Discovering nature's fingerprints: isotope ratio analysis on bioanalytical mass spectrometers

C Neubauer, K Kantnerová, A Lamothe… - Journal of the …, 2023 - ACS Publications
For a generation or more, the mass spectrometry that developed at the frontier of molecular
biology was worlds apart from isotope ratio mass spectrometry, a label-free approach done …

A guide to precise measurements of isotope abundance by ESI-Orbitrap MS

K Kantnerová, N Kuhlbusch, D Juchelka, A Hilkert… - Nature …, 2024 - nature.com
Stable isotopes of carbon, hydrogen, nitrogen, oxygen and sulfur are widespread in nature.
Nevertheless, their relative abundance is not the same everywhere. This is due to kinetic …

Modern Electrospray Ionization Mass Spectrometry Techniques for the Characterization of Supramolecules and Coordination Compounds

N Geue - Analytical Chemistry, 2024 - ACS Publications
Mass spectrometry is routinely used for myriad applications in clinical, industrial, and
research laboratories worldwide. Developments in the areas of ionization sources, high …

[HTML][HTML] Selected ion monitoring for orbitrap-based metabolomics

W Lu, MJ McBride, WD Lee, X Xing, X Xu, X Li… - Metabolites, 2024 - mdpi.com
Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of
hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for …

[HTML][HTML] Special Issue with Research Topics on “Recent Analysis and Applications of Mass Spectra on Biochemistry”

B Ivanova - International Journal of Molecular Sciences, 2024 - mdpi.com
Analytical mass spectrometry applies irreplaceable mass spectrometric (MS) methods to
analytical chemistry and chemical analysis, among other areas of analytical science. There …

A compositional data model to predict the isotope distribution for average peptides using a compositional spline model

A Agten, F Vilenne, P Prostko, D Valkenborg - Proteomics, 2024 - Wiley Online Library
We propose an updated approach for approximating the isotope distribution of average
peptides given their monoisotopic mass. Our methodology involves in‐silico cleavage of the …

Determining enantiomeric excess utilizing ratiometric measurements of a deuterium labeled malonate by 1H NMR spectroscopy

TA Owens, A Chataginer, RJ Wehrle, DS Masterson - Tetrahedron Letters, 2024 - Elsevier
Enantiomeric excess quantification is important in the synthesis of many small molecules.
Esterase enzymes such as porcine liver esterase are known for their ability to generate high …

[PDF][PDF] Selected Ion Monitoring for Orbitrap-Based Metabolomics. Metabolites 2024, 14, 184

W Lu, MJ McBride, WD Lee, X Xing, X Xu, X Li… - 2024 - researchgate.net
Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of
hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for …

Quantitative relations among measurands of molecular isotopologies of halogenated pharmaceutics–stochastic dynamic mass spectrometric approach

B Ivanova - Available at SSRN 4560366, 2023 - papers.ssrn.com
The study serves two goals. Its first aim is to approach mass spectrometric measurands such
as m/z and peak intensity 'I'variables of molecular isotopologies of halogenated …

Stochastic Dynamics Mass Spectrometry of Caffeine Metabolites

B Ivanova - Available at SSRN 4825115, 2024 - papers.ssrn.com
The term structural analysis shall be used to refer to innovative stochastic dynamics mass
spectrometric equations [equation] and [equation] utilised for determining three-dimensional …