基于等质量肽段末端标记策略的质谱鉴定新算法
发布时间：2018-12-10 19:02
【摘要】：等质量肽段末端标记(Isobaric peptide termini labeling,IPTL)是一种使用轻、重同位素分别对肽段的C端和N端进行等重标记的技术。在对使用这种标记技术得到的数据进行一级谱分析时,由于肽段的质量相同,不会增加样本的复杂性,而在处理二级谱的数据时,可利用成对的b、y离子进行分析。本研究利用IPTL方法得到的实验数据设计了一种新的打分算法:全部离子打分算法(All ions scoring algorithm,AISA)。AISA在对数据进行处理时,可以同时得到定性和定量信息。在Q-Exactive He La和Human-HCC-HL数据集上的蛋白定量覆盖率分别达到99%和100%。在Q-Exactive He La 2D RPLC数据集上,AISA算法鉴定到的PSM、唯一肽段和蛋白质分别比Morpheus高15%、26%和22%。在Human-HCC-HL数据集上,AISA算法鉴定到的PSM、唯一肽段和蛋白质分别比Morpheus高24%、39%和27%。在Q-Exactive He La和Human-HCC-HL数据集上蛋白质定量比值的平均值非常接近1,分别为1.18和0.90;在0.5~2.0区间内的定量比值分别为91%和94%。
[Abstract]:Isomeric peptide terminal labeling (Isobaric peptide termini labeling,IPTL) is a technique using light and heavy isotopes to label the C-terminal and N-terminal of the peptide respectively. In the first order spectral analysis of the data obtained by using this marking technique, the complexity of the sample will not be increased because of the same quality of the peptide segment, but when the data of the secondary spectrum is processed, the pair of By ions can be used to analyze the data. In this study, a new scoring algorithm is designed based on the experimental data obtained by IPTL method. When the data are processed by (All ions scoring algorithm,AISA). AISA, both qualitative and quantitative information can be obtained. The quantitative protein coverage on Q-Exactive He La and Human-HCC-HL datasets was 99% and 100%, respectively. On the Q-Exactive He La 2D RPLC dataset, the unique peptide and protein of PSM, identified by AISA algorithm were 15% and 22% higher than those of Morpheus, respectively. On the Human-HCC-HL dataset, the unique peptide and protein of PSM, identified by AISA algorithm were 24% and 27% higher than those of Morpheus, respectively. The average values of protein quantitative ratios on Q-Exactive He La and Human-HCC-HL datasets were very close to 1 (1.18 and 0.90, respectively), and the quantitative ratios in the range of 0.5 and 2.0 were 91% and 94%, respectively.
【作者单位】： 北京理工大学生命学院;中国科学院大连化学物理研究所;
【基金】：国家重大科学仪器设备开发专项基金(No.2012YQ04014005)项目资助~~
【分类号】：O629.73;O657.63
，
本文编号：2371058
[Abstract]:Isomeric peptide terminal labeling (Isobaric peptide termini labeling,IPTL) is a technique using light and heavy isotopes to label the C-terminal and N-terminal of the peptide respectively. In the first order spectral analysis of the data obtained by using this marking technique, the complexity of the sample will not be increased because of the same quality of the peptide segment, but when the data of the secondary spectrum is processed, the pair of By ions can be used to analyze the data. In this study, a new scoring algorithm is designed based on the experimental data obtained by IPTL method. When the data are processed by (All ions scoring algorithm,AISA). AISA, both qualitative and quantitative information can be obtained. The quantitative protein coverage on Q-Exactive He La and Human-HCC-HL datasets was 99% and 100%, respectively. On the Q-Exactive He La 2D RPLC dataset, the unique peptide and protein of PSM, identified by AISA algorithm were 15% and 22% higher than those of Morpheus, respectively. On the Human-HCC-HL dataset, the unique peptide and protein of PSM, identified by AISA algorithm were 24% and 27% higher than those of Morpheus, respectively. The average values of protein quantitative ratios on Q-Exactive He La and Human-HCC-HL datasets were very close to 1 (1.18 and 0.90, respectively), and the quantitative ratios in the range of 0.5 and 2.0 were 91% and 94%, respectively.
【作者单位】： 北京理工大学生命学院;中国科学院大连化学物理研究所;
【基金】：国家重大科学仪器设备开发专项基金(No.2012YQ04014005)项目资助~~
【分类号】：O629.73;O657.63
，
本文编号：2371058
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