|MsCompare: An Untargeted LC & GC/MS Metabolomics Platform for Quality Control, Precise Deconvolution and Data Analysis|
A GC/MS or LC/MS workflow for Metabolomics applications includes a number of distinct steps: experimental design, sampling, sample preparation, data acquisition, data processing, deconvolution, identification and data interpretation.
The MsXelerator software includes Quality Control procedures and Analysis of Variance (ANOVA) to properly control each step in this workflow and to obtain reliable results for both quantitation and identification.
|Searching for Urinary Biomarkers of Exposure to Heterocyclic Amines (HCAs)|
Rosa Busquets, Henrik L. Frandsen, Kerstin Skog
Heterocyclic amines (HCAs) are foodborne carcinogens present in cooked meat and fish, mainly. Metabolites of HCAs have been determined in urine from volunteers following a controlled meal.
|Metabolic Stability Assay Using Human Hepatocyte Co-cultures and Integrated Qualitative/Quantitative High Resolution Mass Spectrometry|
Alex Zang, Ragu Ramanathan, Cornelia Smith, Caroline Lee, Helen Shen, and Zamas Lam
Purpose: To investigate Sequential Window Acquisition of all Theoretical fragment ion spectra (SWATH™) based integrated qualitative and quantitative (qual/quant) assay for simultaneous metabolic stability and metabolite profiling assessments.
|In Vitro Species Comparison Using Long-Term Hepatocyte Co-Cultures Model and Highly Sensitive UHPLC-QTOF-MS with SWATH Analysis|
Jian Yu; Ragu Ramanathan; Cornelia Smith; Caroline Lee; Helen Shen; Zamas Lam
Purpose: To develop a reliable, quicker, and cost-saving in vitro method to accurately predict major human metabolite profile in vivo and to de-risk disproportional or unique human metabolites before a drug candidate nomination
|Metabolite Profiling Using Human Hepatocyte Co-cultures and UHPLC-QTOF-MS with Data Independent MS/MS|
Ronghua Wang, Ragu Ramanathan, Cornelia Smith, Caroline Lee, Helen Shen, and Zamas Lam
To investigate a high throughput workflow for metabolite profiling using a novel human in vitro system and advanced UHPLC-MS/MS techniques to accurately predict human metabolite profile in vivo.
|Mixtures Analysis of Complex Mixtures|
Michael Bernstein; Carlos Cobas; Santi Domínguez; Manuel Pérez; Agustín Barba
We describe an NMR method to quantify mixture components in wine, edible oils, etc. The method is fully customizable, and amenable to high throughput operation.
|A Complete Wine Analysis Using Multiplets Detection|
Dr Michael Bernstein1; Agustín Barba1; Dr Susanne Klein2; Dr Andrea Dreiseitel2; Daniel Heidger2 and Volker Heidger2
NMR mixtures analysis can be used to determine the concentration of key components in wine. Here we show the analysis using SMA from Mestrelab.
|DPPH scavenging activities of selected flavonoids and their mixtures|
The aim is to identify the ati-oxidant activity of selected flavonoids (quercetin, luteolin and galangin) and their mixtures using DPPH method including their synergistic or antagonistic interactions.
|Correlation between plasma levels of lutein and oxidized low density lipoproteins: a short human intervention study|
Tiziana Bacchetti, Gianna Ferretti
The increase of plasma carotenoids, in particular lutein, after dietary treatment for two weeks is associated with a significant protective effect against lipid peroxidation of plasma lipoproteins.