165 research outputs found
Density functional theory and demixing of binary hard rod-polymer mixtures
A density functional theory for a mixture of hard rods and polymers modeled
as chains built of hard tangent spheres is proposed by combining the functional
due to Yu and Wu for the polymer mixtures [J. Chem. Phys. {\bf 117}, 2368
(2002)] with the Schmidt's functional [Phys. Rev. E {\bf 63}, 50201 (2001)] for
rod-sphere mixtures. As a simple application of the functional, the demixing
transition into polymer-rich and rod-rich phases is examined. When the chain
length increases, the phase boundary broadens and the critical packing fraction
decreases. The shift of the critical point of a demixing transition is most
noticeable for short chains.Comment: 4 pages,2 figures, in press, PR
Entropic Interactions in Suspensions of Semi-Flexible Rods: Short-Range Effects of Flexibility
We compute the entropic interactions between two colloidal spheres immersed
in a dilute suspension of semi-flexible rods. Our model treats the
semi-flexible rod as a bent rod at fixed angle, set by the rod contour and
persistence lengths. The entropic forces arising from this additional
rotational degree of freedom are captured quantitatively by the model, and
account for observations at short range in a recent experiment. Global fits to
the interaction potential data suggest the persistence length of fd-virus is
about two to three times smaller than the commonly used value of .Comment: 4 pages, 5 figures, submitted to PRE rapid communication
Enhanced stability of layered phases in parallel hard-spherocylinders due to the addition of hard spheres
There is increasing evidence that entropy can induce microphase separation in
binary fluid mixtures interacting through hard particle potentials. One such
phase consists of alternating two dimensional liquid-like layers of rods and
spheres. We study the transition from a uniform miscible state to this ordered
state using computer simulations and compare results to experiments and theory.
We conclude that (1) there is stable entropy driven microphase separation in
mixtures of parallel rods and spheres, (2) adding spheres smaller then the rod
length decreases the total volume fraction needed for the formation of a
layered phase, therefore small spheres effectively stabilize the layered phase;
the opposite is true for large spheres and (3) the degree of this stabilization
increases with increasing rod length.Comment: 11 pages, 9 figures. Submitted to Phys. Rev. E. See related website
http://www.elsie.brandeis.ed
Theory of asymmetric non-additive binary hard-sphere mixtures
We show that the formal procedure of integrating out the degrees of freedom
of the small spheres in a binary hard-sphere mixture works equally well for
non-additive as it does for additive mixtures. For highly asymmetric mixtures
(small size ratios) the resulting effective Hamiltonian of the one-component
fluid of big spheres, which consists of an infinite number of many-body
interactions, should be accurately approximated by truncating after the term
describing the effective pair interaction. Using a density functional treatment
developed originally for additive hard-sphere mixtures we determine the zero,
one, and two-body contribution to the effective Hamiltonian. We demonstrate
that even small degrees of positive or negative non-additivity have significant
effect on the shape of the depletion potential. The second virial coefficient
, corresponding to the effective pair interaction between two big spheres,
is found to be a sensitive measure of the effects of non-additivity. The
variation of with the density of the small spheres shows significantly
different behavior for additive, slightly positive and slightly negative
non-additive mixtures. We discuss the possible repercussions of these results
for the phase behavior of binary hard-sphere mixtures and suggest that
measurements of might provide a means of determining the degree of
non-additivity in real colloidal mixtures
Neuroprotection by the endogenous cannabinoid anandamide and arvanil against in vivo excitotoxicity in the rat: Role of vanilloid receptors and lipoxygenases
Type 1 vanilloid receptors (VR1) have been identified recently in the brain, in which they serve as yet primarily undetermined purposes. The endocannabinoid anandamide (AEA) and some of its oxidative metabolites are ligands for VR1, and AEA has been shown to afford protection against ouabain-induced in vivo excitotoxicity, in a manner that is only in part dependent on the type 1 cannabinoid (CB1) receptor. In the present study, we assessed whether VR1 is involved in neuroprotection by AEA and by arvanil, a hydrolysis-stable AEA analog that is a ligand for both VR1 and CB1. Furthermore, we assessed the putative involvement of lipoxygenase metabolites of AEA in conveying neuroprotection. Using HPLC and gas chromatography/mass spectroscopy, we demonstrated that rat brain and blood cells converted AEA into 12-hydroxy-N-arachidoylethanolamine (12-HAEA) and 15-hydroxy-N-arachidonoylethanolamine (15-HAEA) and that this conversion was blocked by addition of the lipoxygenase inhibitor nordihydroguaiaretic acid. Using magnetic resonance imaging we show the following: (1) pretreatment with the reduced 12-lipoxygenase metabolite of AEA, 12-HAEA, attenuated cytotoxic edema formation in a CB1 receptor-independent manner in the acute phase after intracranial injection of the Na+/K+-ATPase inhibitor ouabain; (2) the reduced 15-lipoxygenase metabolite, 15-HAEA, enhanced the neuroprotective effect of AEA in the acute phase; (3) modulation of VR1, as tested using arvanil, the VR1 agonist capsaicin, and the antagonist capsazepine, leads to neuroprotective effects in this model, and arvanil is a potent neuroprotectant, acting at both CB1 and VR1; and (4) the in vivo neuroprotective effects of AEA are mediated by CB1 but not by lipoxygenase metabolites or VR1.FWN – Publicaties zonder aanstelling Universiteit Leide
Non-monotonic variation with salt concentration of the second virial coefficient in protein solutions
The osmotic virial coefficient of globular protein solutions is
calculated as a function of added salt concentration at fixed pH by computer
simulations of the ``primitive model''. The salt and counter-ions as well as a
discrete charge pattern on the protein surface are explicitly incorporated. For
parameters roughly corresponding to lysozyme, we find that first
decreases with added salt concentration up to a threshold concentration, then
increases to a maximum, and then decreases again upon further raising the ionic
strength. Our studies demonstrate that the existence of a discrete charge
pattern on the protein surface profoundly influences the effective interactions
and that non-linear Poisson Boltzmann and Derjaguin-Landau-Verwey-Overbeek
(DLVO) theory fail for large ionic strength. The observed non-monotonicity of
is compared to experiments. Implications for protein crystallization are
discussed.Comment: 43 pages, including 17 figure
Phase behavior of colloidal rod-sphere mixtures
We investigate the depletion induced phase separation in mixed suspensions of colloidal spheres
with diameter s and colloidal rods with length L and diameter D. Using an extension of the free
volume method developed by one of us [H.N.W. Lekkerkerker and A. Stroobants, Physica A 195,
387 (1993), we calculate the phase diagrams for L≤σ and various L/D ratios. For long thin rods,
the volume fractions of rods needed to induce phase separation scale as D2/Lσ . Good agreement
with recent experimental results is obtained
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