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| Format: | Artículo científico |
| Language: | en |
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Academia Brasileira de Ciências
2010
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| Online Access: | https://www.redalyc.org/articulo.oa?id=32713480010 |
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| _version_ | 1866811644197208064 |
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| author | Eduardo R.A. Lima |
| author_facet | Eduardo R.A. Lima |
| contents | Ion-specific thermodynamical properties of aqueous proteins Eduardo R.A. Lima Evaristo C. Biscaia Jr. Mathias Boström Frederico W. Tavares Multidisciplinaria (Ciencias Naturales y Exactas) proteins Colloid stability Hofmeister series potential of mean force Ion-specific interactions between two colloidal particles are calculated using a modified Poisson-Boltzmann (PB)equationandMonteCarlo(MC)simulations. PBe quations present good results of ionic concentration profiles around a macroion, especially for salt solutions containing monovalent ions. These equations include not only electrostatic interactions, but also dispersion potentials originated from polarizabilities of ions and proteins. This enables us to predict ion-specific properties of colloidal systems. We compared results obtained from the modified PB equation with those from MC simulations and integral equations. Phase diagrams and osmotic second virial coefficients are also presented for different salt solutions at different pH and ionic strengths, in agreement with the experimental results observed Hofmeister effects. In order to include the water structure and hydration effect, we have used an effective interaction obtained from molecular dynamics of each ion and a hydrophobic surface combined with PB equation. The method has been proved to be efficient and suitable for describing phenomena where the water structure close to the interface plays an essential role. Important thermodynamic properties related to protein aggregation, essential in biotechnology and pharmaceutical industries, can be obtained from the method shown here. 2010 artículo científico 0001-3765 https://www.redalyc.org/articulo.oa?id=32713480010 en http://www.redalyc.org/revista.oa?id=327 Anais da Academia Brasileira de Ciências application/pdf Academia Brasileira de Ciências Anais da Academia Brasileira de Ciências (Brasil) Num.1 Vol.82 |
| format | Artículo científico |
| id | redalyc_32713480010 |
| language | en |
| publishDate | 2010 |
| publisher | Academia Brasileira de Ciências |
| spellingShingle | Ion-specific thermodynamical properties of aqueous proteins Eduardo R.A. Lima Multidisciplinaria (Ciencias Naturales y Exactas) proteins Colloid stability Hofmeister series potential of mean force Ion-specific thermodynamical properties of aqueous proteins Eduardo R.A. Lima Evaristo C. Biscaia Jr. Mathias Boström Frederico W. Tavares Multidisciplinaria (Ciencias Naturales y Exactas) proteins Colloid stability Hofmeister series potential of mean force Ion-specific interactions between two colloidal particles are calculated using a modified Poisson-Boltzmann (PB)equationandMonteCarlo(MC)simulations. PBe quations present good results of ionic concentration profiles around a macroion, especially for salt solutions containing monovalent ions. These equations include not only electrostatic interactions, but also dispersion potentials originated from polarizabilities of ions and proteins. This enables us to predict ion-specific properties of colloidal systems. We compared results obtained from the modified PB equation with those from MC simulations and integral equations. Phase diagrams and osmotic second virial coefficients are also presented for different salt solutions at different pH and ionic strengths, in agreement with the experimental results observed Hofmeister effects. In order to include the water structure and hydration effect, we have used an effective interaction obtained from molecular dynamics of each ion and a hydrophobic surface combined with PB equation. The method has been proved to be efficient and suitable for describing phenomena where the water structure close to the interface plays an essential role. Important thermodynamic properties related to protein aggregation, essential in biotechnology and pharmaceutical industries, can be obtained from the method shown here. 2010 artículo científico 0001-3765 https://www.redalyc.org/articulo.oa?id=32713480010 en http://www.redalyc.org/revista.oa?id=327 Anais da Academia Brasileira de Ciências application/pdf Academia Brasileira de Ciências Anais da Academia Brasileira de Ciências (Brasil) Num.1 Vol.82 |
| title | Ion-specific thermodynamical properties of aqueous proteins |
| topic | Multidisciplinaria (Ciencias Naturales y Exactas) proteins Colloid stability Hofmeister series potential of mean force |
| url | https://www.redalyc.org/articulo.oa?id=32713480010 |