Interactions between poloxamers in aqueous solutions: micellization and gelation studied by differential scanning calorimetry, small angle X-ray scattering, and rheology

Poloxamers F88 (EO97PO39EO97) and P85 (EO27PO39EO27) are triblock copolymers of ethylene oxide (EO) and propylene oxide (PO), which have the same hydrophobic PO block. We studied aqueous solutions of these two copolymers by the conjoint use of differential scanning calorimetry (DSC), rheology, and small-angle X-ray scattering (SAXS). The results showed that the temperature-induced micellization of aqueous solutions of F88 and P85 was a progressive process followed by gelation for sufficiently concentrated samples. Gelation was due to the ordered packing of micelles under a hexagonal compact (HC) structure for P85 and a body-centered cubic (BCC) phase for F88. Importantly, the phase diagram of F88/P85 mixtures in water was elucidated and showed the destabilization of the HC phase upon addition of small amounts of F88.     

Classification of malignant gliomas by infrared spectroscopic imaging and linear discriminant analysis

Infrared (IR) spectroscopy provides a sensitive molecular fingerprint for tissue without external markers. Supervised classification models can be trained to identify the tissue type based on the spectroscopic fingerprint. Infrared imaging spectrometers equipped with multi-channel detectors combine the spectral and spatial information. Tissue areas of 4 x 4 mm(2) can be analyzed within a few minutes in the macroscopic imaging mode. An approach is described to apply this methodology to human astrocytic gliomas, which are graded according to their malignancy from one to four. Multiple IR images of three tissue sections from one patient with a malignant glioma are acquired and assigned to the six classes normal brain tissue, astrocytoma grade II, astrocytoma grade III, glioblastoma multiforme grade IV, hemorrhage, and other tissue by a linear discriminant analysis model which was trained by data from a single-channel detector. Before the model is applied here, the spectra are shown to be virtually identical. The first specimen contained approximately 95% malignant glioma regions, that means astrocytoma grade III or glioblastoma. The smaller percentage of 12-34% malignant glioma in the second specimen is consistent with its location at the tumor periphery. The detection of less than 0.2% malignant glioma in the third specimen points to a location outside the tumor. The results were correlated with the cellularity of the tissue which was obtained from the histopathologic gold standard. Potential applications of IR spectroscopic imaging as a rapid tool to complement established diagnostic methods are discussed.     

Formation of spanning water networks on protein surfaces via 2D percolation transition

The formation of spanning hydrogen-bonded water networks on protein surfaces by a percolation transition is closely connected with the onset of their biological activity. To analyze the structure of the hydration water at this important threshold, we performed the first computer simulation study of the percolation transition of water in a model protein powder and on the surface of a single protein molecule. The formation of an infinite water network in the protein powder occurs as a 2D percolation transition at a critical hydration level, which is close to the values observed experimentally. The formation of a spanning 2D water network on a single rigid protein molecule can be described by adapting the cluster analysis of conventional percolation studies to the characterization of the connectivity of the hydration water on the surface of finite objects. Strong fluctuations of the surface water network are observed close to the percolation threshold. Our simulations also furnish a microscopic picture for understanding the specific values of the experimentally observed hydration levels, where different steps of increasing mobility in the hydrated powder are observed.     

Effect of Doping and Solution Redox Relays on the Efficiency of Photocathodic Processes at the p-InP/Water Interface

Light-induced interfacial electron transfer from two p-InP electrodes differing in the amount of majority carrier doping to a number of electron relays ( R ) dissolved in aqueous solution was investigated. The material with the lower carrier density (0.71 × 10¹⁸ cm^?3) exhibited much better wavelength response and quantum yield for electron transfer than the electrode doped with 2.3 × 10¹⁸ cm^?3 charge carriers. Using cobalt (III) sepulcrate, Co (sep)³⁺, as an electron relay a polychromatic light to electrical energy conversion efficiency of 18% was obtained. The potential of this relay for use in a regenerative photoelectrochemical cell is briefly discussed.     

Evolutionary multiobjective optimization in noisy problem environments

This paper presents a multiobjective evolutionary algorithm (MOEA) capable of handling stochastic objective functions. We extend a previously developed approach to solve multiple objective optimization problems in deterministic environments by incorporating a stochastic nondomination-based solution ranking procedure. In this study, concepts of stochastic dominance and significant dominance are introduced in order to better discriminate among competing solutions. The MOEA is applied to a number of published test problems to assess its robustness and to evaluate its performance relative to NSGA-II. Moreover, a new stopping criterion is proposed, which is based on the convergence velocity of any MOEA to the true Pareto optimal front, even if the exact location of the true front is unknown. This stopping criterion is especially useful in real-world problems, where finding an appropriate point to terminate the search is crucial.     

Multiple shooting methods for parabolic optimal control problems with control constraints

In the context of ordinary differential equations, shooting techniques are a state-of-the-art solver component, whereas their application in the framework of partial differential equations (PDE) is still at an early stage. We present two multiple shooting approaches for optimal control problems (OCP) governed by parabolic PDE. Direct and indirect shooting for PDE optimal control stem from the same extended problem formulation. Our approach reveals that they are structurally similar but show major differences in their algorithmic realizations. In the presented numerical examples we cover a nonlinear parabolic optimal control problem with additional control constraints. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On operators and search space topology in multi-objective flow shop scheduling

Multi-objective optimization using evolutionary algorithms identifies Pareto-optimal alternatives or their close approximation by means of a sequence of successive local improvement moves. While several successful applications to combinatorial optimization problems are known, studies of underlying problem structures are still scarce.