The rational development of molecularly imprinted polymer-based sensors for protein detection

The detection of specific proteins as biomarkers of disease, health status, environmental monitoring, food quality, control of fermenters and civil defence purposes means that biosensors for these targets will become increasingly more important. Among the technologies used for building specific recognition properties, molecularly imprinted polymers (MIPs) are attracting much attention. In this critical review we describe many methods used for imprinting recognition for protein targets in polymers and their incorporation with a number of transducer platforms with the aim of identifying the most promising approaches for the preparation of MIP-based protein sensors (277 references).     

Real time evolution of liquid crystalline nanostructure during the digestion of formulation lipids using synchrotron small-angle X-ray scattering

The role of the digestion of lipids in facilitating absorption of poorly water-soluble compounds, such as vitamins, is not only an important nutritional issue but is increasingly being recognized as an important determinant in the effectiveness of lipid-based drug formulations. It has been known for some time that lipids often form complex liquid crystalline structures during digestion and that this may impact drug solubilization and absorption. However, until recently we have been unable to detect and characterize those structures in real time and have been limited in establishing the interplay between composition, digestion, and nanostructure. Here, we establish the use of an in vitro lipid digestion model used in conjunction with synchrotron small-angle X-ray scattering by first confirming its validity using known, nondigestible liquid crystalline systems, and then extend the model to study the real time evolution of nanostructure during the digestion of common formulation lipids. The formation of liquid crystalline structures from unstructured liquid formulations is discovered, and the kinetics of formation and dependence on composition is investigated.     

Catching the first oligomerization event in the catalytic formation of polyaminoboranes: H3B·NMeHBH2·NMeH2 bound to iridium

We report the first insertion step at a metal center for the catalytic dehydropolymerization of H(3)B·NMeH(2) to form the simplest oligomeric species, H(3)B·NMeHBH(2)·NMeH(2), by the addition of 1 equiv of H(3)B·NMeH(2) to [Ir(PCy(3))(2)(H)(2)(η(2)-H(3)B·NMeH(2))][BAr(F)(4)] to give [Ir(PCy(3))(2)(H)(2)(η(2)-H(3)B·NMeHBH(2)·NMeH(2))][BAr(F)(4)]. This reaction is also catalytic for the formation of the free linear diborazane, but this is best obtained by an alternative stoichiometric synthesis.     

Nonsmooth optimization via quasi-Newton methods

We investigate the behavior of quasi-Newton algorithms applied to minimize a nonsmooth function f, not necessarily convex. We introduce an inexact line search that generates a sequence of nested intervals containing a set of points of nonzero measure that satisfy the Armijo and Wolfe conditions if f is absolutely continuous along the line. Furthermore, the line search is guaranteed to terminate if f is semi-algebraic. It seems quite difficult to establish a convergence theorem for quasi-Newton methods applied to such general classes of functions, so we give a careful analysis of a special but illuminating case, the Euclidean norm, in one variable using the inexact line search and in two variables assuming that the line search is exact. In practice, we find that when f is locally Lipschitz and semi-algebraic with bounded sublevel sets, the BFGS (Broyden–Fletcher–Goldfarb–Shanno) method with the inexact line search almost always generates sequences whose cluster points are Clarke stationary and with function values converging R-linearly to a Clarke stationary value. We give references documenting the successful use of BFGS in a variety of nonsmooth applications, particularly the design of low-order controllers for linear dynamical systems. We conclude with a challenging open question.     

Steady Periodic Water Waves with Constant Vorticity: Regularity and Local Bifurcation

This paper studies periodic traveling gravity waves at the free surface of water in a flow of constant vorticity over a flat bed. Using conformal mappings the free-boundary problem is transformed into a quasilinear pseudodifferential equation for a periodic function of one variable. The new formulation leads to a regularity result and, by use of bifurcation theory, to the existence of waves of small amplitude even in the presence of stagnation points in the flow.     

Symmetric Group Decomposition Numbers for Some Three-Part Partitions

The decomposition numbers d _λμ for Specht modules S ^λ of partitions λ with three parts and whose third part is at most p ? 1 are obtained by induction and by using “node removal rules” developed in James and Williams (2000 James , G. D. , Williams , A. L. (2000). Decomposition numbers of symmetric groups by induction. J. Algebra 228:119–142. [CSA] [CROSSREF]  [Google Scholar]).     

Induced Decompositions of Graphs

We consider those graphs G that admit decompositions into copies of a fixed graph F, each copy being an induced subgraph of G. We are interested in finding the extremal graphs with this property, that is, those graphs G on n vertices with the maximum possible number of edges. We discuss the cases where F is a complete equipartite graph, a cycle, a star, or a graph on at most four vertices.     

Fast Inference for the Latent Space Network Model Using a Case-Control Approximate Likelihood

Multilevel modeling is a popular statistical technique for analyzing data in hierarchical format, and thus naturally fits within a distributed database framework. We consider the computational aspects of multilevel modeling across distributed databases. In addition, we consider these aspects under a generalization of the multilevel model where the distributed groups (or databases) are allowed to specify different models at both level-1 (individual) and level-2 (group). For a variety of scenarios, we develop the distributed computation algorithm for two-step least squares (LS) estimators and also for iterative MLE estimators of the parameters of interest; in particular, we determine the required data structure at each computing site, the necessary information (original data, cross-product matrices, coefficient vectors), and the order in which such information needs to be passed between sites. Finally, we discuss recursive updating, fault tolerance, and security issues.     

A new method for variable temperature gradient shimming

Sample convection can severely attenuate the signals observed in pulsed field gradient spin--echo experiments such as those used for gradient shimming. A new class of pulse sequences is proposed, in which a double spin--echo refocuses the phase errors caused by sample convection, enabling gradient shimming to be performed reliably over a wide range of temperatures.