Azobioisosteres of Curcumin with Pronounced Activity against Amyloid Aggregation,Intracellular Oxidative Stress,and Neuroinflammation

Many (poly-)phenolic natural products, for example, curcumin and taxifolin, have been studied for their activity against specific hallmarks of neurodegeneration, such as amyloid-β 42 (Aβ42) aggregation and neuroinflammation. Due to their drawbacks, arising from poor pharmacokinetics, rapid metabolism, and even instability in aqueous medium, the biological activity of azobenzene compounds carrying a pharmacophoric catechol group, which have been designed as bioisoteres of curcumin has been examined. Molecular simulations reveal the ability of these compounds to form a hydrophobic cluster with Aβ42, which adopts different folds, affecting the propensity to populate fibril-like conformations. Furthermore, the curcumin bioisosteres exceeded the parent compound in activity against Aβ42 aggregation inhibition, glutamate-induced intracellular oxidative stress in HT22 cells, and neuroinflammation in microglial BV-2 cells. The most active compound prevented apoptosis of HT22 cells at a concentration of 2.5 μm (83 % cell survival), whereas curcumin only showed very low protection at 10 μm (21 % cell survival).     

A Callan-Symanzik study of the λϕ34+gϕ36 theory

We investigate a $\text{L}{}_{\mathrm{<mtext>I</mtext>}}\text{=λ?}{}_3{}^4\text{+g?}{}_3{}^6$ theory using Callan-Symanzik equations. Logarithmic corrections to trivial fixed-point behaviour are obtained. The theory is shown to correspond to a model for tri-critical phenomena in ³He⁴He mixtures.     

A Monte Carlo study of finite temperature λφ 2, 3 4 ⋆

Zeitschrift für Physik C Particles and Fields - We study the finite temperature behaviour of λφ4 theory in two and three dimensions, using Monte Carlo simulations. We renormalize the...     

Attenuation of the depolarizing field in a thin film model relaxor

The behavior of the polarization in a microscopic statistical model for a thin film relaxor placed between two metallic electrodes is studied by numerical simulations. Depolarization fields different from zero, due to a non-perfect compensation of surface charges at the metallic electrodes, are taken into account. Different thicknesses and different values of the compositional charge disorder density for the relaxor are considered. Depolarization field is found to be extremely attenuated for large values of the number density of charge carriers in the relaxor. In such a case, field attenuation allows for the existence of a homogeneous ferroelectric ground state.     

Robust branch-cut-and-price for the Capacitated Minimum Spanning Tree problem over a large extended formulation

This paper presents a robust branch-cut-and-price algorithm for the Capacitated Minimum Spanning Tree Problem (CMST). The variables are associated to q-arbs, a structure that arises from a relaxation of the capacitated prize-collecting arborescence problem in order to make it solvable in pseudo-polynomial time. Traditional inequalities over the arc formulation, like Capacity Cuts, are also used. Moreover, a novel feature is introduced in such kind of algorithms: powerful new cuts expressed over a very large set of variables are added, without increasing the complexity of the pricing subproblem or the size of the LPs that are actually solved. Computational results on benchmark instances from the OR-Library show very significant improvements over previous algorithms. Several open instances could be solved to optimality.     

A New and Self-Contained Proof of Borwein’s Norm Duality Theorem

Borwein’s norm duality theorem establishes the equality between the outer (inner) norm of a sublinear mapping and the inner (outer) norm of its adjoint mappings. In this note we provide an extended version of this theorem with a new and self-contained proof relying only on the Hahn-Banach theorem. We also give examples showing that the assumptions of the theorem cannot be relaxed. This author is supported by Grant BES-2003-0188 from FPI Program of MEC (Spain).     

Optimal rates of linear convergence of the averaged alternating modified reflections method for two subspaces

Numerical Algorithms - The main difficulty for solving semi-infinite programming (SIP) problem is precisely that it has infinitely many constraints. By using a maximum function, the SIP problem can...     

Quasicrystalline and rational approximant wave patterns in hydrodynamic and quantum nested wells

The eigenfunctions of nested wells with an incommensurate boundary geometry, in both the hydrodynamic shallow water regime and quantum cases, are systematically and exhaustively studied in this Letter. The boundary arrangement of the nested wells consists of polygonal ones, square or hexagonal, with a concentric immersed, similar but rotated, well or plateau. A rich taxonomy of wave patterns, such as quasicrystalline states, their crystalline rational approximants, and some other exotic but well known tilings, is found in these mimicked experiments. To the best of our knowledge, these hydrodynamic rational approximants are presented here for the first time in a hydrodynamic-quantum framework. The corresponding statistical nature of the energy level spacing distribution reflects this taxonomy by changing the spectral types.     

Impact of Molecular Size and Shape on the Supramolecular Co-Assembly of Chiral Tricarboxamides: A Comparative Study

A comparative investigation of the chiral amplification features of a series of three families of C₃-symmetric tricarboxamides, 1,3,5-triphenylbenzenetricarboxamides (TPBAs), benzenetricarboxamides (BTAs) and oligo(phenylene ethynylene) tricarboxamides (OPE-TAs), is here reported. As previously observed for BTAs and OPE-TAs, a similar dichroic response is obtained for TPBAs decorated with one, two or three chiral side chains bearing stereogenic centers, thus confirming the efficient transfer of point chirality to the supramolecular helical aggregates. Unlike BTAs and OPE-TAs, the chiral amplification ability of TPBAs in majority rules experiments shows a negligible dependence on the number of chiral centers per monomeric unit, and stands the largest among the series of tricarboxamides. Detailed experimental and theoretical studies demonstrate that the rotation angle between the TPBA units in the helical stack is intermediate to that observed for BTAs and OPE-TAs. This feature strongly conditions the steric interactions between vicinal molecules in the stack and the final chiral amplification outcome. Furthermore, theoretical calculations show that achiral side chains favor the interdigitation of the helical aggregates and thereby the formation of bundle superstructures.     

Synthesis and electrochemical reaction with lithium of mesoporous iron oxalate nanoribbons

Mesoporous FeC 2O 4 was prepared by dehydration of bulk monoclinic- and micellar orthorhombic FeC 2O 4.2H 2O precursors at 200 degrees C. The micellar material shows nanoribbon shaped particles, which are preserved after dehydration. These solids are used as high-capacity lithium storage materials with improved rate performance. The mesoporous nanoribbons exhibit higher capacities close to 700 mA h/g after 50 cycles at 2C (C = 1 Li h (-1) mol (-1)) rate between 0 and 2 V.