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A maximum-likelihood approach to absolute protein quantification in mass spectrometry

Chao Ji, Yong Fuga Li, Earl P. Bellinger, Sujun Li, Randy J. Arnold, Predrag Radivojac, Haixu Tang
2015 Proceedings of the 6th ACM Conference on Bioinformatics, Computational Biology and Health Informatics - BCB '15  
Label-free absolute protein quantification refers to a process of estimating protein abundances in complex biological samples based on the data acquired from a liquid chromatography mass spectrometry (  ...  In this work, we developed a new algorithm for absolute quantification of proteins.  ...  This research was supported in part by Lilly Endowment, Inc., through its support for the Indiana University Pervasive Technology Institute, and in part by the Indiana METACyt Initiative.  ... 
doi:10.1145/2808719.2808750 dblp:conf/bcb/JiLBLART15 fatcat:oenafvfauncwxivkc2iu2gzita

On protein abundance distributions in complex mixtures

JA Koziol, NM Griffin, F Long, Y Li, M Latterich, JE Schnitzer
2013 Proteome Science  
Quantitative proteomic mass spectrometry on biological samples focuses on identifying the proteins present in the samples, and establishing the relative abundances of those proteins.  ...  We have previously introduced a normalized, label-free method for quantification of protein abundances under a shotgun proteomics platform (Griffin et al., 2010) .  ...  There are at present three principal methods of quantifying proteins via mass spectrometry: labeling approaches such as iTRAQ and SILAC, which aim to reduce experimental variance and allow relative comparison  ... 
doi:10.1186/1477-5956-11-5 pmid:23360617 pmcid:PMC3599228 fatcat:f7qf2sbbarfazgnvcmapubwngu

Bioinformatics Tools for Mass Spectrometry-Based High-Throughput Quantitative Proteomics Platforms

Alexey V. Nefedov, Miroslaw J. Gilski, Rovshan G. Sadygov
2011 Current Protoemics  
Liquid chromatography, coupled to mass spectrometry, has been widely used as a proteomics technique for discovering differentially expressed proteins in biological samples.  ...  The use of different approaches to data processing and analyses is among the factors which contribute to inconsistent conclusions.  ...  When peptide ratios were assembled into a protein ratio using maximum likelihood point estimation, it was shown that this approach is more accurate than averaging ratios [68] .  ... 
doi:10.2174/157016411795678020 pmid:23002391 pmcid:PMC3448448 fatcat:4xvdmkdxufe4xhdswqrt3zpk4u

Computational prediction of proteotypic peptides for quantitative proteomics

Parag Mallick, Markus Schirle, Sharon S Chen, Mark R Flory, Hookeun Lee, Daniel Martin, Jeffrey Ranish, Brian Raught, Robert Schmitt, Thilo Werner, Bernhard Kuster, Ruedi Aebersold
2006 Nature Biotechnology  
Several mass spectrometry-based quantitative proteomics methods attempt to comprehensively identify and quantify constituent proteins in complex mixtures 2,3 .  ...  Possible applications of proteotypic peptides include validation of protein identifications, absolute quantification of proteins, annotation of coding sequences in genomes, and characterization of the  ...  ACKNOWLEDGMENTS The authors are grateful to Julien Gagneur for fruitful discussions and the Cellzome biochemistry, mass spectrometry and informatics teams for generating and managing data.  ... 
doi:10.1038/nbt1275 pmid:17195840 fatcat:aqfp3cpsqfggrmvnbmqua6zwk4

Capture and analysis of quantitative proteomic data

King Wai Lau, Andrew R. Jones, Neil Swainston, Jennifer A. Siepen, Simon J. Hubbard
2007 Proteomics  
A variety of tools and approaches are available, in part restricted by the nature of the experiment to be performed and available instrumentation.  ...  These tools must deal with a variety of issues, including identification of labelled and unlabelled peptide species, location of the corresponding mass spectrometry scans in the experiment, construction  ...  ,including ExGen grant EGM17685 to KLW and SJH, BBSB17204 (ISPIDER) to JAS and SJH, Pedro (BBSB12407) to ARJ, SJH, and the BBSRC funded Manchester Centre for Integrative Systems Biology which supports  ... 
doi:10.1002/pmic.200700127 pmid:17640002 pmcid:PMC2260796 fatcat:dah5ykur4nazthkqivfy73rqeq

MARQUIS: A multiplex method for absolute quantification of peptides and posttranslational modifications

Timothy G. Curran, Yi Zhang, Daniel J. Ma, Jann N. Sarkaria, Forest M. White
2015 Nature Communications  
To address these issues, we have developed MARQUIS -Multiplex Absolute Regressed Quantification with Internal Standards -a novel mass spectrometry-based approach using a combination of isobaric tags and  ...  Absolute quantification of protein expression and post-translational modifications by mass spectrometry has been challenging due to a variety of factors, including the potentially large dynamic range of  ...  This work was supported by in part by a grant from the US-Israel Binational Science Foundation and by NIH grants U54 CA112967, R01 CA118705, and R01 CA096504.  ... 
doi:10.1038/ncomms6924 pmid:25581283 pmcid:PMC4293043 fatcat:6clwhwhkqjfotdolwvzrg6f7hu

Targeted proteomics by selected reaction monitoring mass spectrometry: applications to systems biology and biomarker discovery

Sarah Elschenbroich, Thomas Kislinger
2011 Molecular Biosystems  
Mass Spectrometry-based proteomics is now considered a relatively established strategy for protein analysis, ranging from global expression profiling to the identification of protein complexes and specific  ...  Recently, Selected Reaction Monitoring Mass Spectrometry (SRM-MS) has become increasingly popular in proteome research for the targeted quantification of proteins and post-translational modifications.  ...  In fact, a study by the Aebersold group has shown that neither approach can be generally favoured for absolute protein quantification. 67 In an effort to compare the two quantification platforms, the  ... 
doi:10.1039/c0mb00159g pmid:20976349 fatcat:wbuf5ndaargvtndoka3m5x7wsq

Nonparametric Bayesian Evaluation of Differential Protein Quantification

Oliver Serang, A. Ertugrul Cansizoglu, Lukas Käll, Hanno Steen, Judith A. Steen
2013 Journal of Proteome Research  
Arbitrary cutoffs are ubiquitous in quantitative computational proteomics: maximum acceptable MS/MS PSM or peptide q value, minimum ion intensity to calculate a fold change, the minimum number of peptides  ...  Here we introduce a novel experimental setup and nonparametric Bayesian algorithm for determining the statistical quality of a proposed differential set of proteins or peptides.  ...  This work was also supported by a grant from the Swedish Research Council (L.K.). Thanks to Manor Askenazi for his suggestion to use the isotope peaks to generate an empirical null in future work.  ... 
doi:10.1021/pr400678m pmid:24024742 pmcid:PMC3824391 fatcat:stjruugz7bhp5hnt24j4rdea3u

On-Beads Digestion in Conjunction with Data-Dependent Mass Spectrometry: A Shortcut to Quantitative and Dynamic Interaction Proteomics

Benedetta Turriziani, Amaya Garcia-Munoz, Ruth Pilkington, Cinzia Raso, Walter Kolch, Alexander von Kriegsheim
2014 Biology  
In this study, we demonstrate that a quantitative interaction proteomic approach, combining immunoprecipitation, in-solution digestion and label-free quantification mass spectrometry, provides data of  ...  approach a suitable method to generate data for system biology approaches.  ...  Although mass spectrometry is inherently non-quantitative, several approaches have been developed which allow relative and absolute quantification of peptides and by extension, of the proteins they have  ... 
doi:10.3390/biology3020320 pmid:24833512 pmcid:PMC4085610 fatcat:wlt536hobne2hoot2kdosds4im

Bioinformatics Methods for Mass Spectrometry-Based Proteomics Data Analysis

Chen Chen, Jie Hou, John J Tanner, Jianlin Cheng
2020 International Journal of Molecular Sciences  
We conclude with a discussion of how quantitative protein data can be used to reconstruct protein interactions and signaling networks.  ...  We first introduce bioinformatics software and tools designed for mass spectrometry-based protein identification and quantification, and then we review the different statistical and machine learning methods  ...  the same level through parametric transformations and maximum likelihood estimation.  ... 
doi:10.3390/ijms21082873 pmid:32326049 pmcid:PMC7216093 fatcat:5zbrkah4xvec3mq3ypal7cxfbu

Novel approaches for the identification of biomarkers of aggressive prostate cancer

Yunee Kim, Thomas Kislinger
2013 Genome Medicine  
Rapid advances in molecular technologies are likely to lead to signifi cant progress in the foreseeable future.  ...  , all of which contribute to the lack of well-defi ned and validated prognostic biomarkers.  ...  YK is a recipient of an Ontario Graduate Scholarship. This work was supported by a grant from the Canadian Institute of Health Research (MOP-93772) to TK.  ... 
doi:10.1186/gm460 pmid:23809668 pmcid:PMC3706951 fatcat:hepyeeftn5hnjo226t7f4jatd4

Combinatorics and next-generation sequencing

Nick Patterson, Stacey Gabriel
2009 Nature Biotechnology  
Quantitative mass spectrometry is now poised to routinely provide such data at large scale and with high accuracy-a testament to the rapid progress in quantitative shotgun proteomics over the last few  ...  Nonetheless, given that these approaches offer protein quantification without the need for genetic modification or extensive isotopic labeling, the combination of approaches presented by Malmström et  ... 
doi:10.1038/nbt0909-826 pmid:19741641 fatcat:iuaenwxfwvcodeat27uf6l2v2m

Quantitative mass spectrometry-based techniques for clinical use: Biomarker identification and quantification☆

Kathryn L. Simpson, Anthony D. Whetton, Caroline Dive
2009 Journal of chromatography. B  
MS-based methods for high throughput protein identification and quantification are now available such that the issues arising from the huge dynamic range of proteins present in plasma may be overcome,  ...  Recent advances in mass spectrometric (MS) techniques, liquid phase analyte separation and bioinformatic tools for high throughput now mean that this goal may soon become a reality.  ...  Variations on the internal standard method have been developed for use in proteomics, including AQUA (absolute quantification of proteins) [87] , PC-IDMS (protein cleavage-isotope dilution mass spectrometry  ... 
doi:10.1016/j.jchromb.2008.11.023 pmid:19058768 pmcid:PMC7185464 fatcat:2fxm6uvv5bhm3djbg55xuxcbwu

Mass Spectrometric Quantification of N-Linked Glycans by Reference to Exogenous Standards

Nickita Mehta, Mindy Porterfield, Weston B. Struwe, Christian Heiss, Parastoo Azadi, Pauline M. Rudd, Michael Tiemeyer, Kazuhiro Aoki
2016 Journal of Proteome Research  
Mass spectrometry, on the other hand, has generally been limited to relative quantification in which the contribution of the signal intensity for an individual glycan is expressed as a percent of the signal  ...  We have investigated whether MS-based glycomics is amenable to absolute quantification by referencing signal intensities to well-characterized oligosaccharide standards.  ...  The authors gratefully acknowledge the assistance in acquiring glycan standards provided by Nahid Razi and by the Steering Committee of the Consortium for Functional Glycomics and by James Paulson of The  ... 
doi:10.1021/acs.jproteome.6b00132 pmid:27432553 pmcid:PMC5501980 fatcat:7jemife47jgpncfhbkyzhn6kle

Targeted proteome investigation via selected reaction monitoring mass spectrometry

Alessio Maiolica, Martin A. Jünger, Iakes Ezkurdia, Ruedi Aebersold
2012 Journal of Proteomics  
Due to the enormous complexity of proteomes which constitute the entirety of protein species expressed by a certain cell or tissue, proteome-wide studies performed in discovery mode are still limited in  ...  This article is part of a Special Section entitled: Understanding genome regulation and genetic diversity by mass spectrometry.  ...  Acknowledgments We would like to thank the whole Aebersold R E F E R E N C E S  ... 
doi:10.1016/j.jprot.2012.04.048 pmid:22579752 fatcat:2sl6xwfhmjhc3ddvmnfynuta4a
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