시간을 크게 단축하는 컬러변환 기법을 제안한다. 또한, 제안된 기법은 연산 재배열 및 정수 맵핑의 양자화오류로 인한 화질 저하를 다중 모드 채도 재구성 기법을 적용하여 보상하도록 한다. 임베디드 시스템 개발 플랫폼에서의 성능평가를 통해 제안 된 기법이 기존의 컬러변환 기법들과 비교하여 복원 영상의 화질 저하를 최소화하면서 실행시간을 크게 단축함을 알 수 있었다.

레이저유도붕괴분광법을 활용한 토양의 정량분석 (Quantitative Elemental Analysis in Soils by using Laser Induced Breakdown Spectroscopy(LIBS))

  • 장용선;이계준;이정태;황선웅;진용익;박찬원;문용희
    • 한국토양비료학회지
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    • 제42권5호
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    • pp.399-407
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    • 2009
  • 레이저 유도붕괴 분광법(LIBS)은 물질상태(고체, 액체, 기체)에 상관없이 신체 접촉시 오염 우려 및 미량 시료도 전처리 없이 동시에 많은 종류의 원소 분석으로 분석과정이 단순하고 신속하게 분석이 가능하며, 소형화된 레이저의 개발로 시료의 직접적인 채취가 어려운 조건의 현장분석에도 적합하다. 농산물 안정성 평가나 친환경 농업 및 정밀농업을 위한 조사 등에 활용될 수 있는 비파괴 실시간 정량분석기술로서 LIBS 분석법의 토양분석 가능성을 평가하고자 표준광물, 미국의 표준기술연구소의 표준토양, 미국 테네시주 초지 및 밭토양을 대상으로 토양 구성성분의 정성 정량적 분석에 필요한 측정조건을 조사하고 이를 토대로 LIBS에 의한 농도값과 기존의 화학분석법을 통해 측정한 결과를 비교하였다. LIBS 측정은 펄스형 Nd:YAG 레이저(Minilite II, Continuum, Santa Clara, CA)에서 나오는 1064 nm 에너지 파장의 광원을 시편의 플라즈마를 생성시키는데 사용하였고, 25 mJ/pulse 여기 에너지 빔을 펄스폭 35 ns, 펄스 반복 주기 10 Hz, 노출시간 10 s 동안 시료의 표면에 조사하였다. LIBS 분광은 0.03 nm의 해상력으로 200 nm에서 600 nm의 영역에서 50 m 이하로 분쇄하여 원형 펠렛 형태로 압축시킨 시료를 10 rpm의 속도로 회전시키면서 상온 상압의 실험실 조건에서 수행되었다. LIBS를 이용한 토양 중 주요한 원소의 적정 파장(nm)은 Al(I) 309.2 nm, Ca(I) 422.6 nm, Fe(I) 406.4 nm, Mg(I) 285.2 nm, Na(I) 589.2 nm, Si(I) 288.2 nm, Ti(I) 398.9 nm 이었다. LIBS의 피크강도가 물질 중 원소의 농도가 증가됨에 따라 각 원소의 특정 파장대에서 일정하게 증가되는 것으로 나타나고 있으나 표준물질의 LIBS의 신호비와 원소비를 통해 측정된 검량곡선의 상관계수($r^2$)는 0.863에서 0.977의 범위로 원소별로 상이할 뿐만 아니라 0.98에 미치지 못하였다. 또한, 토양 중 분석대상원소에 대하여 기존 ICP-AES에 의한 표준방법으로 분석된 시료의 측정값과 비교하여 상대적인 오차는 대략적으로 (-)40%에서 80%이상이며, 평균오차는 32.2%로 표준척도 20% 이상을 초과하였다. LIBS에 의한 토양분석은 토양의 조성과 입자의 크기에 따른 매질효과(matrix effect)로 표준물질의 검량곡선에서 결정계수가 낮고, 원소별 함량도 기준의 표준방법과 비교할 때 오차가 컸다. 따라서 LIBS에 의한 토양분석은 정성적인 분석 수준의 정밀도를 보였으며, 토양 매질의 영향을 최소화하기 위하여 기존의 분쇄 펠렛형 시료조제 및 회전측정 이외의 다양한 토양매질의 표준물질(standard reference material)의 확보, 새로운 전처리 방법 및 측정상 방법개선 등 신뢰성 있는 정량 분석을 위한 노력이 필요할 것으로 사료된다.