Modeling framework for isotopic labeling of heteronuclear moieties

Area of Science:

• Biochemistry
• Analytical Chemistry
• Systems Biology

Background:

• Isotopic labeling is a key technique for tracing isotopes in reaction networks.
• Current methods are limited to homonuclear moieties and single isotopes per element.

Purpose of the Study:

• To generalize the isotopic labeling modeling framework.
• To accommodate heteronuclear moieties and multiple isotopes per element.

Main Methods:

• Reformulation of the existing isotopic labeling modeling framework.
• Development of a generalized approach for complex reaction networks.

Main Results:

• The generalized framework supports arbitrarily large, heteronuclear moieties.
• It accommodates multiple isotopic tracer elements and isotopes per element.
• The model handles arbitrary numbers of additional neutrons for isotope distinction.

Conclusions:

• Enables simulation of isotopic labeling states in any biochemical reaction network.
• Significantly broadens the applicability of isotopic labeling techniques.
• Facilitates advanced metabolic pathway and network analysis.