Microscopic ionization mechanism of inositol tetrakisphosphates
Literature Information
Michal Borkovec, Bernard Spiess
Based on 31P-NMR titration data, microscopic ionization equilibria of several myo-inositol tetrakisphosphates have been fully resolved. The problem is solved based on a cluster expansion technique of the free energy of the microstate, which leads to a straightforward parameterization and drastically reduces the number of necessary parameters needed to specify the microscopic equilibria. From the NMR titration data, we obtain all microscopic ionization constants as well as the probabilities of the different microstates. This information permits discussing ionization mechanism of these molecules in full detail.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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