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  • 1.
    Boström, Mattias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
    Lima, E R A
    Universidade Federal do Rio de Janeiro.
    Biscaia, E C
    Universidade Federal do Rio de Janeiro.
    Tavares, F W
    Universidade Federal do Rio de Janeiro.
    Nostro, P Lo
    Universidade Federal do Rio de Janeiro.
    Parsons, D F
    Australian National University .
    Deniz, V
    Australian National University .
    Ninham, B W
    Australian National University .
    Anion-Specific Partitioning in Two-Phase Finite Volume Systems: Possible Implications for Mechanisms of Ion Pumps.2009In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 113, no 23, p. 8124-8127Article in journal (Refereed)
    Abstract [en]

    In two-phase finite volume systems of electroneutral phospholipids, the electrolyte concentration is different in the two phases. The partitioning is highly anion-specific, a phenomenon not accounted for by classical electrolyte theories. It is explained if ionic dispersion forces that lead to specific ion binding are taken into account. The mechanism provides a contribution to active ion pumps not previously considered.

  • 2.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Deniz, V.
    Research School of Physical Sciences and Engineering Australian National University Canberra.
    Ninham, B.W.
    Research School of Physical Sciences and Engineering Australian National University.
    Ion Specific Surface Forces between Membrane Surfaces2006In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 110, p. 9645-9649Article in journal (Refereed)
  • 3.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Deniz, Vivianne
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Franks, G.V.
    University of Melbourne.
    Ninham, B.W.
    Australian National University, Canberra.
    Extended DLVO theory: Electrostatic and non-electrostatic forces in oxide suspensions2006In: Advances in Colloid and Interface Science, ISSN 0001-8686, E-ISSN 1873-3727, Vol. 123-26Article in journal (Refereed)
  • 4.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Ellingsen, Simen A.
    Norwegian University of Science and Technology, Norway .
    Brevik, Iver
    Norwegian University of Science and Technology, Norway .
    Parsons, Drew F.
    Australian National University, Australia .
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Sign of the Casimir-Polder interaction between atoms and oil-water interfaces: Subtle dependence on dielectric properties2012In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 85, no 6, p. 064501-Article in journal (Refereed)
    Abstract [en]

    We demonstrate that Casimir-Polder energies between noble gas atoms (dissolved in water) and oil-water interfaces are highly surface specific. Both repulsion (e.g., hexane) and attraction (e.g., glycerine and cyclodecane) is found with different oils. For several intermediate oils (e.g., hexadecane, decane, and cyclohexane) both attraction and repulsion can be found in the same system. Near these oil-water interfaces the interaction is repulsive in the nonretarded limit and turns attractive at larger distances as retardation becomes important. These highly surface specific interactions may have a role to play in biological systems where the surface may be more or less accessible to dissolved atoms.

  • 5.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics.
    Kunz, W.
    University of Regensburg.
    Ninham, B.W.
    Australian National University, Canberra.
    Hofmeister effects2005In: Water encyclopedia: Oceanography, Meteorology, Physics and chemistry, Water law and Water history, art and culture / [ed] Janet K. Lehr, Thomas B. Kingery, Hoboken, New Jersey: Wiley , 2005, p. 468-471Chapter in book (Other academic)
    Abstract [en]

    Leading experts in water-related fields have come together to make Water Encyclopedia a one-stop, comprehensive reference about the world s most important natural resource. It covers designated topics in a clear concise and authoritative manner. The treatment is practical in orientation, keeping in mind the needs of the users. Theory is included only where required for an understanding of the topic.

  • 6.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Kunz, W.
    Inst. of Phys. and Theor. Chemistry, University of Regensburg, D-93040 Regensburg, Germany.
    Ninham, B.W.
    Inst. of Phys. and Theor. Chemistry, University of Regensburg, D-93040 Regensburg, Germany, Res. Sch. of Phys. Sci. and Eng., Australian National University, Canberra 0200, Australia.
    Hofmeister effects in surface tension of aqueous electrolyte solution2005In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 21, no 6, p. 2619-2623Article in journal (Refereed)
    Abstract [en]

    The surface tension of electrolyte solutions shows marked specific ion effects. We here show an important role for both ionic solvation energies and ionic dispersion potentials in determining this ion specific surface tension of salt solutions. The ion self-free energy changes when an ion moves from bulk solution into the interfacial region, with its decreasing water density profile. We will show that the solvation energies of different ions correlate very well with the surface tension of salt solutions. Inclusion of this distance-dependent self-free energy contribution brings qualitative agreement with experiments and the right Hofmeister series. This is so not only for surface tension changes but also for measured surface potentials. The inclusion of ionic dispersion interaction potentials further improves the agreement with experiments. We discuss how further progress in the theory of the surface tension of salts can be achieved. © 2005 American Chemical Society.

  • 7.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Kunz, W.
    Institute of Physical and Theoretical Chemistry University of Regensburg.
    Ninham, B.W.
    Research School of Physical Sciences and Engineering Australian National University.
    Hofmeister Effects in Surface Tension of Aqueous Electrolyte Solution2005In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 21, p. 2619-2623Article in journal (Refereed)
  • 8.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
    Lima, E. R. A.
    Universidade Federal do Rio de Janeiro.
    Biscaia Jr., E. C.
    Universidade Federal do Rio de Janeiro.
    Tavares, F. W.
    Universidade Federal do Rio de Janeiro.
    Kunz, W.
    University of Regensburg.
    Ion specific forces between charged self-assembled monolayersexplained by modified DLVO theory2009In: Elsevier IFAC Publications / IFAC Proceedings series, ISSN 1474-6670, Vol. 346, no 1-3, p. 11-15Article in journal (Refereed)
    Abstract [en]

    We recently investigated specific ion effects near a single charged self-assembled monolayer (SAM) in asalt solution by exploiting a modified Poisson–Boltzmann equation that accounts for both water profileand ion-surface potential profiles inferred from molecular dynamics simulations. In the present contributionwe extend this work to consider two charged SAMs interacting across different salt solution. Ourresults demonstrate one important reason why the double layer force between charged colloidal surfacesin electrolytes could be highly ion specific.

  • 9.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Lima, E. R. A.
    Universidade Federal do Rio de Janeiro,.
    Tavares,, F. W.
    Universidade Federal do Rio de Janeiro,.
    Ninham, B. W.
    Australian National University, Canberra.
    The influence of ion binding and ion specific potentials on the double layer pressure between charged bilayers at low salt concentrations2008In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 128, p. 135104-1-135104-4Article in journal (Refereed)
  • 10.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Lima, Eduardo R. A.
    Universidade Federal do Rio de Janeiro.
    Biscaia Jr., Evaristo C.
    Universidade Federal do Rio de Janeiro.
    Tavares, Frederico W.
    Universidade Federal do Rio de Janeiro.
    Kunz, Werner
    University of Regensburg.
    Modifying the Poisson-Boltzmann Approach to Model Specific Ion Effects2010In: Specific Ion Effects / [ed] Werner Kunz, Singapore: World Scientific Publishing Co. Pte. Ltd. , 2010, p. 293-309Chapter in book (Other academic)
    Abstract [en]

    Specific ion effects are important in numerous fields of science and technology. They have been discussed for over 100 years, ever since the pioneering work done by Franz Hofmeister and his group in Prague. Over the last decades, hundreds of examples have been published and periodically explanations have been proposed. However, it is only recently that a profound understanding of the basic effects and their reasons could be achieved. Today, we are not far from a general explanation of specific ion effects. This book summarizes the main new ideas that have come up in the last ten years.

    In this book, the efforts of theoreticians are substantially supported by the experimental results stemming from new and exciting techniques. Both the new theoretical concepts and the experimental landmarks are collected and critically discussed by eminent scientists and well-known specialists in this field. Beyond the rigorous explanations, guidelines are given to non-specialists in order to help them understand the general rules governing specific ion effects in chemistry, biology, physics and engineering.

  • 11.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Lonetti, B.
    University of Florence.
    Fratini, E.
    University of Florence.
    Baglioni, P.
    University of Florence.
    Ninham, B.W.
    Australian National University.
    Why pH titration in protein solutions follows a Hofmeister series2006In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 110, no 14, p. 7563-7566Article in journal (Refereed)
    Abstract [en]

    Measurements of pH in single-phase cytochrome c suspensions are reported. The pH, as determined by a glass electrode, has a fixed value. With the addition of salt, the supposedly fixed pH changes strongly. The pH depends on salt type and concentration and follows a Hofmeister series. A theoretical interpretation is given that provides insights into such Hofmeister effects. These occur generally in protein solutions. While classical electrostatic models provide partial understanding of such trends in protein solutions, they fail to explain the observed ion specificity. Such models neglect electrodynamic fluctuation (dispersion) forces acting between ions and proteins. We use a Poisson-Boltzmann cell model that takes these ionic dispersion potentials between ions and proteins into account. The observed ion specificity can then be accounted for. Proteins act as buffers that display similar salt-dependent pH trends not previously explained.

  • 12.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology.
    Longdell, J.J.
    Mitchell, D.J.
    Ninham, B.W.
    Resonance interation between one excited and one ground state atom2003In: European Physical Journal D: Atomic, Molecular and Optical Physics, ISSN 1434-6060, E-ISSN 1434-6079, Vol. 22, p. 47-52Article in journal (Refereed)
  • 13.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Ninham, B.W.
    Department of Applied Mathematics, Res. Sch. of Phys. Sci./Engineering, Australian National University, Canberra 0200, Australia.
    Atomic resonance interaction in dielectric media2004In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 69, no 5 B, p. 054701-1Article in journal (Refereed)
    Abstract [en]

    The retarded resonance interaction in dielectric media between a ground state atom and an excited atom were investigated. The whole system was represented by a superposition of states:symmetric and antisymmetric with respect to interchange of atoms. While the antisymmetric state can be long lived, the asymmetric state is likely to decay into two ground state atoms. The retarded limit large deviations were demonstrated.

  • 14.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Ninham, B.W.
    Res. Sch. of Phys. Sci./Engineering, Australian National University, Canberra, 0200, Australia, Inst. of Phys./Theoretical Chemistry, University of Regensburg, D-93040 Regensburg, Germany.
    Contributions from dispersion and born self-free energies to the solvation energies of salt solutions2004In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 108, no 33, p. 12593-12595Article in journal (Refereed)
    Abstract [en]

    That the Born theory provides an accurate means of calculating solvation energies of ions in water has been demonstrated by Rashin and Honig (Rashin, A. A., Honig, B. J. Phys. Chem. 1985, 89, 5588). They could fit the experimental solvation energies of a number of salts nicely by a simple increase of 7% in the expected radii of all ions. However, as we demonstrate herein, there is an important previously ignored contribution due to the ionic dispersion self-free energy. The ionic parameters necessary to estimate the different contributions to solvation energy are the ionic radii, the ionic polarizabilities, and the ionization potentials. Whereas the polarizabilities and ionization potentials of a number of salts have recently been derived ab initio (in both vacuum and water), the appropriate choices of radii are less well-known. We pursue two different approaches to assign the ionic radii. In the first approach, we find that an increase of all expected radii by 23% gives reasonable agreement between theory and experiment (to within 6%). In the second approach, we increased the expected radii of six ions separately (10-30%) to obtain a best fit for the nine salts investigated. In this second approach, the deviations between theory and experiment were less than 0.1%. The essential point is that a proper theory must include contributions from both electrostatic (Born) and electrodynamic (dispersion) self-free energies.

  • 15.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Ninham, B.W.
    Res. Sch. of Phys. Sci. and Eng., Australian National University, Canberra, 0200, Australia, Inst. of Phys. and Theor. Chemistry, University of Regensburg, D-93040 Regensburg, Germany.
    Dispersion self-free energies and interaction free energies of finite-sized ions in salt solutions2004In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 20, no 18, p. 7569-7574Article in journal (Refereed)
    Abstract [en]

    The role for many-body dipolar (dispersion) potentials in ion-solvent and ion-solvent-interface interactions is explored. Such many-body potentials, accessible in principle from measured dielectric data, are necessary in accounting for Hofmeister specific ion effects. Dispersion self-energy is the quantum electrodynamic analogue of the Born electrostatic self-energy of an ion. We here describe calculations of dispersion self-free energies of four different anions (OH-, Cl-, Br-, and I-) that take finite ion size into account. Three different examples of self-free energy calculations are presented. These are the self-free energy of transfer of an ion to bulk solution, which influences solubility, the dispersion potential acting between one ion and an air-water interface (important for surface tension calculations), and the dispersion potential acting between two ions (relevant to activity coefficient calculations). To illustrate the importance of dispersion self-free energies, we compare the Born and dispersion contributions to the free energy of ion transfer from water to air (oil). We have also calculated the change in interfacial tension with added salt for air (oil)-water interfaces. A new model is used that includes dispersion potentials acting on the ions near the interface, image potentials, and ions of finite size that are allowed to spill over the solution-air interface. It is shown that interfacial free energies require a knowledge of solvent profiles at the interface.

  • 16.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics.
    Ninham, B.W.
    Australian National University Canberra, and University of Regensburg.
    Dissolved gases2005In: Water encyklopedia: Oceanography, Meterology, Physics and Chemistry, Water law and Water history, art and culture / [ed] Janet K. Lehr, Thomas B. Kingery, Hoboken, New Jersey: Wiley , 2005, p. 450-452Chapter in book (Other academic)
    Abstract [en]

    Leading experts in water-related fields have come together to make Water Encyclopedia a one-stop, comprehensive reference about the world s most important natural resource. It covers designated topics in a clear concise and authoritative manner. The treatment is practical in orientation, keeping in mind the needs of the users. Theory is included only where required for an understanding of the topic.

  • 17.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Ninham, B.W.
    -Research School of Physical Sciences and Engineering Australian National University.
    Energy of an ion crossing a low dielectric membrane: the role of dispersion self-free energy2005In: Biophysical Chemistry, ISSN 0301-4622, E-ISSN 1873-4200, Vol. 114, p. 95-101Article in journal (Refereed)
  • 18.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Ninham, B.W.
    Australian National University, Canberra.
    Why pH titration in lysozyme suspensions follow a Hofmeister series2006In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, E-ISSN 1873-4359, Vol. 291, p. 24-29Article in journal (Refereed)
  • 19.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Persson, Clas
    Royal Institute Technology, Sweden .
    Parsons, Drew F.
    Australian National University, Australia .
    Ellingsen, Simen A.
    Norwegian University of Science and Technology, Norway .
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Atmospheric water droplets can catalyse atom pair break-up via surface-induced resonance repulsion2013In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 101, no 4Article in journal (Refereed)
    Abstract [en]

    We present the theory for a retarded resonance interaction between two identical atoms near a dielectric surface. In free space the resonance interaction between isotropically excited atom pairs is attractive at all atom-atom separations. We illustrate numerically how this interaction between oxygen, sulphur, hydrogen, or nitrogen atom pairs may turn repulsive near water droplets. The results provide evidence of a mechanism causing excited state atom pair breakage to occur in the atmosphere near water droplets.

  • 20.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics.
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics.
    Comment on "Calculation of the Casimir force between imperfectly conducting plates"2000In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 61, no 4Article in journal (Other academic)
    Abstract [en]

    In a recent paper [Phys. Rev. A 59, R3149 (1999)] Lamoreaux reported calculations of the Casimir force. The experimentally found permittivity was used in the calculations. Large deviations were found between numerically evaluated forces and forces derived from a series expanded plasma model. We would like to comment on a few results presented in this work. First, we claim that important features of the imaginary component of the permittivity of copper, presented in Fig. 1(a) are due to the interpolation procedure and are not caused by physical phenomena. These features influence the calculated permittivity for imaginary frequencies, which is the quantity used to calculate the Casimir attraction. Second, we discuss the extrapolation procedure used for low frequencies. The results depend substantially on how this extrapolation is performed.

  • 21.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Entropy of the Casimir effect between real metal plates2004In: Physica A: Statistical Mechanics and its Applications, ISSN 0378-4371, E-ISSN 1873-2119, Vol. 339, no 01-Feb, p. 53-59Article in journal (Refereed)
    Abstract [en]

    We first derive the zero-and-finite-temperature dispersion-forces in terms of changes in the energy of the electromagnetic normal modes of the system. We then use this to evaluate the entropy of the electromagnetic normal modes for the "Casimir system" consisting of two metal plates. We demonstrate that this entropy obeys the Nernst heat theorem. (C) 2004 Elsevier B.V. All rights reserved.

  • 22.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Fractional van der Waals interaction between thin metallic films2000In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 61, no 3, p. 2204-2210Article in journal (Refereed)
    Abstract [en]

    The van der Waals (vdW) interaction between thin metallic films varies with separation as the separation to a fractional power. This is in contrast to the usual integer-power separation dependence between objects such as atoms, dielectric films, or thick metallic films. We have calculated the free energy of attraction between sheets of gold, silver, copper, beryllium, and tungsten numerically using experimentally found dielectric functions. The results are compared with the corresponding analytical results obtained using simple model dielectric functions. We have investigated how thin the metallic films must be in order for the fractional vdW interaction to be present. To our knowledge, fractional vdW interaction has not yet been confirmed experimentally.

  • 23.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Repulsive van der Waals forces due to hydrogen exposure on bilayer graphene2012In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 85, no 1, p. 012508-Article in journal (Refereed)
    Abstract [en]

    We consider the effect of atomic hydrogen exposure to a system of two undoped sheets of graphene grown near a silica surface (the first adsorbed to the surface and the second freestanding near the surface). In the absence of atomic hydrogen, the van der Waals force between the sheets is attractive at all separations, causing the sheets to come closer together. However, with the addition of atomic hydrogen between the sheets, the long-range van der Waals interaction turns repulsive at a critical concentration. The underlying triple layer structure (SiO(2)-atomic hydrogen gas-air) gives rise to a long-range repulsion that at large-enough separations dominates over the more rapidly decaying attraction between the two-dimensional undoped graphene sheets (and between the outer graphene sheet and SiO(2)). This may be an avenue to tune the separation between two graphene sheets with the gas concentration. The doping of the graphene layers increases the attractive part of the interaction and hence reduces the net repulsive interaction.

  • 24.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Retardation-enhanced van der Waals force between thin metal films2000In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 62, no 11, p. 7523-7526Article in journal (Refereed)
    Abstract [en]

    We recently investigated the van der Waals force between thin metal films. Under certain conditions this force decrease with separation to a fractional power. In the present work we use optical data of metals and the zero-temperature Lifshitz formalism to demonstrate a retardation effect. The retarded attraction between thin metal films may be larger than the nonretarded attraction. This property is related to a comparatively weak retardation dependence of the energy that originates from the transverse magnetic modes. At separations where the transverse electric modes give a significant contribution, the net effect can actually be an increased attraction. This effect vanishes with increasing film thickness and with increasing dissipation.

  • 25.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Temperature effects on the Casimir attraction between a pair of quantum wells2000In: Microelectronic Engineering, ISSN 0167-9317, E-ISSN 1873-5568, Vol. 51, p. 287-297Article in journal (Refereed)
    Abstract [en]

    We present calculations of the free energy of attraction between two quantum wells in which the wells are treated as strictly two-dimensional metallic sheets. The van der Waals force exhibits fractional separation dependence in this system. This is in contrast to the usual integer separation dependence. We have performed numerical calculations at different temperatures and with different carrier densities. Except at very low temperatures thermal effects will be a dominating source of attraction. We have determined temperature criteria that must be fulfilled for the fractional separation dependence to be observable. Thermal corrections will be important already at temperatures less than 1 K. We further make some comments on a recent measurement of the Casimir force.

  • 26.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Thermal effects on the Casimir force in the 0.1-5 mu m range2000In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 84, no 20, p. 4757-4760Article in journal (Refereed)
    Abstract [en]

    The vacuum stresses between a metal half-space and a metal sphere were recently measured at room temperature, in the 0.6-6 mu m range, with an estimated accuracy of 5%. In the interpretation it was assumed that the accuracy was not good enough for observing any thermal effects. We claim that thermal effects are important in this separation range and back up this claim with numerical calculations of the Casimir force at zero temperature and at 300 K, based on tabulated optical data of gold, copper, and aluminum. The effects of dissipation and temperature are investigated and we demonstrate the importance of considering these two corrections together.

  • 27.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    van der Waals energy of an atom in the proximity of thin metal films2000In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 61, no 5, p. art. no.-052703Article in journal (Refereed)
    Abstract [en]

    The van der Waals energy of a ground-state atom (or molecule) placed between two metal films is calculated at finite temperature. The attraction between thin metal films and a polarizable object can have half-integer separation dependence. This is in contrast to the usual integer separation dependence, shown for instance in the attraction between an atom and a solid surface. We examine how film thickness, retardation, and temperature influence the interaction. To illustrate the effect of finite thickness of the metal film we calculated the van der Waals energy of ground-state hydrogen and helium atoms, and hydrogen molecules, between thin silver films. We finally, briefly, discuss the possibility to measure this effect.

  • 28.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Baldissera, Gustavo
    Royal Institute of Technology.
    Persson, Clas
    Royal Institute of Technology.
    Ninham, Barry W
    Australian National University.
    Casimir-Lifshitz interaction between ZnO and SiO2 nanorods in bromobenzene turns repulsive at intermediate separations due to retardation effects2012In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 85, no 4, p. 044702-Article in journal (Refereed)
    Abstract [en]

    We consider the interaction between a ZnO nanorod and a SiO2 nanorod in bromobenzene. Using optical data for the interacting objects and ambient we calculate the force (from short-range attractive van der Waals force to intermediate-range repulsive Casimir-Lifshitz force to long-range entropically driven attraction). The nonretarded van der Waals interaction is attractive at all separations. We demonstrate a retardation-driven repulsion at intermediate separations. At short separations (in the nonretarded limit) and at large separations (in the classical limit) the interaction is attractive. These effects can be understood from an analysis of multiple crossings of the dielectric functions of the three media as functions of imaginary frequencies.

  • 29.
    Boström, Mathias
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Brevik, Iver
    Norwegian University of Science and Technology.
    Ninham, Barry W
    Australian National University.
    Retardation turns the van der Waals attraction into a Casimir repulsion as close as 3 nm2012In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 85, no 1, p. 010701-Article in journal (Refereed)
    Abstract [en]

    Casimir forces between surfaces immersed in bromobenzene have recently been measured by Munday et al. [Nature (London) 454, 07610 (2009)]. Attractive Casimir forces were found between gold surfaces. The forces were repulsive between gold and silica surfaces. We show the repulsion is due to retardation effects. The van der Waals interaction is attractive at all separations. The retardation-driven repulsion sets in at around 3 nm. To our knowledge, retardation effects have never been found at such a small distance before. Retardation effects are usually associated with large distances.

  • 30.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Tavares, Frederico W.
    Universidade Federal do Rio de Janeiro.
    Ninham, Barry W.
    Australian National University.
    Prausnitz, John M.
    University of California and Lawrence Berkeley National Lab..
    Effect of Salt Identity on the Phase Diagram for a Globular Protein in Aqueous Electrolyte Solution2006In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 110, p. 24757-24760Article in journal (Refereed)
  • 31.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Tavares, F.W.
    Escola de Química Universidade Federal do Rio de Janeiro.
    Bratko, D.
    Department of Chemistry Virginia Commonwealth University.
    Ninham, B.W.
    Research School of Physical Sciences and Engineering Australien National University.
    Ion specific interactions between pairs of nanometer ized particles in aqueous solutions2006In: Progress in Colloid and Polymer Science, ISSN 0340-255X, E-ISSN 1437-8027, Vol. 133, p. 74-77Article in journal (Refereed)
  • 32.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Tavares, F.W.
    Escola de Química, Universidade Federal do Rio de Janeiro, Brazil.
    Bratko, D.
    Department of Chemistry, Virginia Commonwealth University, Richmond, VA 23284.
    Ninham, B.W.
    Research School of Physical Sciences and Engineering, Australian National University, Canberra 0200, Australia.
    Specific ion effects in solutions of globular proteins: Comparison between analytical models and simulation2005In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 109, no 51, p. 24489-24494Article in journal (Refereed)
    Abstract [en]

    Monte Carlo simulations have been performed for ion distributions outside a single globular macroion and for a pair of macroions, in different salt solutions. The model that we use includes both electrostatic and van der Waals interactions between ions and between ions and macroions. Simulation results are compared with the predictions of the Ornstein-Zernike equation with the hypernetted chain closure approximation and the nonlinear Poisson-Boltzmann equation, both augmented by pertinent van der Waals terms. Ion distributions from analytical approximations are generally very close to the simulation results. This demonstrates that properties that are related to ion distributions in the double layer outside a single interface can to a good approximation be obtained from the Poisson-Boltzmann equation. We also present simulation and integral equation results for the mean force between two globular macroions (with properties corresponding to those of hen-egg-white lysozyme protein at pH 4.3) in different salt solutions. The mean force and potential of mean force between the macroions become more attractive upon increasing the polarizability of the counterions (anions), in qualitative agreement with experiments. We finally show that the deduced second virial coefficients agree quite well with experimental results. © 2005 American Chemical Society.

  • 33.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Tavares, F.W.
    Universidade Federal da Rio de Janeiro, Brazil.
    Finet, S.
    ESRF, BP 220, Grenoble.
    Skouri-Panet, F.
    LMCP, Paris.
    Tardieu, A
    P6-PBSF-IM, Paris.
    Ninham, B.W.
    Australian National University Canberra.
    Why forces between proteins follow different Hofmeister series fo pH above and below pI2005In: Biophysical Chemistry, ISSN 0301-4622, E-ISSN 1873-4200, Vol. 117, p. 217-224Article in journal (Refereed)
  • 34.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Williams, DRM
    Ninham, BW
    Special ion effects: Why the properties of lysozyme in salt solutions follow a Hofmeister series2003In: Biophysical Journal, ISSN 0006-3495, E-ISSN 1542-0086, Vol. 85, no 2, p. 686-694Article in journal (Refereed)
    Abstract [en]

    Protein solubility in aqueous solutions depends in a complicated and not well understood way on pH, salt type, and salt concentration. Why for instance does the use of two different monovalent salts, potassium thiocyanate and potassium chloride, produce such different results? One important and previously neglected source of ion specificity is the ionic dispersion potential that acts between each ion and the protein. This attractive potential is found to be much stronger for SCN- than it is for Cl-. We present model calculations, performed within a modified ion-specific double-layer theory, that demonstrate the large effect of including these ionic dispersion potentials. The results are consistent with experiments performed on hen egg-white lysozymes and on neutral black lipid membranes. The calculated surface pH and net lysozyme charge depend strongly on the choice of anion. We demonstrate that the lysozyme net charge is larger, and the corresponding Debye length shorter, in a thiocyanate salt solution than in a chloride salt solution. Recent experiments have suggested that pK(a) values of histidines depend on salt concentration and on ionic species. We finally demonstrate that once ionic dispersion potentials are included in the theory these results can quantitatively be reinterpreted in terms of a highly specific surface pH (and a salt-independent pK(a)).

  • 35.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Williams, D.R.M.
    Research School of Physical Sciences and Engineering, Australian National University, Canberra 0200, Australia.
    Ninham, B.W.
    Research School of Physical Sciences and Engineering, Australian National University, Canberra 0200, Australia, Departments of Chemistry, Universities of Florence, Italy,.
    Specific ion effects: Role of salt and buffer in protonation of cytochrome c2004In: The European Physical Journal E Soft matter, ISSN 1292-8941, E-ISSN 1292-895X, Vol. 13, no 3, p. 239-245Article in journal (Refereed)
    Abstract [en]

    Changes in background salt and buffer are known to influence the properties of proteins. The reasons have remained obscure. The challenge posed by many such problems is this. Can physical chemistry contribute any predictive quantitative insights to what is in effect the simplest macromolecular solution behavior? Or must all remain specific? Our thesis is that it can. For definiteness we consider here as an illustrative example: surface pH and protonation equilibria of cytochrome c. We demonstrate an important role for ionic dispersion forces, missing from previous theoretical treatments. Unlike charge interactions these are different for each ionic species, and act between a protein and both salt and buffer ions. The charge of proteins depends not only on pH, ionic charge, and salt concentration. Taking ionic dispersion forces into account goes some way towards explaining the dependence on ionic species. We demonstrate why the addition of buffer can have profound effects, including reversal of the salt dependence of the protein charge. © EDP Sciences/ Società Italiana di Fisica/ Springer-Verlag 2004.

  • 36.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Williams, D.R.M.
    Department of Applied Mathematics, Research School of Physical Sciences, Australian National University, Canberra, ACT 0200, Australia.
    Ninham, B.W.
    Department of Applied Mathematics, Research School of Physical Sciences, Australian National University, Canberra, ACT 0200, Australia.
    Specific ion effects: The role of co-ions in biology2003In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 63, no 4, p. 610-615Article in journal (Refereed)
    Abstract [en]

    Co-ions are as essential in biological systems as they are ignored. The purpose of this letter is to demonstrate the importance of including ionic dispersion potentials acting between ions and interfaces in any realistic theoretical modeling of biological systems. We demonstrate through a well-known biological example that co-ion effects can be understood once these previously ignored forces are included. Experiments have in the past revealed that addition of salt solutions with different co-ions give fundamentally different results for the formation of meta 2 rhodopsin (which is involved in dim light vision). For systems with low salt concentrations, addition of salt favors the formation of meta 1 rhodopsin. Exactly the opposite is observed in high-concentration salt solutions. This is true even after surface pH. effects have been screened out with the addition of 0.5 M sodium acetate buffer. A theoretical explanation for the role of co-ions behind this effect is here given in terms of ionic dispersion potentials and ion specific surface pH.

  • 37.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Williams, DRM
    Ninham, BW
    Why the properties of proteins in salt solutions follow a Hofmeister series2004In: Current Opinion in Colloid & Interface Science, ISSN 1359-0294, E-ISSN 1879-0399, Vol. 9, no 01-Feb, p. 48-52Article, review/survey (Refereed)
    Abstract [en]

    The physical properties of hen-egg-white lysozyme, and other globular protein, in aqueous solutions depend in a complicated and unexplained way on pH, salt type and salt concentration. One important and previously neglected source of ion specificity is the ionic dispersion potential that acts between each ion and the protein. We present model calculations, performed within a modified ion-specific double layer theory, that demonstrate the large effect of including these ionic dispersion potentials. (C) 2004 Elsevier Ltd. All rights reserved.

  • 38.
    Boström, Mathias
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Williams, DRM
    Stewart, PR
    Ninham, BW
    Hofmeister effects in membrane biology: The role of ionic dispersion potentials2003In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, ISSN 1063-651X, E-ISSN 1095-3787, Vol. 68, no 4Article in journal (Refereed)
    Abstract [en]

    Membrane biology is notorious for its remarkable, and often strong dependence on the supposedly irrelevant choice of ion pair of background salt solution. While experimentally well known, there has been no progress towards any real theoretical understanding until very recently. We have demonstrated that an important source behind these Hofmeister effects is the ionic excess polarizabilities of ions in solution. Near an interface an ion experiences not only an electrostatic potential, but also a highly specific ionic dispersion potential. At biological concentrations (around 0.1M and higher) when the electrostatic contribution is highly screened this ionic dispersion potential has a dominating influence. We present the result of model calculations for the interfacial tension and surface potential that demonstrates that inclusion of ionic dispersion potentials is an essential step towards predictive theories. Our results are compared with experimental surface and zeta potential measurements on phospholipid bilayers, zirconia, and cationic micelles.

  • 39.
    Deniz, Vivianne
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Bratko, D.
    Virginia Commonwealth University, Richmond USA.
    Tavares, F.W.
    Universidade Federal do Rio de Janeifo, Brazil.
    Ninham, B.W.
    Australian National University, Canberra, Australia.
    Specific ion effects: Interaction between nanoparticles in electrolyte solutions2008In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, E-ISSN 1873-4359, Vol. 319, p. 98-102Article in journal (Refereed)
    Abstract [en]

       

  • 40.
    Fahlgren, Anna
    et al.
    Linköping University, Department of Clinical and Experimental Medicine, Orthopaedics. Linköping University, Faculty of Health Sciences.
    Yang, Xu
    Hospital for Special Surgery, New York, USA.
    Ciani, Cesare
    Hospital for Special Surgery, New York, USA.
    Ryan, James A.
    Hospital for Special Surgery, New York, USA.
    Kelly, Natalie
    Hospital for Special Surgery, New York, USA.
    Ko, Frank C.
    Cornell University, Ithaca, USA.
    van der Meulen, Marjolein C. H.
    Hospital for Special Surgery, New York, USA.
    Boström, Mathias P. G.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    The effects of PTH, loading and surgical insult on cancellous bone at the bone-implant interface in the rabbit2013In: Bone, ISSN 8756-3282, E-ISSN 1873-2763, Vol. 52, no 2, p. 718-724Article in journal (Refereed)
    Abstract [en]

    Enhancing the quantity and quality of cancellous bone with anabolic pharmacologic agents may lead to more successful outcomes of non-cemented joint replacements. Using a novel rabbit model of cancellous bone loading, we examined two specific questions regarding bone formation at the bone-implant interface: (1) does the administration of intermittent PTH, a potent anabolic agent, and mechanical loading individually and combined enhance the pen-implant cancellous bone volume fraction; and, (2) does surgical trauma enhance the anabolic effect of PTH on pen-implant bone volume fraction. In this model, PTH enhanced pen-implant bone volume fraction by 30% in loaded bone, while mechanical loading alone increased bone volume fraction modestly (+10%). Combined mechanical loading and PTH treatment had no synergistic effect on any cancellous parameters. However, a strong combined effect was found in bone volume fraction with combined surgery and PTH treatment (+34%) compared to intact control limbs. Adaptive changes in the cancellous bone tissue included increased ultimate stress and enhanced remodeling activity. The number of proliferative osteoblasts increased as did their expression of pro-collagen 1 and PTH receptor 1, and the number of TRAP positive osteoclasts also increased. In summary, both loading and intermittent PTH treatment enhanced pen-implant bone volume, and surgery and PTH treatment had a strong combined effect This finding is of clinical importance since enhancing early osseointegration in the post-surgical period has numerous potential benefits.

  • 41.
    Horinek, Dominik
    et al.
    Technische Universität München.
    Serr, Andreas
    Technische Universität, München.
    Bonthuis, Douwe Jan
    Technische Universität München.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Kunz, Werner
    Universität Regensburg.
    Netz, Roland r.
    Technische Universität München.
    Molecular Hydrophobic Attraction and Ion-Specific Effects Studied by Molecular Dynamics2008In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 24, p. 1271-1283Article in journal (Refereed)
    Abstract [en]

       

  • 42. Lima, E. R. A.
    et al.
    Biscaia, E. C., Jr.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics.
    Tavares, F. W.
    Ion-specific forces between a colloidal nanoprobe and a charged surface2007In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 23, no 14, p. 7456-7458Article in journal (Refereed)
    Abstract [en]

    We investigate the effect of ion-specific potentials on the force between a nanoprobe attached to a cantilever tip, and a charged surface. The probe is treated as a spherical nanoparticle with constant charge. A modified Poisson-Boltzmann equation in bispherical coordinates is used to address this problem in a more quantitative way. We predict that the ion-specific series of measured forces depend on the sign and magnitude of surface charge densities.

  • 43.
    Lima, E. R. A.
    et al.
    Escola de Quý´mica Universidade Federal do Rio de Janeiro.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Horinek, D.
    Technische Universität München..
    Biscaia, Jr, E. C.
    Universidade Federal do Rio de Janeiro.
    Kunz,, W.
    University of Regensburg..
    F. W. Tavares, F. W.
    Universidade Federal do Rio de Janeiro..
    Co-Ion and Ion Competition Effects: Ion Distributions Close to a Hydrophobic Solid Surface in Mixed Electrolyte Solutions2008In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 24, p. 3944-3948Article in journal (Refereed)
  • 44.
    Lima, Eduardo R A
    et al.
    University Fed Rio de Janeiro.
    Biscaia Jr, Evaristo C
    University Fed Rio de Janeiro.
    Boström, Mathias
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Tavares, Frederico W
    University Fed Rio de Janeiro.
    Ion-specific thermodynamical properties of aqueous proteins2010In: ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS, ISSN 0001-3765, Vol. 82, no 1, p. 109-126Article in journal (Refereed)
    Abstract [en]

    Ion-specific interactions between two colloidal particles are calculated using a modified Poisson-Boltzmann (PB) equation and Monte Carlo (MC) simulations. PB equations 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.

  • 45.
    Lima, Eduardo R. A.
    et al.
    University of Estado Rio de Janeiro.
    Boström, Mathias
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Schwierz, Nadine
    Technical University of Munich.
    Sernelius, Bo
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Tavares, Frederico W.
    University of Federal Rio de Janeiro.
    Attractive double-layer forces between neutral hydrophobic and neutral hydrophilic surfaces2011In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, E-ISSN 1550-2376, Vol. 84, no 6, p. 061903-Article in journal (Refereed)
    Abstract [en]

    The interaction between surface patches of proteins with different surface properties has a vital role to play driving conformational changes in proteins in different salt solutions. We demonstrate the existence of ion-specific attractive double-layer forces between neutral hydrophobic and hydrophilic surfaces in the presence of certain salt solutions. This is performed by solving a generalized Poisson-Boltzmann equation for two unequal surfaces. In the calculations, we utilize parametrized ion-surface potentials and dielectric-constant profiles deduced from recent non-primitive-model molecular dynamics simulations that partially account for molecular structure and hydration effects.

  • 46.
    Lima, Eduardo R.A.
    et al.
    Universidade Federal do Rio de Janeiro, Brazil.
    Biscaia Jr., Evaristo C.
    Universidade Federal do Rio de Janeiro, Brazil.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Tavares, Frederico W.
    Universidade Federal do Rio de Janeiro, Brazil.
    Prausnitz, John M.
    Osmotic Second Virial Coefficients and Phase Diagrams for Aqueous Proteins from a Much-Improved Poisson-Boltzmann Equation - Additions and Corrections: in The Journal of Physical Chemistry C(ISSN 1932-7447), vol 112, pg 87412008Other (Other academic)
  • 47.
    Lima, E.R.A.
    et al.
    Escola de Química, Universidade Federal do Rio de Janeiro, Cidade Universitária, CEP 21949-900, Rio de Janeiro, RJ, Brazil, Programa de Engenharia Química, COPPE, Universidade Federal do Rio de Janeiro, 21945-970, Rio de Janeiro, RJ, Brazil.
    Biscaia, Jr. E.C.
    Biscaia Jr., E.C., Programa de Engenharia Química, COPPE, Universidade Federal do Rio de Janeiro, 21945-970, Rio de Janeiro, RJ, Brazil.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Tavares, F.W.
    Escola de Química, Universidade Federal do Rio de Janeiro, Cidade Universitária, CEP 21949-900, Rio de Janeiro, RJ, Brazil.
    Prausnitz, J.M.
    Department of Chemical Engineering, University of California, Berkeley, CA 94720-1462, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.
    Osmotic second virial coefficients and phase diagrams for aqueous proteins from a much-improved poisson - Boltzmann equation2007In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 111, no 43, p. 16055-16059Article in journal (Refereed)
    Abstract [en]

    A much-improved Poisson - Boltzmann equation for two globular proteins using bispherical coordinates is used to establish the potential of mean force (PMF) between two globular lysozyme particles. Calculations presented here include previously ignored ion-protein nonelectrostatic potentials. The lysozyme - lysozyme PMF is used to calculate osmotic second virial coeffiencients. The theoretical PMF curve as a function of sodium chloride concentration is successfully compared with that from experiment. Our theoretical PMF shows how the second virial coefficient and the phase diagram depends on salt concentration, pH and, most notably, on the choice of salt in the aquous solution. © 2007 American Chemical Society.

  • 48.
    Lima, E.R.A.
    et al.
    Escola de Quimica Universidade Federal do Rio de Janeiro, Brazil.
    Horinek, D.
    Technische Universität München.
    Netz, R.R.
    Technische Universität München.
    Biscaia, E.C.
    Programa de Engenharia Qufmica Federal do Rio de Janeiro, Brazil.
    Tavares, F.W.
    Escola de Quimica Universidade Federal do Rio de Janeiro.
    Kunz, W.
    University of Tegensburg.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Specific Ion Adsorption and Surface Forces in Colloid Science2008In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 112, no 6, p. 1580-1585Article in journal (Refereed)
  • 49. Limal, E.R.A.
    et al.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Sernelius, Bo
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Horinek, D.
    Netz, R.R.
    Biscaia, E.C.
    Kunz, W.
    Tavares, F.W.
    Forces between Air-Bubbles in Electrolyte Solution2008In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 458, p. 299-302Article in journal (Refereed)
  • 50.
    Moreira, L.A.
    et al.
    Universidade Federal do Rio de Janeiro.
    Boström, Mathias
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
    Ninham, B.W.
    Australian National University, Canberra.
    Biscaia, E.C.
    Universidade Federal do Rio de Janeiro.
    Tavares, F.W.
    Universidade Federal do Rio de Janeiro.
    Hofmeister effects: Why protein charge, pH titration and protein precipitation depend on the choice of background salt solution2006In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, E-ISSN 1873-4359, Vol. 282-283, p. 457-463Article in journal (Refereed)
12 1 - 50 of 56
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