Understanding the nature of hydrophobicity has fundamental importance in environmental applications. Using spherical silica nanoparticles (diameter = 369 ± 7 nm) as the model material, the current study investigates the relationship between the alkyl chain network and hydro-phobicity. Two alkyl silanes with different chain length (triethoxymethylsilane (C1) vs. trimethoxy(octyl)silane (C8)) were utilised separately for the functionalisation of the nanoparticles. Water contact angle and inverse gas chromatography results show that the alkyl chain length is essential for controlling hydrophobicity, as the octyl-functionalised nanoparticles were highly hydrophobic (water contact angle = 150.6° ± 6.6°), whereas the methyl-functionalised nanoparticles were hydrophilic (i.e., water contact angle = 0°, similar to the pristine nanoparticles). The homogeneity of the octyl-chain network also has a significant effect on hydrophobicity, as the water contact angle was reduced significantly from 148.4° ± 3.5° to 30.5° ± 1.0° with a methyl-/octyl-silane mixture (ratio = 160:40 µL·g−1 nanoparticles).

In this study, silica nanoparticle was synthesised and used to promote lysozyme crystallisation effectively against high concentrations of protein impurity (bovine serum albumin (BSA); concentration = 25.0 -50.0 mg/mL vs 5.0 -25.0 mg/mL for lysozyme) at 1 mL scale, demonstrating that crystallisation is a viable and scalable protein purification technology with the aid of heterogeneous nucleants. The silica nanoparticle expedited the crystallisation of lysozyme through the enhancement of nucleation, significantly improving the process productivity. Furthermore, this study demonstrates the proper use of nanoparticle in terms of cycle time, as the improvement of productivity by silica nanoparticle has a monomodal peak shape over time.

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The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.