Solvents are crucial in all chemical, biotechnological, pharmaceutical, biomaterials and food industries:
To exploit solvation to the full, we need to understand its molecular mechanism:
Routine experimental data can be surprisingly informative on how molecules work, when assisted by theory:
To make this possible, we work on:
Our present target areas are:
To find out more, our recent reviews would be useful:
- Hydrotropy and scattering: pre-ouzo as extended near-spinodal region
S Shimizu and N Matubayasi, Phys Chem Chem Phys, 2017, 19, 26734-26742
- Unifying hydrotropy under Gibbs phase rule
S Shimizu and N Matubayasi, Phys Chem Chem Phys, 2017, 19, 23597-23605
- The origin of cooperative solubilisation by hydrotropes
S Shimizu and N Matubayasi, Phys Chem Chem Phys, 2016, 18, 25621-25628
- Origin of nonlinearity in phase solubility: Solubilisation by cyclodextrin beyond stoichiometric complexation
T W J Nicol, N Matubayasi and S Shimizu, Phys Chem Chem Phys, 2016, 18, 15205-16217
- Hydrotrope accumulation around the drug: The driving force for solubilization and minimum hydrotrope concentration for nicotinamide and urea
J J Booth, M Omar, S Abbott and S Shimizu, Phys Chem Chem Phys, 2015, 17, 8028-8037
- Subnanoscale hydrophobic modulation of salt bridges in aqueous media
S Chen, Y Itoh, T Masuda, S Shimizu, J Zhao, J Ma, S Nakamura, K Okuro, H Noguchi, K Uosaki and T Aida, Science, 2015, 348, 555-559
- Preferential Solvation: Dividing surface vs excess numbers
S Shimizu and N Matubayasi, J Phys Chem B, 2014, 118, 3922-3930.
- Hydrotropy: Monomer–micelle equilibrium and minimum hydrotrope concentration
S Shimizu and N Matubayasi, J Phys Chem B, 2014, 118, 10515-10524.
- The Mechanism of Hydrophobic Drug Solubilization by Small Molecule Hydrotropes
J J Booth, S Abbott and S Shimizu, J Phys Chem B, 2012, 116, 14915–14921.
- Estimating hydration changes upon biomolecular reactions from osmotic stress, high pressure, and preferential hydration experiments
S Shimizu, Proc Natl Acad Sci USA, 2004, 101, 1195-1199.