The solubility of sodium acetate in ternary solvent mixtures of water + methanol (MeOH) + acetonitrile (ACN), water + MeOH + 1-propanol (PrOH), water + PrOH + ACN, and MeOH + PrOH + ACN at 298.2 K is reported and mathematically represented using two numerical analyses (based on measured solubility data in 54 ternary mixtures containing the particular solvents in the mass fraction ranges between...

The solubility of recombinant protein expressed in Escherichia coli often represents the production yield. However, up-to-date, instances of successful production of soluble recombinant proteins in E. coli expression system with high yield remain scarce. This is mainly due to the difficulties in improving the overall production capacity, as most of the well-established strategies usually involv...

The descriptors computed by HyperChem® software were employed to represent the solubility of 40 drug molecules in supercritical carbon dioxide using an artificial neural network with the architecture of 15-4-1. The accuracy of the proposed method was evaluated by computing average of absolute error (AE) of calculated and experimental logarithm of solubilities. The AE (±SD) of data sets was 0.4 ...

Gastrointestinal fluid is a complex milieu and it is recognised that gut drug solubility is different to that observed in simple aqueous buffers. Simulated gastrointestinal media have been developed covering fasted and fed states to facilitate in vitro prediction of gut solubility and product dissolution. However, the combination of bile salts, phospholipids, fatty acids and proteins in an aque...

UNLABELLED The study of pharmacokinetic properties (PK) is of great importance in drug discovery and development. In the present work, PK/DB (a new freely available database for PK) was designed with the aim of creating robust databases for pharmacokinetic studies and in silico absorption, distribution, metabolism and excretion (ADME) prediction. Comprehensive, web-based and easy to access, PK/...

Herein, we report the prediction of Hansen solubility parameters lignin, ILs and DESs using multi-resolution simulation approaches. Solvents with closer parameter values that lignin are said to be better solvents for removal.