Modeling the depletion effect caused by an addition of polymer to monoclonal antibody solutions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F18%3A43894213" target="_blank" >RIV/44555601:13440/18:43894213 - isvavai.cz</a>

Výsledek na webu

<a href="http://iopscience.iop.org/article/10.1088/1361-648X/aae914/pdf" target="_blank" >http://iopscience.iop.org/article/10.1088/1361-648X/aae914/pdf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/1361-648X/aae914" target="_blank" >10.1088/1361-648X/aae914</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Modeling the depletion effect caused by an addition of polymer to monoclonal antibody solutions

Popis výsledku v původním jazyce

We present a theoretical study of colloidal stability of the model mixtures of monoclonal antibody molecules and non-adsorbing (no polymer-protein attraction) polymers. The antibodies are pictured as an assembly of seven hard spheres assuming a Y-like shape. Polymers present in the mixture are modeled as chain-like molecules having from 32 up to 128 monomers represented as hard spheres. We use Wertheim&apos;s thermodynamic perturbation theory to construct the two molecular species and to calculate measurable properties. The calculations are performed in the osmotic ensemble. In view that no direct attractive interaction is present in the model Hamiltonian, we only account for the entropic contribution to the phase equilibrium. We calculate chemical potentials and the equation of state for the model mixture to determine the liquid-liquid part of the phase diagram. We investigate how the critical antibody number density depends on the degree of polymerization and the bead size ratio of the polymer and protein components. The model mixture qualitatively correctly predicts some basic features of real systems. The effects of the model &apos;protein&apos; geometry, that is the difference in results for the flexible Y-shaped protein versus the rigid spherical one, are also examined.

Název v anglickém jazyce

Modeling the depletion effect caused by an addition of polymer to monoclonal antibody solutions

Popis výsledku anglicky

We present a theoretical study of colloidal stability of the model mixtures of monoclonal antibody molecules and non-adsorbing (no polymer-protein attraction) polymers. The antibodies are pictured as an assembly of seven hard spheres assuming a Y-like shape. Polymers present in the mixture are modeled as chain-like molecules having from 32 up to 128 monomers represented as hard spheres. We use Wertheim&apos;s thermodynamic perturbation theory to construct the two molecular species and to calculate measurable properties. The calculations are performed in the osmotic ensemble. In view that no direct attractive interaction is present in the model Hamiltonian, we only account for the entropic contribution to the phase equilibrium. We calculate chemical potentials and the equation of state for the model mixture to determine the liquid-liquid part of the phase diagram. We investigate how the critical antibody number density depends on the degree of polymerization and the bead size ratio of the polymer and protein components. The model mixture qualitatively correctly predicts some basic features of real systems. The effects of the model &apos;protein&apos; geometry, that is the difference in results for the flexible Y-shaped protein versus the rigid spherical one, are also examined.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physics-Condensed Matter

ISSN

0953-8984

e-ISSN

—

Svazek periodika

30

Číslo periodika v rámci svazku

48

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

"nestrankovano"

Kód UT WoS článku

000450249200001

EID výsledku v databázi Scopus

2-s2.0-85056518306