scholarly journals Specter: linear deconvolution as a new paradigm for targeted analysis of data-independent acquisition mass spectrometry proteomics

2017 ◽  
Author(s):  
Ryan Peckner ◽  
Samuel A Myers ◽  
Jarrett D Egertson ◽  
Richard S Johnson ◽  
Jennifer G. Abelin ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Open Source Software ◽  
Software Tool ◽  
Nucleotide Polymorphisms ◽  
Spectral Library ◽  
New Paradigm ◽  
Single Nucleotide ◽  
Data Independent Acquisition ◽  
Targeted Analysis ◽  
Peptide Precursors

AbstractMass spectrometry with data-independent acquisition (DIA) has emerged as a promising method to greatly improve the comprehensiveness and reproducibility of targeted and discovery proteomics, in theory systematically measuring all peptide precursors within a biological sample. Despite the technical maturity of DIA, the analytical challenges involved in discriminating between peptides with similar sequences in convoluted spectra have limited its applicability in important cases, such as the detection of single-nucleotide polymorphisms and alternative site localizations in phosphoproteomics data. We have developed Specter, an open-source software tool that uses linear algebra to deconvolute DIA mixture spectra directly in terms of a spectral library, circumventing the problems associated with typical fragment correlation-based approaches. We validate the sensitivity of Specter and its performance relative to other methods by means of several complex datasets, and show that Specter is able to successfully analyze cases involving highly similar peptides that are typically challenging for DIA analysis methods.

scholarly journals Metaproteomics boosted up by untargeted data-independent acquisition data analysis framework

2020 ◽  
Author(s):  
Sami Pietilä ◽  
Tomi Suomi ◽  
Laura L. Elo
Keyword(s):  
Mass Spectrometry ◽  
Open Source Software ◽  
Previous Method ◽  
Mass Spectrometry Data ◽  
Analysis Framework ◽  
Spectral Library ◽  
Microbial Composition ◽  
Data Independent Acquisition ◽  
Open Source Software Package ◽  
First Time

AbstractMass spectrometry based metaproteomics is a relatively new field of research that provides the ability to characterize the functionality of microbiota. Recently, we were the first to demonstrate the applicability of data-independent acquisition (DIA) mass spectrometry to the analysis of complex metaproteomic samples. This allowed us to circumvent many of the drawbacks of the conventionally used data-dependent acquisition (DDA) mass spectrometry, mainly the limited reproducibility when analyzing samples with complex microbial composition. However, the previous method still required additional DDA data on the samples to assist the DIA analysis. Here, we introduce, for the first time, a DIA metaproteomics approach that does not require any DDA data, but instead replaces a spectral library generated from DDA data with a pseudospectral library generated directly from the metaproteomics DIA samples. We demonstrate that using the new DIA-only approach, we can achieve higher peptide yields than with the DDA-assisted approach, while the amount of required mass spectrometry data is reduced to a single DIA run per sample. The new DIA-only metaproteomics approach is implemented as open-source software package DIAtools 2.0, which is freely available from DockerHub.

scholarly journals Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics

2018 ◽  
Vol 15 (5) ◽  
pp. 371-378 ◽  
Author(s):  
Ryan Peckner ◽  
Samuel A Myers ◽  
Alvaro Sebastian Vaca Jacome ◽  
Jarrett D Egertson ◽  
Jennifer G Abelin ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Data Independent Acquisition ◽  
Targeted Analysis

scholarly journals An Approach to Identify Individual Functional Single Nucleotide Polymorphisms and Isoform MicroRNAs

2019 ◽  
Vol 2019 ◽  
pp. 1-11 ◽  
Author(s):  
Ying Wang ◽  
Jidong Ru ◽  
Tao Jin ◽  
Ming Sun ◽  
Lizhu Jia ◽  
...  
Keyword(s):  
Risk Assessment ◽  
Single Nucleotide Polymorphisms ◽  
Disease Risk ◽  
Software Tool ◽  
Mature Mirnas ◽  
Nucleotide Polymorphisms ◽  
Sequencing Data ◽  
Single Nucleotide ◽  
1000 Genomes ◽  
Mirna Sequencing

MicroRNAs (miRNAs) and single nucleotide polymorphisms (SNPs) play important roles in disease risk and development, especially cancer. Importantly, when SNPs are located in pre-miRNAs, they affect their splicing mechanism and change the function of miRNAs. To improve disease risk assessment, we propose an approach and developed a software tool, IsomiR_Find, to identify disease/phenotype-related SNPs and isomiRs in individuals. Our approach is based on the individual’s samples, with SNP information extracted from the 1000 Genomes Project. SNPs were mapped to pre-miRNAs based on whole-genome coordinates and then SNP-pre-miRNA sequences were constructed. Moreover, we developed matpred2, a software tool to identify the four splicing sites of mature miRNAs. Using matpred2, we identified isomiRs and then verified them by searching within individual miRNA sequencing data. Our approach yielded biomarkers for biological experiments, mined functions of miRNAs and SNPs, improved disease risk assessment, and provided a way to achieve individualized precision medicine.

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