Tutorial review on validation of liquid chromatography–mass spectrometry methods: Part II

This is the part II of a tutorial review intending to give an overview of the state of the art of method validation in liquid chromatography mass spectrometry (LC–MS) and discuss specific issues that arise with MS (and MS–MS) detection in LC (as opposed to the “conventional” detectors). The Part II starts with briefly introducing the main quantitation methods and then addresses the performance related to quantification: linearity of signal, sensitivity, precision, trueness, accuracy, stability and measurement uncertainty. The last section is devoted to practical considerations in validation. With every performance characteristic its essence and terminology are addressed, the current status of treating it is reviewed and recommendations are given, how to handle it, specifically in the case of LC–MS methods.     

Assessment of different reconstruction techniques for implementing the NVSF schemes on unstructured meshes

Three new far‐upwind reconstruction techniques, New‐Technique 1, 2, and 3, are proposed in this paper, which localize the normalized variable and space formulation (NVSF) schemes and facilitate the implementation of standard bounded high‐resolution differencing schemes on arbitrary unstructured meshes. By theoretical analysis, it is concluded that the three new techniques overcome two inherent drawbacks of the original technique found in the literature. Eleven classic high‐resolution NVSF schemes developed in the past decades are selected to evaluate performances of the three new techniques relative to the original technique. Under the circumstances of arbitrary unstructured meshes, stretched meshes, and uniform triangular meshes, for each NVSF scheme, the accuracies and convergence properties, when implementing the four aforementioned far‐upwind reconstruction techniques respectively, are assessed by the pure convection of several scalar profiles. The numerical results clearly show that New‐Technique‐2 leads to a better performance in terms of overall accuracy and convergence behavior for the 11 NVSF schemes. Copyright © 2013 John Wiley & Sons, Ltd.     

Synthesis and Properties of Thermosensitive Poly(N-Isopropylacrylamide)/Waterborne Polyurethane Graded Concentration Hybrid Films

Temperature-sensitive hybrid films were synthesized with a concentration gradient by casting and UV curing of N-isopropylacrylamide (NIPAAm) monomers (0%–70%) on the free surface of waterborne polyurethane (WPU) films on a Teflon substrate. The surface hardness and contact angle of the free surface with a water drop increased asymptotically with the addition of NIPAAm, whereas those on the substrate side were virtually unchanged. The diffusion coefficient (D), rates of swelling at 20°C (below the lower critical solution temperature (LCST) of poly(N-isopropylacrylamide) (PNIPAM)) and deswelling at 50°C (above the LCST) increased with increasing NIPAM content, showing favorable thermosensitivity. In addition, the glassy state modulus and glass transition temperature (Tg) of the film increased with increasing NIPAM content, whereas the rubbery modulus decreased due to the increased molecular weight between the crosslinks. In addition, as the NIPAM content increased, the film showed a positive yield with an increased yield and fracture stress and decreased ductility. Above 50% NIPAM, the film became brittle, showing a linear stress–strain relationship.     

Recent advances of ultrasonic testing of cement based materials at early ages

To summarize some of the most important findings in the field of ultrasonic (US) testing of early age hydration and formation of structure of different cement based materials (CBMs), a review of literature with focus on US P-wave transmission and S-wave reflection methods is presented in this paper. The review shows a great ability of both US techniques to observe setting phenomena and to determine different milestones during the early age formation of CBM’s microstructure. Clear physical basis, high accuracy, and non-destructive nature of the method indicate that US methods could become standardized in the near future.     

CAMWI: Detecting protein complexes using weighted clustering coefficient and weighted density

Detection of protein complexes is very important to understand the principles of cellular organization and function. Recently, large protein–protein interactions (PPIs) networks have become available using high-throughput experimental techniques. These networks make it possible to develop computational methods for protein complex detection. Most of the current methods rely on the assumption that protein complex as a module has dense structure. However complexes have core-attachment structure and proteins in a complex core share a high degree of functional similarity, so it expects that a core has high weighted density. In this paper we present a Core-Attachment based method for protein complex detection from Weighted PPI Interactions using clustering coefficient and weighted density. Experimental results show that the proposed method, CAMWI improves the accuracy of protein complex detection.     

Random forests for functional covariates

We propose a form of random forests that is especially suited for functional covariates. The method is based on partitioning the functions' domain in intervals and using the functions' mean values across those intervals as predictors in regression or classification trees. This approach appears to be more intuitive to applied researchers than usual methods for functional data, while also performing very well in terms of prediction accuracy. The intervals are obtained from randomly drawn, exponentially distributed waiting times. We apply our method to data from Raman spectra on boar meat as well as near‐infrared absorption spectra. The predictive performance of the proposed functional random forests is compared with commonly used parametric and nonparametric functional methods and with a nonfunctional random forest using the single measurements of the curve as covariates. Further, we present a functional variable importance measure, yielding information about the relevance of the different parts of the predictor curves. Our variable importance curve is much smoother and hence easier to interpret than the one obtained from nonfunctional random forests.     

The valuation of life contingencies: A symmetrical triangular fuzzy approximation

This paper extends the framework for the valuation of life insurance policies and annuities by Andrés-Sánchez and González-Vila (2012, 2014) in two ways. First we allow various uncertain magnitudes to be estimated by means of fuzzy numbers. This applies not only to interest rates but also to the amounts to be paid out by the insurance company. Second, the use of symmetrical triangular fuzzy numbers allows us to obtain expressions for the pricing of life contingencies and their variability that are closely linked to standard financial and actuarial mathematics. Moreover, they are relatively straightforward to compute and understand from a standard actuarial point of view.     

An extension of the Yamada‐Watanabe theorem

A well‐known result on pathwise uniqueness of the solution of stochastic differential equations in is the Yamada‐Watanabe theorem. We have extended this result by replacing the Lipschitz assumption on the drift coefficient by much weaker assumption of semi‐monotonicity.     

Stability,periodicity, and symmetries of certain second‐order fractional difference equation with quadratic terms via KAM theory

By using the Kolmogorov–Arnold–Moser theory, we investigate the stability of the equilibrium solution of the difference equation where A ,B ,D > 0,u _?1,u ₀>0. We also use the symmetries to find effectively the periodic solutions with feasible periods. Copyright © 2016 John Wiley & Sons, Ltd.     

Nonlinear anisotropic elliptic equations in with variable exponents and locally integrable data

In this paper, we prove existence and regularity results for weak solutions in the framework of anisotropic Sobolev spaces for a class of nonlinear anisotropic elliptic equations in the whole with variable exponents and locally integrable data. Our approach is based on the anisotropic Sobolev inequality, a smoothness, and compactness results. The functional setting involves Lebesgue–Sobolev spaces with variable exponents. Copyright © 2016 John Wiley & Sons, Ltd.