Determination of the aggregation properties of weakly self-associating systems by NMR techniques: the self-association of propranolol hydrochloride in aqueous electrolyte solution
文献情報
Juan M. Ruso, Pablo Taboada, David Attwood, Víctor Mosquera, Félix Sarmiento
An analytical method for the determination of critical aggregation concentrations (cac) from the concentration dependence of chemical shifts from 1H nuclear magnetic resonance data for weakly self-associating systems is proposed. Application to solutions of the amphiphilic drug propranolol hydrochloride in the presence of added electrolyte (0.00, 0.05, 0.10, 0.20, 0.30 and 0.50 mol kg−1 NaCl) at 293.15 K has yielded cac values which are independent of the proton selected for analysis and in reasonable agreement with values derived from other experimental techniques. Aggregation numbers calculated by the application of mass action theory to the chemical shift data, and the standard Gibbs energy of aggregation calculated from the cac data, are in agreement with previously reported values.
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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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