Study on Osmotic Pressures for Aqueous Lysozyme and α-Chymotrypsin—Electrolyte Solutions with 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…”

“…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…”

Lattice Boltzmann method for colloidal dispersions with phase change

“…A first set of results has been obtained by simulating dead-end filtration of a solution containing a protein (lysozyme) for which the physico-chemical properties are available, in particular its equation of state (Lin et al, 2002). The ionic strength of the carrier solution was chosen so that the contrast in concentration between the two phases in equilibrium is not too great: 10% and 18%.…”

High-temperature expansion of the mean spherical approximation for hard-core two-Yukawa simple and chain fluids

“…This method, called the high-temperature expansion of the MSA (MSA-HTE), was first carried out up to fifth order [6], thus providing an analytical equation of state (EOS) for the HCY fluid without any approximation except the MSA itself expressed as a perturbative expansion. Later on Duh and Mier-y-Terán used this MSA-HTE to obtain a resumed equation by approximating the higher order terms, in order to obtain an analytical (EOS) in closed form (Duh and Mier-y-Terán, DMT EOS) [7,8], which was used to correlate PVT data for a large number of molecules [9] and to study the properties of colloidal suspensions [10] and protein solutions [11,12]. The MSA-HTE higher order terms of A and Z were also resumed using a Padé approximant technique [13].…”