spectrum prediction
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Author(s):  
Niranjana Radhakrishnan ◽  
Sithamparanathan Kandeepan ◽  
Xinghuo Yu ◽  
Gianmarco Baldini

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yi Yang ◽  
Guoquan Yan ◽  
Siyuan Kong ◽  
Mengxi Wu ◽  
Pengyuan Yang ◽  
...  

AbstractLarge-scale profiling of intact glycopeptides is critical but challenging in glycoproteomics. Data independent acquisition (DIA) is an emerging technology with deep proteome coverage and accurate quantitative capability in proteomics studies, but is still in the early stage of development in the field of glycoproteomics. We propose GproDIA, a framework for the proteome-wide characterization of intact glycopeptides from DIA data with comprehensive statistical control by a 2-dimentional false discovery rate approach and a glycoform inference algorithm, enabling accurate identification of intact glycopeptides using wide isolation windows. We further utilize a semi-empirical spectrum prediction strategy to expand the coverage of spectral libraries of glycopeptides. We benchmark our method for N-glycopeptide profiling on DIA data of yeast and human serum samples, demonstrating that DIA with GproDIA outperforms the data-dependent acquisition-based methods for glycoproteomics in terms of capacity and data completeness of identification, as well as accuracy and precision of quantification. We expect that this work can provide a powerful tool for glycoproteomic studies.


Author(s):  
Jun Zhou ◽  
Zheng Zhu ◽  
Jiajia Qian ◽  
Zhenzhen Ge ◽  
Shuting Wu

2021 ◽  
Author(s):  
Jiabei Yuan ◽  
Yucheng Hou ◽  
Zhimin Tan

Abstract Fatigue analysis of flexible risers is a demanding task in terms of time and computational resources. The traditional time domain approach may take weeks of time in global simulation, local modelling and post-processing of riser responses to get fatigue results. Baker Hughes developed a fast hybrid approach, which is based on a frequency domain technique. The new approach was first implemented at the end fitting region and then to all other regions of the riser. Studies showed that the hybrid approach achieved convenient and conservative results in a significant shorter period of time. To improve the accuracy and reduce conservatism of the method, Baker Hughes has further optimized the analysis procedure to seek better results approaching true solutions. Several methods were proposed and studied. The duration of representative cases and noncritical cases have been extended. The steps to predict stress spectrum based on transfer functions have also been updated. From previous studies, only one transfer function was built for fatigue load cases with similar response spectra. This assumption linearizes the system response and produces certain level of discrepancy against true time domain solution. In this study, multiple ways of spectrum prediction are evaluated and compared. The paper summarizes several techniques to further optimize the hybrid frequency domain approach. The updated fatigue results are found to be more accurate. The optimized approach therefore gives more flexibility to engineers to approach the true solutions, which were originally acquired from full 3-hr time domain simulations. The approach requires less analysis time and reduces iterations in pipe structure and riser configuration design, which leads to faster project execution and potential cost reduction.


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