In [1] we propose an approach for the exhaustive detection and mass-specific validation of isotope clusters. In this approach we perform an targeted peak picking for the detection of isotopoloue features and we perform a massspecific validation of putative isotope clusters. The approach is implemented in the following workflow using functions from xcms [2] and CAMERA [3]. First, we perform peak...

Mass spectrometry is a key analytical platform for metabolomics. The precise quantification and identification of small molecules is a prerequisite for elucidating the metabolism and the detection, validation, and evaluation of isotope clusters in LC-MS data is important for this task. Here, we present an approach for the improved detection of isotope clusters using chemical prior knowledge and...

Carbon and hydrogen isotope ratios of cellulose nitrate and oxygen isotope ratios of cellulose from species of greenhouse plants having different photosynthetic modes were determined. When hydrogen isotope ratios are plotted against carbon isotope ratios, four clusters of points are discernible, each representing different photosynthetic modes: C(3) plants, C(4) plants, CAM plants, and C(3) pla...

The selectivity and spectral resolution of traditional laser-based trace isotope analysis, i.e., resonance ionization mass spectrometry (RIMS), is limited by power broadening of the radiative transition. We use the fact that power broadening does not occur in coherently driven quantum systems when the probing and excitation processes are temporally separated to demonstrate significant improveme...

Background: This study aimed to evaluate the reaction of organism of laboratory animals on deuterium-depleted drinking diet. To assess the cell energy metabolism, the effect of a liquid medium with different deuterium contents on isolated liver mitochondria of random bred rats and Wistar rats was studied. Methods: This experimental study on the effect of deuterium-depleted drinking water (DDW) ...

BACKGROUND AND OBJECTIVES The determination of the carbon isotope ratio in androgen metabolites has been previously shown to be a reliable, direct method to detect testosterone misuse in the context of antidoping testing. Here, the variability in the 13C/12C ratios in urinary steroids in a widely heterogeneous cohort of professional soccer players residing in different countries (Argentina, Ita...

Breath tests are non-invasive, non-radioactive, safe, simple and effective tests able to determine significant metabolic alterations due to specific diseases or lack of specific enzymes. Carbon isotope (13)C, the stable-non radioactive isotope of carbon, is the most used substrate in breath testing, in which (13)C/(12)C ratio is measured and expressed as a delta value, a differences between rea...

Instrumentation and methods exist for highly precise analyses of the stable-isotopic composition of organic compounds separated by GC. The general approach combines a conventional GC, a chemical reaction interface, and a specialized isotope-ratio mass spectrometer (IRMS). Most existing GC hardware and methods are amenable to isotope-ratio detection. The interface continuously and quantitatively...

Stable isotope coding continues to be a powerful approach in comparative proteomics. This review focuses on recent developments in stable isotope coding-based strategies targeted towards protein expression, protein interactions with other biomolecules, post-translational modifications and absolute quantification. The focus of the bulk of proteomics studies is still on protein expression. An imp...

The performance of a home-built tunable diode laser (TDL) spectrometer, aimed at multi-line detection of carbon dioxide, has been evaluated and optimized. In the regime of the (301)III / (000) band of CO2 around 1.6 mm, the dominating isotope species CO2, CO2, and 12C18O16O were detected simultaneously without interference by water vapor. Detection limits in the range of few ppmv were obtained ...