Simultaneous high throughput assessment of thermodynamic and kinetic behaviour of chemical reactions: theory and experiment
Literature Information
Gary C. Davies, Roger S. Hutton, Nicolas Millot, Simon J. F. Macdonald, Mike S. Anson, Ian B. Campbell
There is an increasing requirement in the pharmaceutical industry to rapidly monitor reactions. High throughput screening (HTS) is typically achieved by performing experiments simultaneously in array format in microtitre plates. One method of monitoring reactions that has received particular attention recently is the use of thermal measurements. The change in temperature with time resulting from a reaction depends on both thermodynamics and kinetics. Temperature can be monitored in a number of ways, one of which suitable for HTS is thermographic imaging. Relating such thermal information to reaction parameters such as enthalpy and rate is complicated by issues such as heat loss to the surroundings and heat transfer to different parts of the apparatus. A method is presented whereby information obtained from thermal imaging of microtitre plates can be used, along with experimental data for heat transfer to the surroundings and the microtitre plate, to rank reaction enthalpy and time to completion of a set of reactions. Finally a comparison to enthalpies obtained by microcalorimetry is made.
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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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