Correlation and Prediction of Osmotic Pressures for Aqueous Bovine Serum Albumin–NaCl Solutions Based on Two Yukawa Potentials

Principles, approaches, and challenges for predicting protein aggregation rates and shelf life

“…113,114 Therefore, one often must assume a physically reasonable form for Dg ðaÞ 12 ðrÞ and approximate or fit model parameters to best describe the experimental system of interest. 20,111,[115][116][117][118] Fundamentally, K ðUÞ 2 is directly related to k obs (Tab. 1 and Fig.…”

“…(14)-(16), the folded-state quantities therefore serve as rigorously based, albeit surrogate, parameters to inform indirectly on k obs .Figure 2and the calculations described below and in Supporting Information show qualitative and quantitative relationship between osmotic virial coefficients and equilibrium constants for native and non-native dimer formation. For simplicity and illustration purposes, Dg ðaÞ 12 ðrÞ is based on a colloidal interaction model typical of those used to model liquid-phase protein-protein interactions and phase behavior 20,112,[115][116][117][118]. The mathematical details of Dg ðaÞ 12 ðrÞ as used here are available elsewhere[116][117][118] and in Supporting Information.Briefly, DgðaÞ 12 ðrÞ incorporates…”

Study on Osmotic Pressures for Aqueous Lysozyme and α-Chymotrypsin—Electrolyte Solutions with Two Yukawa Potentials

“…They used the McMillan-Mayer osmotic virial equation (3) and Derjaguin-Landau-Verwey-Overbeek (DLVO) theory 1 To whom correspondence should be addressed. Fax: 8610-6277-0304.…”

Colloidal interaction and connectionist modelling of protein osmotic pressure and the effect of physicochemical properties

“…The concept of molecular interactions was employed by various researchers (Wu and Prausnitz [9] ; Lin et al [10] ; Bowen and Jenner [11] ; Bowen and Williams [12] ), to predict the osmotic pressure of BSA. Wu and Prausnitz [9] developed two van der Waals type models and compared the results against experimental osmotic pressure of dilute BSA solutions (<150 g/L) within the ranges of 4.5-7.4 and 1-5 M for pH and sodium chloride concentrations, respectively.…”

“…A more precise potential of mean force was recommended for molecular modelling of osmotic pressure of protein molecules in salt solution. Lin et al [10] proposed an equation of state to predict the BSA osmotic pressure with one adjustable parameter. They expanded the Duh and Mier-Y-Teran equation of state for one Yukawa potential to two Yukawa potentials to represent the repulsive interaction and the attractive interaction between charged BSA molecules.…”