scholarly journals Natural isotope correction improves analysis of protein modification dynamics

2021 ◽  
Author(s):  
Jörn Dietze ◽  
Alienke van Pijkeren ◽  
Anna-Sophia Egger ◽  
Mathias Ziegler ◽  
Marcel Kwiatkowski ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Protein Modification ◽  
High Resolution Mass Spectrometry ◽  
Accurate Determination ◽  
Mass Spectrometry Data ◽  
Stable Isotope Labelling ◽  
Isotope Labelling ◽  
Naturally Occurring ◽  
Correct Estimation

AbstractStable isotope labelling in combination with high-resolution mass spectrometry approaches are increasingly used to analyze both metabolite and protein modification dynamics. To enable correct estimation of the resulting dynamics, it is critical to correct the measured values for naturally occurring stable isotopes, a process commonly called isotopologue correction or deconvolution. While the importance of isotopologue correction is well recognized in metabolomics, it has received far less attention in proteomics approaches. Although several tools exist that enable isotopologue correction of mass spectrometry data, the majority is tailored for the analysis of low molecular weight metabolites. We here present PICor which has been developed for isotopologue correction of complex isotope labelling experiments in proteomics or metabolomics and demonstrate the importance of appropriate correction for accurate determination of protein modifications dynamics, using histone acetylation as an example.

scholarly journals Natural isotope correction improves analysis of protein modification dynamics

2020 ◽  
Author(s):  
Jörn Dietze ◽  
Alienke van Pijkeren ◽  
Mathias Ziegler ◽  
Marcel Kwiatkowski ◽  
Ines Heiland
Keyword(s):  
Mass Spectrometry ◽  
Protein Modification ◽  
High Resolution Mass Spectrometry ◽  
Mass Spectrometry Data ◽  
Stable Isotope Labelling ◽  
Isotope Labelling ◽  
Naturally Occurring ◽  
Natural Isotope ◽  
Experimental Approaches ◽  
Correct Estimation

AbstractStable isotope labelling in combination with high resolution mass spectrometry approaches are increasingly used to analyse both metabolite and protein modification dynamics. To enable correct estimation of the resulting dynamics it is critical to correct the measured values for naturally occurring stable isotopes, a process commonly called isotopologue correction or deconvolution. While the importance of isotopologue correction is well recognized in metabolomics, it has received far less attention in proteomics approaches. Although several tools exist that enable isotopologue correction of mass spectrometry data, none of them is universally applicable for all potential experimental approaches. We here present PICor which has been streamlined for multiple isotope labelling isotopologue correction in proteomics or metabolomics approaches. We demonstrate the importance for accurate measurement of the dynamics of protein modifications, such as histone acetylation.

Stable isotope labelling and FPLC–ICP-SFMS for the accurate determination of clinical iron status parameters in human serum

The Analyst ◽  
2008 ◽  
Vol 133 (3) ◽  
pp. 379 ◽  
Author(s):  
M. Estela del Castillo Busto ◽  
Maria Montes-Bayón ◽  
Jörg Bettmer ◽  
Alfredo Sanz-Medel
Keyword(s):  
Stable Isotope ◽  
Human Serum ◽  
Iron Status ◽  
Accurate Determination ◽  
Stable Isotope Labelling ◽  
Isotope Labelling

Determination of quaternary ammonium compounds in food products by the method of ultra-performance liquid chromatography/high resolution mass-spectrometry

2020 ◽  
Vol 86 (8) ◽  
pp. 23-31
Author(s):  
V. G. Amelin ◽  
D. S. Bolshakov
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Quaternary Ammonium ◽  
High Resolution Mass Spectrometry ◽  
Food Products ◽  
Quaternary Ammonium Compounds ◽  
High Resolution Mass ◽  
Ammonium Compounds ◽  
Resolution Mass

The goal of the study is developing a methodology for determination of the residual amounts of quaternary ammonium compounds (QAC) in food products by UHPLC/high-resolution mass spectrometry after water-acetonitrile extraction of the determined components from the analyzed samples. The identification and determination of QAC was carried out on an «UltiMate 3000» ultra-high-performance liquid chromatograph (Thermo Scientific, USA) equipped with a «maXis 4G» high-resolution quadrupole-time-of-flight mass spectrometric detector and an ion spray «ionBooster» source (Bruker Daltonics, Germany). Samples of milk, cheese (upper cortical layer), dumplings, pork, chicken skin and ground beef were used as working samples. Optimal conditions are specified for chromatographic separation of the mixture of five QAC, two of them being a mixture of homologues with a linear structure (including isomeric forms). The identification of QAC is carried out by the retention time, exact mass of the ions, and coincidence of the mSigma isotopic distribution. The limits for QAC detection are 0.1 – 0.5 ng/ml, the determination limits are 1 ng/ml for aqueous standard solutions. The determinable content of QAC in food products ranges within 1 – 100 ng/g. The results of analysis revealed the residual amount of QAC present in all samples, which confirms data of numerous sources of information about active use of QAC-based disinfectants in the meat and dairy industry. The correctness of the obtained results is verified by introduction of the additives in food products at a level of 10 ng/g for each QAC. The relative standard deviation of the analysis results does not exceed 0.18. The duration of the analysis is 30 – 40 min.

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