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    题名: 蛋白質質譜資料質量校正之模擬研究
    其它题名: A Simulation Study on the Alignment Approach for Mass Spectrometry
    作者: 薛慧敏
    贡献者: 政治大學統計系
    行政院國家科學委員會
    关键词: Mass spectrometry;peak detection;peak alignment;continuous wavelet transformation
    日期: 2006
    上传时间: 2012-08-30 09:58:47 (UTC+8)
    摘要: 本計畫將針對蛋白質質譜圖(mass spectrum)資料，其事前處理(preprocessing)程序中的校正(alignment)步驟進行研究。此種資料主要來自MALDI(Matrix Assisted Laser Desorption and Ionization)與SELDI(Surface Enhanced Laser Desorption and Ionization)實驗。由此實驗得到生物樣本之質譜圖(mass spectrum, MS) ，圖中包括蛋白質之質量電荷比(mass-to-charge, m/z)以及強度(intensity)之資料。由於實驗程序複雜，此時使得資料中充滿雜訊。其中研究人員發現蛋白質質量電荷比時常出現明顯位移狀況，若資料未經過適當的處理，則將無法得知個別質譜儀上的蛋白質的確實質量電荷比，另外更導致在後續的資料分析階段，誤將數個相異的蛋白質視為相同蛋白質資料，而一同列入分析中，得到錯誤結論，故『校正』為重要的事前處理(preprocess)程序之一。Yasui等人(2003)提出一區間校正法(alignment window approach) ，Jeffries(2005)則考慮運用cubic splines來配適各質譜圖與某對照(reference)質譜圖之間的關係，以進行校正。此類質譜圖資料處理與分析的研究多數皆以實際資料組進行運用，故其結論難以推廣，也難以進行有效的比較。Coombes等人(2004)研究MALDI質譜儀實驗中的物理特性，並提出一數學模型。本研究計畫將應用此數學模型於電腦模擬，設計出合理模擬實驗。之後將針對Yasui等人(2003)與Jeffries(2005)所提出的校正方法，進行電腦模擬驗證，得到較為一般化的結果。
    This research aims to study the alignment step in preprocessing the mass spectrometry (MS) data. Two popular mass spectrometry experiments are SELDI (Surface Enhanced Laser Desorption and Ionization) and MALDI (Matrix Assisted Laser Desorption and Ionization). A mass spectrum of a biological sample consists of intensities and corresponding mass-to-charge (m/z) values of proteins. Due to the complex nature of the experiment, the data full of noise. It』s found that the location of a protein often shifts across spectra. The inconsistency may result in erroneously identifying the signals from proteins with similar weight. Alignment is thus an essential step in data preprocessing. Yasui et al.(2003) developed a crude alignment window approach. Jeffries (2005) considered fitting cubic splines with respect to each spectrum to a reference target spectra. Both studies investigated preprocessing and analytical approaches for MS data based on real example data sets. The conclusions are thus limited and unable to be generalized. Coombes et al.(2004) studied the physical properties of a mass spectrometer and proposed a mathematical model. In this study, we plan to apply their model to conduct a more realistic simulation. The alignment methods proposed by Yasui et al.(2003) and Jeffries (2005) will be then validated based on the simulation for general conclusions.
    關聯: 基礎研究
    學術補助
    研究期間:9508 ~ 9607
    研究經費:464仟元
    数据类型: report
    显示于类别:[統計學系] 國科會研究計畫

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