Spontaneous repulsion in the A+B→0 reaction on coupled networks.

We study the transient dynamics of an A+B→0 process on a pair of randomly coupled networks, where reactants are initially separated. We find that, for sufficiently small fractions q of cross couplings, the concentration of A (or B) particles decays linearly in a first stage and crosses over to a second linear decrease at a mixing time t_{x}. By numerical and analytical arguments, we show that for symmetric and homogeneous structures t_{x}∝(〈k〉/q)log(〈k〉/q) where 〈k〉 is the mean degree of both networks. Being this behavior is in marked contrast with a purely diffusive process, where the mixing time would go simply like 〈k〉/q, we identify the logarithmic slowing down in t_{x} to be the result of a spontaneous mechanism of repulsion between the reactants A and B due to the interactions taking place at the networks' interface. We show numerically how this spontaneous repulsion effect depends on the topology of the underlying networks.

Matrix Density Engineering of Hydrogel Nanoparticles with Simulation-Guided Synthesis for Tuning Drug Release and Cellular Uptake.

The use of a nanoparticle (NP)-based antitumor drug carrier has been an emerging strategy for selectively delivering the drugs to the tumor area and, thus, reducing the side effects that are associated with a high systemic dose of antitumor drugs. Precise control of drug loading and release is critical so as to maximize the therapeutic index of the NPs. Here, we propose a simple method of synthesizing NPs with tunable drug release while maintaining their loading ability, by varying the polymer matrix density of amine- or carboxyl-functionalized hydrogel NPs. We find that the NPs with a loose matrix released more cisplatin, with up to a 33 times faster rate. Also, carboxyl-functionalized NPs loaded more cisplatin and released it at a faster rate than amine-functionalized NPs. We performed detailed Monte Carlo computer simulations that elucidate the relation between the matrix density and drug release kinetics. We found good agreement between the simulation model and the experimental results for drug release as a function of time. Also, we compared the cellular uptake between amine-functionalized NPs and carboxyl-functionalized NPs, as a higher cellular uptake of NPs leads to improved cisplatin delivery. The amine-functionalized NPs can deliver 3.5 times more cisplatin into cells than the carboxyl-functionalized NPs. The cytotoxic efficacy of both the amine-functionalized NPs and the carboxyl-functionalized NPs showed a strong correlation with the cisplatin release profile, and the latter showed a strong correlation with the NP matrix density.

Reaction efficiency effects on binary chemical reactions.

We study the effect of the variation of reaction efficiency in binary reactions. We use the well-known A + B → 0 model, which has been extensively studied in the past. We perform simulations on this model where we vary the efficiency of reaction, i.e., when two particles meet they do not instantly react, as has been assumed in previous studies, but they react with a probability γ, where γ is in the range 0 < γ < 1. Our results show that at small γ values the system is reaction limited, but as γ increases it crosses over to a diffusion limited behavior. At early times, for small γ values, the particle density falls slower than for larger γ values. This fall-off goes over a crossover point, around the value of γ = 0.50 for high initial densities. Under a variety of conditions simulated, we find that the crossover point was dependent on the initial concentration but not on the lattice size. For intermediate and long times simulations, all γ values (in the depleted reciprocal density versus time plot) converge to the same behavior. These theoretical results are useful in models of epidemic reactions and epidemic spreading, where a contagion from one neighbor to the next is not always successful but proceeds with a certain probability, an analogous effect with the reaction probability examined in the current work.

Fractal dimension of microbead assemblies used for protein detection.

We use fractal analysis to calculate the protein concentration in a rotating magnetic assembly of microbeads of size 1 µm, which has optimized parameters of sedimentation, binding sites and magnetic volume. We utilize the original Forrest-Witten method, but due to the relatively small number of bead particles, which is of the order of 500, we use a large number of origins and also a large number of algorithm iterations. We find a value of the fractal dimension in the range 1.70-1.90, as a function of the thrombin concentration, which plays the role of binding the microbeads together. This is in good agreement with previous results from magnetorotation studies. The calculation of the fractal dimension using multiple points of reference can be used for any assembly with a relatively small number of particles.

Biomechanical comparison in different jumping tasks between untrained boys and men.

This study examines the biomechanical differences during different vertical jump tasks in 12 prepubescent and 12 adult males. The sagittal knee kinematics, vertical ground reaction force (vGRF) and electromyographic (EMG) activity of 5 lower extremity muscles were recorded. Compared with boys, men presented higher peak vGRF during the propulsive phase in all examined jumps, but lower values during the braking phase, even when related to body mass. Normalized EMG agonist activity in all phases was higher in men (p < .05), while antagonist coactivation was enhanced in boys (p < .05). The knee joint was on average 9 degrees more flexed at touchdown in men during drop jump tasks, but boys exhibited 12 degrees and 17 degrees higher knee flexion at the deepest point when performing drop jump from 20 and 40 cm, respectively. In conclusion, the performance deficit observed in boys in all jump types is a reflection of their immature technique, which could be partly attributed to the less efficient stiffness regulation and activation of their neuromuscular system.