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  • 1
    Electronic Resource
    Electronic Resource
    Multilayer adsorption model for the protein–ligand interaction (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 7682-7687 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In the present work we present a theoretical formalism based on the combination of the Brunauer–Emmet–Teller multilayer adsorption model with an electrolytic adsorbate, and the results are used to predict binding isotherms of several synthetic penicillin drugs onto human serum albumin. The occurrence of adsorption maxima in these binding processes is correctly predicted by this noncooperative binding model and it is demonstrated to be due to the ionic character of the adsorbate. The effect of the hydrophobic interactions between adsorbate monomers on the value of the maximum number of adsorbed particles is also a matter of study, and it is proven that this number increases with increasing hydrophobic character of the adsorbate. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1362291
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  • 2
    Electronic Resource
    Electronic Resource
    Thermodynamics of electrolyte solutions in the modified mean spherical approximation (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 292-296 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The exact Ornstein–Zernike formalism for ionic fluids is seen to be equivalent to the dressed-ion theory (DIT), therefore proving the exact character of this mean-field formalism. The modified mean spherical approximation (MMSA) [Varela et al., J. Chem. Phys. 109, 1930 (1998)] is a modified version of the mean spherical approximation, which corrects some of the deficiencies of the original version of this closure relation in the prediction of the effective screening length. The MMSA effective non-Debye decay length, developed in the framework of the dressed-ion transport theory (DIT) of Kjellander and Mitchell, is an improvement on those of other theoretical and numerical schemes, which include self-consistent second moment approaches, asymptotic expansions, and nonlinear Debye–Hückel approximations. The MMSA screening length is used to analyze thermodynamic magnitudes of the charged fluid such as the internal energy and the osmotic coefficient and the results are seen to fit accurately to hypernetted chain calculations. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481794
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  • 3
    Electronic Resource
    Electronic Resource
    Relaxation of the ionic cloud on the basis of a dressed-ion theory (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 4483-4492 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dynamic response of a bulk electrolyte or colloid solution to an external field is investigated on the basis of a dressed-ion theory (DIT) in a hydrodynamic point of view. The radial part of the perturbed electric field acting on a given ion is explicitly calculated in terms of the DIT quantities derived from the linear response function calculated from the modified mean-spherical aproximation (MMSA) and its static and frequency-dependent limits are analyzed. In the static case, the asymptotic behavior is analyzed and Onsager's result is reformulated in terms of the effective charges and effective screening length and in the limit of vanishing concentration Debye–Falkenhagen–Onsager results are recovered. In the frequency-dependent DIT transport theory a relation between the field frequency and the time of relaxation of the ionic atmosphere is shown to be needed in order to get real renormalized charges and screening lengths. A decay of the perturbed electrostatic field as the inverse square root of the field frequency is obtained at high frequency and vanishing concentration along with a model-independent phase factor between the external and internal fields. The radial dependence of the perturbed average potential in the neighborhood of a quasiparticle is also calculated in the static case and several behaviors ranging from classical Derjaguin–Landau–Verwey–Overbeek colloidal stability theory interaction to pure attraction and repulsion are obtained. The results are analyzed in terms of a splitting of the ionic cloud into three different parts each one contributing to the radial dependence of the perturbed potential. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478354
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  • 4
    Electronic Resource
    Electronic Resource
    Static structure of electrolyte systems and the linear response function on the basis of a dressed-ion theory (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 1930-1938 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The static structure of a bulk electrolyte solution or colloid system is investigated in the framework of a dressed-ion theory (DIT). The number–number, charge–number, and charge–charge static structure factors are calculated and are seen to depend only on the linear response function of the DIT α(circumflex)(k), the α function therefore determining the charge structure of the fluid in what is an expression of the fluctuation–dissipation theorem. The expression of the static structure factors for one-component charged spheres (OCCS) is evaluated in the random-phase approximation and in a modified version of the mean-spherical approximation (MSA), using the hard-sphere fluid as a reference system, and an explicit expression for the linear response function and dielectric function is obtained. The effective screening length (κ−1) and the transition from monotonic exponential to oscillatory behavior obtained from the modified MSA expression of the α function are seen to improve the ones derived from the second moment condition at intermediate concentrations. The internal charge density distribution of a dressed ion and the renormalized ion charges (q*) are also investigated. The oscillatory behavior of the charge distributions suggests an "onionlike model," with the central ion surrounded by spherical charge shells. The effective charges calculated from the modified MSA are seen to diverge in the neighborhood of the transition from the monotonic exponential regime to the oscillatory regime. In the limit of vanishing concentration, Debye–Hückel (DH) results are recovered.© 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476770
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  • 5
    Electronic Resource
    Electronic Resource
    Conductance of symmetric electrolyte solutions: Formulation of the dressed-ion transport theory (DITT) (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 10986-10997 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The concentration dependence of the electrical conductance of several symmetrical electrolytes is studied using the dressed-ion transport theory (DITT) formalism. This theoretical scheme is constructed from the Fuoss–Onsager theory using the equilibrium dressed-ion theory (DIT) distribution functions for electrolyte and colloid media. The conductance equation is constructed from previous results for the relaxation of the ionic atmosphere [Varela et al., J. Chem. Phys. 110, 4483 (1999)], now completed with the calculation of the concentration-dependent electrophoretic velocity of ions on the basis of a DIT in a hydrodynamic point of view. Onsager's limiting law for the electrophoretic velocity based on the Debye–Hückel (DH) equilibrium distribution function is reformulated in terms of the DIT renormalized quantities, effective charges and effective screening length. The electrophoretic correction to the velocity calculated in the framework of this DITT is shown to exhibit a nontrivial dependence on the renormalized dielectric constant of the medium (ε*). The concentration dependence of both the deviations of the renormalized dielectric constant from the classical limit and the electrophoretic correction to the mobility is analyzed using the modified-mean spherical approximation (MMSA) value of the DIT linear response function α(circumflex)(k). The behavior of ε* and therefore of the electrophoretic correction to the ionic (or colloidal) mobilities is studied for both the random-phase approximation (RPA) and the MMSA and they are related to ionic association through the dimensionless coupling parameter, ζ, made up from the ratio between the Bjerrum length and the mean ionic radius. The expression for the conductance of the electrolyte solutions obtained in this new theoretical approach is cast in the form of a generalized Onsager's limiting law with a concentration-dependent slope which is predicted in terms of the formation of DIT renormalized quasiparticles in the solution. Conductance predictions of several theoretical expressions for the renormalized magnitudes of electrolyte solutions are compared to direct experimental data of KCl, and are in very good agreement with the theoretical predictions of the mean-field DITT, which confirms the convenience of understanding transport processes in terms of effective dynamical entities with renormalized ionic charges interacting by means of a renormalized screened potential. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480462
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  • 6
    Electronic Resource
    Electronic Resource
    The crystal structure of N-acetyl-N'-phenylselenourea (1969)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 25 (1969), S. 532-540 
    Details
    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567740869002500
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  • 7
    Electronic Resource
    Electronic Resource
    The temperature dependence of the micellisation of chlorpromazine hydrochloride in aqueous solution (2000)
    Springer
    Colloid & polymer science 278 (2000), S. 706-709 
    Details
    ISSN: 1435-1536
    Keywords: Key words Thermodynamics of micellisation ; Critical micelle concentrations ; Drugs ; Chlorpromazine hydrochloride ; Micelles
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract The association characteristics of the weakly associating drug chlorpromazine hydrochloride have been examined over the temperature range 10–35 °C by means of conductimetric measurements. Critical micelle concentrations (cmc) have been determined by the application of a recently developed numerical method [Pérez-Rodríguez et al. (1998) Langmuir 14:4422] especially designed for the analysis of the association pattern in highly polydisperse systems of low aggregation number. The cmcs determined in this manner are used in combination with the mass-action model to obtain the thermodynamic parameters of the micellisation process, in particular the surface and hydrophobic contributions to the free energy. The use of exact forms of equations for the thermodynamics of micellisation applicable to systems of low aggregation number leads to values of the enthalpy of micellisation in reasonable agreement with experimentally determined values.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s003960000331
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  • 8
    Electronic Resource
    Electronic Resource
    Sb(III) and Sb(V) separation and analytical speciation by a continuous tandem on-line separation device in connection with inductively coupled plasma atomic emission spectrometry (1995)
    Springer
    Fresenius' Zeitschrift für analytische Chemie 353 (1995), S. 128-132 
    Details
    ISSN: 1618-2650
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A sensitive, precise and automated non-chromatographic method for Sb(III) and Sb(V) analytical speciation based on a continuous tandem on-line separation device in connection with inductively coupled plasmatomic emission (ICP-AES) detection is proposed. Two on-line successive separation steps are included into this method: a continuous liquid-liquid extraction of Sb(III) with ammonium pyrrolidine dithiocarbamate (APDC) into methylisobuthylketone (MIBK), followed by direct stibine generation from the organic phase. Both separation steps are carried out in a continuous mode and on-line with the ICP-AES detector. Optimization of experimental conditions for the tandem separation and ICP-AES detection are investigated in detail. Detection limits for Sb(III) were 3 ng.mL|2−1|0 and for Sb(V) 8 ng.mL|2−1|0. Precisions observed are in the range ±5%. The proposed methodology has been applied to Sb(III) and Sb(V) speciation in sea-water samples.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00322945
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  • 9
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    Timing and Evolution of Cretaceous Island Arc Magmatism in Central Cuba: Implications for the History of Arc Systems in the Northwestern Caribbean (2011)
    University of Chicago Press
    Details
    Publication Date: 2011-11-01
    Print ISSN: 0022-1376
    Electronic ISSN: 1537-5269
    Topics: Geosciences
    Published by University of Chicago Press
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  • 10
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    Static structure of electrolyte systems and the linear response function on the basis of a dressed-ion theory (1998)
    American Institute of Physics
    Details
    Publication Date: 1998-08-01
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
    Published by American Institute of Physics
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