Counterion Penetration and Effective Electrostatic Interactions in Solutions of Polyelectrolyte Stars and Microgels

Counterion distributions and effective electrostatic interactions between spherical macroions in polyelectrolyte solutions are calculated via second-order perturbation (linear response) theory. By modelling the macroions as continuous charge distributions that are permeable to counterions, analytical expressions are obtained for counterion profiles and effective pair interactions in solutions of star-branched and microgel macroions. The counterions are found to penetrate stars more easily than microgels, with important implications for screening of bare macroion interactions. The effective pair interactions are Yukawa in form for separated macroions, but are softly repulsive and bounded for overlapping macroions. A one-body volume energy, which depends on the average macroion concentration, emerges naturally in the theory and contributes to the total free energy.Comment: 15 pages, 5 figure

Isovector soft dipole mode in 6Be

By using the 1H(6Li,6Be)n charge-exchange reaction, continuum states in 6Be were populated up to E_t=16 MeV, E_t being the 6Be energy above its three-body decay threshold. In kinematically complete measurements performed by detecting alpha+p+p coincidences, an E_t spectrum of high statistics was obtained, containing approximately ~5x10^6 events. The spectrum provides detailed correlation information about the well-known 0^+ ground state of 6Be at E_t=1.37 MeV and its 2^+ state at E_t=3.05 MeV. Moreover, a broad structure extending from 4 to 16 MeV was observed. It contains negative parity states populated by Delta L=1 angular momentum transfer without other significant contributions. This structure can be interpreted as a novel phenomenon, i.e. the isovector soft dipole mode associated with the 6Li ground state. The population of this mode in the charge-exchange reaction is a dominant phenomenon for this reaction, being responsible for about 60% of the cross section obtained in the measured energy range.Comment: 8 pages, 7 figure

Model for the hydration of non-polar compounds and polymers

We introduce an exactly solvable statistical-mechanical model of the hydration of non-polar compounds, based on grouping water molecules in clusters where hydrogen bonds and isotropic interactions occur; interactions between clusters are neglected. Analytical results show that an effective strengthening of hydrogen bonds in the presence of the solute, together with a geometric reorganization of water molecules, are enough to yield hydrophobic behavior. We extend our model to describe a non-polar homopolymer in aqueous solution, obtaining a clear evidence of both ``cold'' and ``warm'' swelling transitions. This suggests that our model could be relevant to describe some features of protein folding.Comment: REVTeX, 6 pages, 3 figure

A volume inequality for quantum Fisher information and the uncertainty principle

Let $A_1,...,A_N$ be complex self-adjoint matrices and let $\rho$ be a density matrix. The Robertson uncertainty principle $$det(Cov_\rho(A_h,A_j)) \geq det(- \frac{i}{2} Tr(\rho [A_h,A_j]))$$ gives a bound for the quantum generalized covariance in terms of the commutators $[A_h,A_j]$. The right side matrix is antisymmetric and therefore the bound is trivial (equal to zero) in the odd case $N=2m+1$. Let $f$ be an arbitrary normalized symmetric operator monotone function and let $_{\rho,f}$ be the associated quantum Fisher information. In this paper we conjecture the inequality $$det (Cov_\rho(A_h,A_j)) \geq det (\frac{f(0)}{2} _{\rho,f})$$ that gives a non-trivial bound for any natural number $N$ using the commutators $i[\rho, A_h]$. The inequality has been proved in the cases $N=1,2$ by the joint efforts of many authors. In this paper we prove the case N=3 for real matrices

Protein sequence and structure: Is one more fundamental than the other?

We argue that protein native state structures reside in a novel "phase" of matter which confers on proteins their many amazing characteristics. This phase arises from the common features of all globular proteins and is characterized by a sequence-independent free energy landscape with relatively few low energy minima with funnel-like character. The choice of a sequence that fits well into one of these predetermined structures facilitates rapid and cooperative folding. Our model calculations show that this novel phase facilitates the formation of an efficient route for sequence design starting from random peptides.Comment: 7 pages, 4 figures, to appear in J. Stat. Phy

Effect of pasture botanical composition on milk composition in organic production

Milk samples from sixteen Norwegian Red dairy cows grazing mixed swards of either grass-red clover (GR) or mixed swards of sown and unsown species of grass, clover and other herbs (GCH) were collected during four periods. Both pastures were organically managed. Pasture botanical composition had no effect on milk fat, protein or vitamin concentration and only minor effects on fatty acid composition. Milk from GR had higher concentrations of the phytoestrogens equol, genistein and biochanin A than the milk from GCH. Concentrations of equol in milk from GR were higher than concentrations reported from experiments with red clover silage. The oxidative stability of the milk lipids was not affected by pasture type

The Persistence Length of a Strongly Charged, Rod-like, Polyelectrolyte in the Presence of Salt

The persistence length of a single, intrinsically rigid polyelectrolyte chain, above the Manning condensation threshold is investigated theoretically in presence of added salt. Using a loop expansion method, the partition function is consistently calculated, taking into account corrections to mean-field theory. Within a mean-field approximation, the well-known results of Odijk, Skolnick and Fixman are reproduced. Beyond mean-field, it is found that density correlations between counterions and thermal fluctuations reduce the stiffness of the chain, indicating an effective attraction between monomers for highly charged chains and multivalent counterions. This attraction results in a possible mechanical instability (collapse), alluding to the phenomenon of DNA condensation. In addition, we find that more counterions condense on slightly bent conformations of the chain than predicted by the Manning model for the case of an infinite cylinder. Finally, our results are compared with previous models and experiments.Comment: 13 pages, 2 ps figure

Construction of markov processes from hitting distributions

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/47648/1/440_2004_Article_BF00538487.pd

Determination of protein and amino acid requirements of lactating sows using a population-based factorial approach

Determination of appropriate nutritional requirements is essential to optimize the productivity and longevity of lactating sows. The current recommendations for requirements do not consider the large variation between animals. Therefore, the aim of this study was to determine the amino acid recommendations for lactating sows using a stochastic modeling approach that integrates population variation and uncertainty of key parameters into establishing nutritional recommendations for lactating sows. The requirement for individual sows was calculated using a factorial approach by adding the requirement for maintenance and milk. The energy balance of the sows was either negative or zero depending on feed intake being a limiting factor. Some parameters in the model were sow-specific and others were population-specific, depending on state of knowledge. Each simulation was for 1000 sows repeated 100 times using Monte Carlo simulation techniques. BW, back fat thickness of the sow, litter size (LS), average litter gain (LG), dietary energy density and feed intake were inputs to the model. The model was tested using results from the literature, and the values were all within ±1 s.d. of the estimated requirements. Simulations were made for a group of low- (LS=10 (s.d.=1), LG=2 kg/day (s.d.=0.6)), medium- (LS=12 (s.d.=1), LG=2.5 kg/day (s.d.=0.6)) and high-producing (LS=14 (s.d.=1), LG=3.5 kg/day (s.d.=0.6)) sows, where the average requirement was the result. In another simulation, the requirements were estimated for each week of lactation. The results were given as the median and s.d. The average daily standardized ileal digestible (SID) protein and lysine requirements for low-, medium- and high-producing sows were 623 (CV=2.5%) and 45.1 (CV=4.8%); 765 (CV=4.9%) and 54.7 (CV=7.0%); and 996 (CV=8.5%) and 70.8 g/day (CV=9.6%), respectively. The SID protein and lysine requirements were lowest at week 1, intermediate at week 2 and 4 and the highest at week 3 of lactation. The model is a valuable tool to develop new feeding strategies by taking into account the variable requirement between groups of sows and changes during lactation. The inclusion of between-sow variation gives information on safety margins when developing new dietary recommendations of amino acids and protein for lactating sows