This study addresses entropic segregation effects at the surfaces of monodisperse and bidisperse melts. For the monodisperse melts, we focus on the segregation of chain ends to the surface, and for the bidisperse melts, we examine the segregation of short polymers to the surface. Universal shapes have been predicted for their concentration profiles, but the derivations rely on the mean-field approximation, which only treats the excluded-volume interactions in an approximate manner. To test whether or not the predictions hold up when the polymers are rigorously prevented from overlapping, we compare mean-field calculations with Monte Carlo simulations performed on the exact same model. Apart from a significant increase in the statistical segment length, the rigorous enforcement of excluded-volume interactions has a relatively small effect on the mean-field predictions. In particular, the universal profiles predicted by mean-field theory are found to be accurate.
We introduce a simple and sensitive technique for measuring extremely low solubilities with a small sample size and small solvent volume. This technique involves measuring the decrease in the thickness of a supported thin film after exposure to a drop of known volume of solvent and removal of the solution. The feasibility of measuring very small changes in film thickness directly translates to the ability to measure extremely low solubility while at the same time using only μL of solvent. We apply the technique to the case of polystyrene with M values in the range 2500 g/mol to 22200 g/mol in alkane solvents and show that we can easily measure a solubility of 0.1 g/L using only 1[Formula: see text] g of material and 3[Formula: see text] L of solvent for each sample.
Modeling in systems and synthetic biology relies on accurate parameter estimates and predictions. Accurate model calibration relies, in turn, on data and on how well suited the available data are to a particular modeling task. Optimal experimental design (OED) techniques can be used to identify experiments and data collection procedures that will most efficiently contribute to a given modeling objective. However, implementation of OED is limited by currently available software tools that are not well suited for the diversity of nonlinear models and non-normal data commonly encountered in biological research. Moreover, existing OED tools do not make use of the state-of-the-art numerical tools, resulting in inefficient computation. Here, we present the NLoed software package and demonstrate its use with in vivo data from an optogenetic system in Escherichia coli. NLoed is an open-source Python library providing convenient access to OED methods, with particular emphasis on experimental design for systems biology research. NLoed supports a wide variety of nonlinear, multi-input/output, and dynamic models and facilitates modeling and design of experiments over a wide variety of data types. To support OED investigations, the NLoed package implements maximum likelihood fitting and diagnostic tools, providing a comprehensive modeling workflow. NLoed offers an accessible, modular, and flexible OED tool set suited to the wide variety of experimental scenarios encountered in systems biology research. We demonstrate NLoed’s capabilities by applying it to experimental design for characterization of a bacterial optogenetic system.
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