HAVLIŠ, Jan and Lenka MONINCOVÁ. Prediction of tryptic peptide retention times by means of soft modelling as a tool for liquid chromatography-mass spectrometry driven proteomics. Trends in Chromatography. Indie: Research Trends (P) Ltd., vol. 3, -, p. 65-72. ISSN 0972-8635. 2007.
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Basic information
Original name Prediction of tryptic peptide retention times by means of soft modelling as a tool for liquid chromatography-mass spectrometry driven proteomics
Name in Czech Předpověď retenčních časů tryptických peptidů pomocí tzv. měkkého modelování jako nástroj pro proteomiku vedenou kapalinovou chromatografií a hmotnostní spektrometrií
Authors HAVLIŠ, Jan (203 Czech Republic, guarantor, belonging to the institution) and Lenka MONINCOVÁ (203 Czech Republic, belonging to the institution).
Edition Trends in Chromatography, Indie, Research Trends (P) Ltd. 2007, 0972-8635.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10406 Analytical chemistry
Country of publisher India
Confidentiality degree is not subject to a state or trade secret
RIV identification code RIV/00216224:14310/07:00026284
Organization unit Faculty of Science
Keywords in English retention time;prediction;proteomics;tryptic peptides;liquid chromatography;mass spectrometry
Tags liquid chromatography, mass spectrometry, Prediction, proteomics, retention time, tryptic peptides
Tags International impact, Reviewed
Changed by Changed by: doc. Mgr. Jan Havliš, Dr., učo 743. Changed: 3/10/2011 10:40.
Abstract
To predict a retention time of analyte is already thoroughly researched topic. The knowledge of retention time value could serve many purposes, in LC-MS driven proteomics to know retention time of peptide may help to deal with acquired mass spectrometric data in order to maximise the information gain by means of number of identified peptides. Among the two principal approaches how to determine the retention time of compound, hard and soft modelling, the soft models have the advantage of being based on black box principle, what means the relations between respective retention time and compound properties in combination with separation system properties can be found without any exact knowledge of physico-chemical relation between them. The proper choice of compound descriptors and relevant settings of separation system may result in precise determination of retention time. As for the proteomics application, once it is possible to make a link between tryptic peptide sequence and its retention time, more justified identifications can be made out of collected data. The review deals with summarisation of contemporary knowledge of soft model based prediction of peptide retention time with a special attention given to artificial neural networks.
Abstract (in Czech)
Předpověď retenčních časů tryptických peptidů může významně sloužit v proteomice podporované LC-MS ke zkvalitnění identifikace proteinů pomocí de novo sekvenování využitím informace o retenčním čase, jež je též závislý na sekvenci. Tento přehledný článek shrnuje současný stav poznatků na tomto poli se zvláštním zřetelem k využití umělých neuronových sítí.
Links
MSM0021622413, plan (intention)Name: Proteiny v metabolismu a při interakci organismů s prostředím
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment
MSM0021622415, plan (intention)Name: Molekulární podstata buněčných a tkáňových regulací
Investor: Ministry of Education, Youth and Sports of the CR, Molecular basis of cell and tissue regulations
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