Numerical and experimental analysis of periodic patterns and sedimentation of lysozyme

Marcello Lappa, Chiara Piccolo, Luigi Carotenuto

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

This paper deals with experimental investigation, mathematical modeling and numerical simulation of the crystallization processes induced by counter diffusion method of a precipitant agent in a lysozyme protein solution. Novel mathematical strategies are introduced to simulate the experiments and in particular to take into account the kinetics of the growth process and the motion of the crystals due to the combined effect of gravitational force and viscous drag if the sedimenting process is allowed (protein chamber free of gel). Comparison between experimental observations and numerical simulations in the presence of convection and sedimentation and without them provides a validation of the model. The crystal formation in gel results modulated in space. If the gel matrix is not present, convective cells arise in the protein chamber due to local inversions in the density distribution associated to nucleation phenomena. As time passes, these vortex cells migrate towards the top of the protein chamber exhibiting a different wave number according to the distance from the gel interface. The sedimentating particles produce a wake due to depletion of protein from the surrounding liquid. The models and the experiments may represent a useful methodology for the determination of the parameters and conditions that may lead to protein crystallization.
LanguageEnglish
Pages469-486
Number of pages18
JournalJournal of Crystal Growth
Volume254
Issue number3-4
DOIs
Publication statusPublished - 31 Jul 2003

Fingerprint

lysozyme
Muramidase
Sedimentation
numerical analysis
Enzymes
proteins
Proteins
Gels
gels
chambers
Crystallization
crystallization
viscous drag
Crystals
Computer simulation
cells
wakes
Particles (particulate matter)
drag
crystals

Keywords

  • convection
  • nucleation
  • sedimentation
  • supersaturated solutions
  • growth from solution
  • Lysozyme
  • mathematical modelling
  • numerical simulation
  • crystallization processes
  • protein crystallization

Cite this

Lappa, Marcello ; Piccolo, Chiara ; Carotenuto, Luigi . / Numerical and experimental analysis of periodic patterns and sedimentation of lysozyme. In: Journal of Crystal Growth. 2003 ; Vol. 254, No. 3-4. pp. 469-486.
@article{60c660fc65364946b94ac30fe8f0b17d,
title = "Numerical and experimental analysis of periodic patterns and sedimentation of lysozyme",
abstract = "This paper deals with experimental investigation, mathematical modeling and numerical simulation of the crystallization processes induced by counter diffusion method of a precipitant agent in a lysozyme protein solution. Novel mathematical strategies are introduced to simulate the experiments and in particular to take into account the kinetics of the growth process and the motion of the crystals due to the combined effect of gravitational force and viscous drag if the sedimenting process is allowed (protein chamber free of gel). Comparison between experimental observations and numerical simulations in the presence of convection and sedimentation and without them provides a validation of the model. The crystal formation in gel results modulated in space. If the gel matrix is not present, convective cells arise in the protein chamber due to local inversions in the density distribution associated to nucleation phenomena. As time passes, these vortex cells migrate towards the top of the protein chamber exhibiting a different wave number according to the distance from the gel interface. The sedimentating particles produce a wake due to depletion of protein from the surrounding liquid. The models and the experiments may represent a useful methodology for the determination of the parameters and conditions that may lead to protein crystallization.",
keywords = "convection, nucleation, sedimentation, supersaturated solutions, growth from solution, Lysozyme, mathematical modelling, numerical simulation, crystallization processes, protein crystallization",
author = "Marcello Lappa and Chiara Piccolo and Luigi Carotenuto",
year = "2003",
month = "7",
day = "31",
doi = "10.1016/S0022-0248(03)01188-6",
language = "English",
volume = "254",
pages = "469--486",
journal = "Journal of Crystal Growth",
issn = "0022-0248",
number = "3-4",

}

Numerical and experimental analysis of periodic patterns and sedimentation of lysozyme. / Lappa, Marcello; Piccolo, Chiara ; Carotenuto, Luigi .

In: Journal of Crystal Growth, Vol. 254, No. 3-4, 31.07.2003, p. 469-486.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Numerical and experimental analysis of periodic patterns and sedimentation of lysozyme

AU - Lappa, Marcello

AU - Piccolo, Chiara

AU - Carotenuto, Luigi

PY - 2003/7/31

Y1 - 2003/7/31

N2 - This paper deals with experimental investigation, mathematical modeling and numerical simulation of the crystallization processes induced by counter diffusion method of a precipitant agent in a lysozyme protein solution. Novel mathematical strategies are introduced to simulate the experiments and in particular to take into account the kinetics of the growth process and the motion of the crystals due to the combined effect of gravitational force and viscous drag if the sedimenting process is allowed (protein chamber free of gel). Comparison between experimental observations and numerical simulations in the presence of convection and sedimentation and without them provides a validation of the model. The crystal formation in gel results modulated in space. If the gel matrix is not present, convective cells arise in the protein chamber due to local inversions in the density distribution associated to nucleation phenomena. As time passes, these vortex cells migrate towards the top of the protein chamber exhibiting a different wave number according to the distance from the gel interface. The sedimentating particles produce a wake due to depletion of protein from the surrounding liquid. The models and the experiments may represent a useful methodology for the determination of the parameters and conditions that may lead to protein crystallization.

AB - This paper deals with experimental investigation, mathematical modeling and numerical simulation of the crystallization processes induced by counter diffusion method of a precipitant agent in a lysozyme protein solution. Novel mathematical strategies are introduced to simulate the experiments and in particular to take into account the kinetics of the growth process and the motion of the crystals due to the combined effect of gravitational force and viscous drag if the sedimenting process is allowed (protein chamber free of gel). Comparison between experimental observations and numerical simulations in the presence of convection and sedimentation and without them provides a validation of the model. The crystal formation in gel results modulated in space. If the gel matrix is not present, convective cells arise in the protein chamber due to local inversions in the density distribution associated to nucleation phenomena. As time passes, these vortex cells migrate towards the top of the protein chamber exhibiting a different wave number according to the distance from the gel interface. The sedimentating particles produce a wake due to depletion of protein from the surrounding liquid. The models and the experiments may represent a useful methodology for the determination of the parameters and conditions that may lead to protein crystallization.

KW - convection

KW - nucleation

KW - sedimentation

KW - supersaturated solutions

KW - growth from solution

KW - Lysozyme

KW - mathematical modelling

KW - numerical simulation

KW - crystallization processes

KW - protein crystallization

U2 - 10.1016/S0022-0248(03)01188-6

DO - 10.1016/S0022-0248(03)01188-6

M3 - Article

VL - 254

SP - 469

EP - 486

JO - Journal of Crystal Growth

T2 - Journal of Crystal Growth

JF - Journal of Crystal Growth

SN - 0022-0248

IS - 3-4

ER -