A numerical technique based on B-spline for a class of time-fractional diffusion equation

This paper presents an efficient numerical technique for solving a class of time-fractional diffusion equation. The time-fractional derivative is described in the Caputo form. The L1 scheme is used for discretization of Caputo fractional derivative and a collocation approach based on sextic B-spline basis function is employed for discretization of space variable. The unconditional stability of the fully-discrete scheme is analyzed. Two numerical examples are considered to demonstrate the accuracy and applicability of our scheme. The proposed scheme is shown to be sixth order accuracy with respect to space variable and (2 − α)-th order accuracy with respect to time variable, where α is the order of temporal fractional derivative. The numerical results obtained are compared with other existing numerical methods to justify the advantage of present method. The CPU time for the proposed scheme is provided.     

Franz and his friends: 35-years of s-process studies by the Karlsruhe–Torino collaboration

The European Physical Journal A - We discuss the sequence of developments that over the past 90 years led to current insights on heavy-element stability. The semi-empirical mass model, and its...     

On the separation of stress-induced and texture-induced birefringence in acoustoelasticity

In this paper we develop a simple micromechanical model of a prestressed polycrystalline aggregate, in which the texture-induced and stress-induced anisotropies of the aggregate are precisely defined; here the word texture always refers to the texture of the aggregate at the given prestressed configuration, not to that of a perhaps fictitious natural state of the aggregate. We use this model to derive, for a prestressed orthotropic aggregate of cubic crystallites, a birefringence formula which shows explicitly the effects of the orthotropic texture on the acoustoelastic coefficients. From this formula we observe that, generally speaking, we cannot separate the total birefringence into two distinct parts, one reflecting purely the influence of stress on the birefringence, and the other encompassing all the effects of texture. The same formula, on the other hand, provides for each material specific quantitative criteria under which the separation of stress-induced and texture-induced birefringence would become meaningful in an approximate sense.     

A Jordan Curve Spanned by a Complete Minimal Surface

In this paper we construct complete (conformal) minimal immersions which admit continuous extensions to the closed disk, . Moreover, is a homeomorphism and is a (non-rectifiable) Jordan curve with Hausdorff dimension 1. It turns out that the set of Jordan curves constructed by the above procedure is dense in the space of Jordan curves of with the Hausdorff metric.     

A CFD comparative study of bubble break-up models in a turbulent multiphase jet

In this paper several bubble break-up models are compared. They have been implemented in the CFX-4.4 fluid dynamic commercial code, which uses the population balance equations for describing liquid/gas multi-phase flows. The models have been assessed against published experimental data, obtained for air bubble break-up within a turbulent water jet. The model of Martínez-Bazán, based on purely kinematics arguments, has shown better agreement with the experimental data. The capabilities of using these models coupled to a CFD code for multiphase flow prediction in industrial applications have been demonstrated.     

Spontaneous Reconstitution of Functional Transmembrane Proteins During Bioorthogonal Phospholipid Membrane Synthesis

Transmembrane proteins are critical for signaling, transport, and metabolism, yet their reconstitution in synthetic membranes is often challenging. Non‐enzymatic and chemoselective methods to generate phospholipid membranes in situ would be powerful tools for the incorporation of membrane proteins. Herein, the spontaneous reconstitution of functional integral membrane proteins during the de novo synthesis of biomimetic phospholipid bilayers is described. The approach takes advantage of bioorthogonal coupling reactions to generate proteoliposomes from micelle‐solubilized proteins. This method was successfully used to reconstitute three different transmembrane proteins into synthetic membranes. This is the first example of the use of non‐enzymatic chemical synthesis of phospholipids to prepare proteoliposomes.     

How Does Peripheral Functionalization of Ruthenium(II)–Terpyridine Complexes Affect Spatial Charge Redistribution after Photoexcitation at the Franck–Condon Point?

Ruthenium polypyridine‐type complexes are extensively used sensitizers to convert solar energy into chemical and/or electrical energy, and they can be tailored through their metal‐to‐ligand charge‐transfer (MLCT) properties. Much work has been directed at harnessing the triplet MLCT state in photoinduced processes, from sophisticated molecular architectures to dye‐sensitized solar cells. In dye‐sensitized solar cells, strong coupling to the semiconductor exploits the high reactivity of the (hot) singlet/triplet MLCT state. In this work, we explore the nature of the ¹MLCT states of remotely substituted Ru^II model complexes by both experimental and theoretical techniques. Two model complexes with electron‐withdrawing (i.e. NO₂) and electron‐donating (i.e. NH₂) groups were synthesized; these complexes contained a phenylene spacer to serve as a spectroscopic handle and to confirm the contribution of the remote substituent to the ¹MLCT transition. [Ru(tpy)₂]²⁺‐based complexes (tpy=2,2′:6′,2′′‐terpyridine) were further desymmetrized by tert‐butyl groups to yield unidirectional ¹MLCTs with large transition dipole moments, which are beneficial for related directional charge‐transfer processes. Detailed comparison of experimental spectra (deconvoluted UV/Vis and resonance Raman spectroscopy data) with theoretical calculations based on density functional theory (including vibronic broadening) revealed different properties of the optically active bright ¹MLCT states already at the Franck–Condon point.     

Optical Activity in the Near‐IR Region: The λ=980 nm Multiplet of Chiral Yb3+ Complexes

We used a very simplified electrostatic model based on charge and polarizability of atoms and groups on an organic ligand around a lanthanide ion to predict the near‐infrared electronic circular dichroism (NIR ECD) spectra of Yb³⁺ (a monoelectronic ion). We tuned our method by using two widely different complexes. The first was the heterobimetallic species CsYb(hfbc)₄ [hfbc=(?)‐3‐heptafluorobutyrylcamphorate], in which the ligand is a diketonate and, as such, is endowed with a chromophore with strong UV absorption (π–π^*). Its oxygen atoms define a square antiprism, which provides a symmetric coordination polyhedron. The second system was Yb DOTMA [DOTMA=(1R,4R,7R,10R)‐α,α′,α′′,α′′′‐tetramethyl‐1,4,7,10‐tetraazacyclododecane‐1,4,7,10‐tetraacetic acid], a chiral Yb analogue of Gd DOTA (DOTA=1,4,7,10‐tetraazacyclododecane‐1,4,7,10‐tetraacetic acid), in which the ligand lacks relevant electronic transitions and provides a dissymmetric cage. The relative weights of dynamic (ligand polarization) and static contributions to Yb NIR ECD were evaluated, and the spectra appear to have been well predicted by theory through the introduction of a heuristic weight factor. To validate the approach and to confirm the value of the weight factor, we applied it to two other compounds, namely, Na₃Yb(BINOLate)₃ and Yb(BINOLAM)₃ [BINOLate=2,2′‐dihydroxy‐1,1′‐binaphthyl; BINOLAM=3,3′‐bis(diethylaminomethyl)‐1‐1′‐bi‐2‐naphthol].     

Electrochemical Immunosensor for the Determination of Total Ghrelin Hormone in Saliva

An electrochemical immunosensor for ghrelin (GHRL) determination in saliva is reported. Anti‐GHRL was immobilized onto Protein G‐magnetic beads and a competitive immunoassay involving biotinylated GHRL and alkaline phosphatase‐streptavidin was implemented. Once conjugate was magnetically captured on a screen‐printed carbon electrode, GHRL quantization was accomplished by DPV of 1‐naphtol formed upon addition of 1‐naphtyl phosphate. A linear range between 10^?3 and 10³ ng/mL GHRL, and a LOD of 7 pg/mL, much smaller than those from commercial ELISA kits, were found. The usefulness of the immunosensor was demonstrated by analyzing human saliva spiked with GHRL at 0.01, 0.1, 1 and 10 ng/mL.