Mass spectrometry and data processing methods
Development of data processing methods for high resolution mass spectrometry-based metabolomics with an application to human liver transplantation
... similar methods being transferable to address challenges such as finding new ways of treating and/or preventing diseases brought on by malnutrition, over eating or an unbalanced diet (Wishart ...
191
Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data
... of mass spectrometry instruments commonly applied to clinical and biological problems today, namely, Matrix-Assisted Laser Desorption and Ionization Time-Of-Flight (MALDI-TOF) and Surface-Enhanced Laser ...
47
Computational methods for the analysis of mass spectrometry imaging data
... vi von MSI-Daten vorrangig mithilfe von Visualisierung der Massespeziesverteilung anhand der Ionenintensit¨ atskarten oder mittels Methoden zum Data-Mining durchgef¨ uhrt. Den- noch sind diese herk¨ ommlichen ...
126
Statistical Methods for the Analysis of Mass Spectrometry-based Proteomics Data
... functioning. Mass spectrometry proteomics has become the tool of choice for identifying and quantifying the proteome of an ...time, mass, peak area (intensity) and etc, (iii) Quantifying the ...
106
Comprehensive Methods of MALDI-TOF Mass Spectrometry Data Analysis
... Input data-set for classification usually contain several hundreds or even thousands of ...smallest data sub-set chosen with defined criteria among the hole data ...biological data, like ...
9
Information processing for mass spectrometry imaging
... full data, the same dataset after rebinning at ∆m/z = ...compressed data (using k=150) and the subsequent segmentation maps are shown in Figure ...between data represen- tations as required) and the ...
191
A wavelet-based data pre-processing analysis approach in mass spectrometry
... Recently, mass spectrometry analysis has a become an effective and rapid approach in detecting early-stage ...machine-learning methods, such as feature selection and classification, have already been ...
8
Amphitrite: a program for processing travelling wave ion mobility mass spectrometry data
... the processing of TWIMS-MS ...MS data and automatically extracts ATDs from the raw data ...entire data sets ...the data processing, making the entire process more objective and ...
10
Towards an automatic processing of proteomics data: from mass spectrometry to biological knowledge
... Aunque PRIDEViewer es una valiosa ayuda a la hora de visualizar la información relativa al experimento que se ha reportado, no existe una forma sencilla y automática para validar los da[r] ...
124
Characterization of Cell Glycocalyx with Mass Spectrometry Methods.
... Different mass spectrometry-based techniques have been developed for glycan analysis, ranging from highly specific, targeted approaches to more comprehensive profiling ...with mass ...
27
Ion activation methods for tandem mass spectrometry
... linkages using other methods. 91 In addition, even non- covalent interactions are stable under ECD conditions, 96 allowing specific sites of interactions to be studied in addition to gas-phase secondary and ...
22
Ionization Methods in Organic Mass Spectrometry Contents:
... these methods, the sample is deposited on a target that is bombarded with atoms, neutrals, or ...organic mass spectrometry is to dissolve the analyte in a liquid matrix with low volatility and to use ...
19
Algorithmic Methods for Synthesis Planning and Mass Spectrometry
... The methods differ mainly in the way the fragmen- tation graphs are ...constructed. Mass Frontier and MOLGEN-MSF rely on a large, hand-curated set of experimentally observed fragmentation ...the mass ...
126
Classification-based comparison of pre-processing methods for interpretation of mass spectrometry generated clinical datasets
... of mass spectrometry generated ...pre- processing has been shown to have a negative effect on the reproducibility of biomarker identification and the extrac- tion of clinically useful information ...
17
Data mining in proteomic mass spectrometry
... the mass spec- trum, estimating the average or minimum intensity within the window, and then moving the window across the spectrum to estimate the overall ...
20
MSSimulator: Simulation of Mass Spectrometry Data
... E data, for example, ETISEQ. 21 By providing simulated data, we hope to facilitate algorithm development, as the simulator provides an easy means to benchmark the ...E data is generated by ...
8
Denoising Tandem Mass Spectrometry Data
... Protein Data Bank (PDB), there are records of about 80,000 entries that is made up of proteins with their biological macromolecular structures identified ...
69
Model-based Pre-processing in Protein Mass Spectrometry
... that mass spectra can be appropriately modeled with parametric mixture ...all mass spectra, regardless of ionization method, mass analyzer choice, ...from mass spectra, it may not be necessary ...
119
Data Processing Pipeline for Lipid Profiling of Carotid Atherosclerotic Plaque with Mass Spectrometry Imaging
... MALDI-MSI data of DAG molecules were different for thrombus compared to other segments, whereas their presumed TAG precursor mole- cules did not show this trend, indicating that we might be observ- ing original ...
11
A new processing scheme for ultra-high resolution direct infusion mass spectrometry data
... [47] FT-ICR 1 100 1 200 0 10 0 50 0 1 - - - - - - 0 1 0 1.2 0 2.2 0.5 - - - Kind and Fiehn 2007 [1] 2 FT-ICR Allowable atom count varies based on mass range and reference library 0 1.2 0.2 3.1 1.3 0.8 0.3 - Koch ...
22