Global urinary metabolic profiling procedures using gas chromatography–mass spectrometry

ECY Chan, KK Pasikanti, JK Nicholson - Nature protocols, 2011 - nature.com
The role of urinary metabolic profiling in systems biology research is expanding. This is
because of the use of this technology for clinical diagnostic and mechanistic studies and for …

[HTML][HTML] Modulation of lipid biosynthesis contributes to stress resistance and longevity of C. elegans mutants

RJS Reis, L Xu, H Lee, M Chae, JJ Thaden… - Aging (Albany …, 2011 - ncbi.nlm.nih.gov
Many lifespan-modulating genes are involved in either generation of oxidative substrates
and end-products, or their detoxification and removal. Among such metabolites, only …

Addressing the batch effect issue for LC/MS metabolomics data in data preprocessing

Q Liu, D Walker, K Uppal, Z Liu, C Ma, VL Tran, S Li… - Scientific reports, 2020 - nature.com
With the growth of metabolomics research, more and more studies are conducted on large
numbers of samples. Due to technical limitations of the Liquid Chromatography–Mass …

PyMS: a Python toolkit for processing of gas chromatography-mass spectrometry (GC-MS) data. Application and comparative study of selected tools

S O'Callaghan, DP De Souza, A Isaac, Q Wang… - BMC …, 2012 - Springer
Background Gas chromatography–mass spectrometry (GC-MS) is a technique frequently
used in targeted and non-targeted measurements of metabolites. Most existing software …

MET-COFEA: a liquid chromatography/mass spectrometry data processing platform for metabolite compound feature extraction and annotation

W Zhang, J Chang, Z Lei, D Huhman… - Analytical …, 2014 - ACS Publications
In this paper, we present a novel liquid chromatography/mass spectrometry (LC/MS) data
processing and analysis platform, MET-COFEA (METabolite COmpound Feature Extraction …

A chemometric study of chromatograms of tea extracts by correlation optimization warping in conjunction with PCA, support vector machines and random forest data …

L Zheng, DG Watson, BF Johnston, RL Clark… - Analytica Chimica …, 2009 - Elsevier
A reverse phase high performance liquid chromatography (HPLC) separation was
established for profiling water soluble compounds in extracts from tea. Whole …

MET-XAlign: a metabolite cross-alignment tool for LC/MS-based comparative metabolomics

W Zhang, Z Lei, D Huhman, LW Sumner… - Analytical …, 2015 - ACS Publications
Liquid chromatography/mass spectrometry (LC/MS) metabolite profiling has been widely
used in comparative metabolomics studies; however, LC/MS-based comparative …

Potentiality of PARAFAC approaches for simultaneous determination of N-acetylcysteine and acetaminophen based on the second-order data obtained from …

KZ Farahani, A Benvidi, M Rezaeinasab, S Abbasi… - Talanta, 2019 - Elsevier
Abstract N-acetylcysteine (N-AC) has widespread application such as pharmaceutical drug
and nutritional supplement. Its adverse effects are rash, urticaria, and itchiness and large …

Time alignment algorithms based on selected mass traces for complex LC-MS data

C Christin, HCJ Hoefsloot, AK Smilde… - Journal of proteome …, 2010 - ACS Publications
Time alignment of complex LC-MS data remains a challenge in proteomics and
metabolomics studies. This work describes modifications of the Dynamic Time Warping …

The evolution of metabolic profiling in parasitology

E Holmes - Parasitology, 2010 - cambridge.org
The uses of metabolic profiling technologies such as mass spectrometry and nuclear
magnetic resonance spectroscopy in parasitology have been multi-faceted. Traditional uses …