Detecting and classifying outliers in big functional data

Advances in Data Analysis and Classification - We propose two new outlier detection methods, for identifying and classifying different types of outliers in (big) functional data sets. The proposed...     

An elastic rotative nonlinear vibration absorber (ERNVA) as a passive suppressor for vortex-induced vibrations

Nonlinear Dynamics - Vortex-induced vibration (VIV) is a self-excited and self-limited flow-induced vibration phenomenon of importance for both the academic and the technological communities....     

On a Non-Periodic Modified Euler Equation: Well-Posedness and Quasi-Invariant Measures

Potential Analysis - We consider a modified Euler equation on $\mathbb {R}^{2}$ . We prove existence of weak global solutions for bounded (and fast decreasing at infinity) initial conditions and...     

Thermal stability of the PBAT biofilms with cellulose nanostructures/essential oils for active packaging

The primary objective of this study is to evaluate the thermal stability of the active films with the cellulose nanostructure (CNS, 5?mass%) treated with encapsulated essential oils (EOs), eugenol and linalool. CNS untreated and treated were incorporated in the poly(butylene adipate-co-terephthalate) (PBAT) polymer matrix prepared by casting. In this study, all samples were characterized by FTIR, DRX, TG, DSC and SEM, elucidating the contribution of each component in the final films. CNS untreated and treated with EOs were characterized by Fourier transform infrared spectroscopy and thermogravimetric analysis (TGA), confirming the interaction between these components. The active biofilms were analyzed by TGA and DSC analyses (differential scanning calorimetry), confirming that their thermal stability was maintained similar to the neat PBAT film, without loss of properties. The CI (crystallinity index, %) of the polymeric films was calculated from heat fusion (ΔH) values, indicating that the incorporation of the nanostructures into the PBAT matrix increases the crystallinity of the biofilms, from 11.5 (neat PBAT) to 13.8% (PBAT/CNS-E), acting as a nucleating agent in the polymeric matrix. The presence of the EOs did not decrease the CNS stability, as well of the biocomposite films. Moreover, the thermal analysis confirmed that the EO was well involved by the CNS, before and after the incorporation in the PBAT polymer, as observed in the SEM images.

     

Determining elemental strontium distribution in rat bones treated with strontium ranelate and strontium citrate using 2D micro-XRF and 3D dual energy K-edge subtraction synchrotron imaging

Strontium-based medications, such as strontium ranelate, have been suggested to have therapeutic effects in patients with osteoporosis. Strontium salts available off-shelf in stores across North America are assumed to provide similar effects as strontium ranelate and thus should lead to similar distributions of elemental strontium incorporated in bone. The objective of this study was to compare the spatial distribution of strontium in animal bones following the administration of strontium ranelate and strontium citrate. Seventeen-week-old Sprague–Dawley rats were split into three groups over 10 weeks and given 625 mg/kg/day of strontium ranelate and 676 mg/kg/day of strontium citrate; the control group received no additional supplementary strontium. The humeri were collected from all animals, and strontium distribution was mapped using 2D micro-XRF and 3D dual energy K-edge subtraction (KES) imaging. 2D and 3D elemental mapping methods demonstrated that strontium delivered during treatment by both salts had the same spatial distribution. 3D elemental strontium maps of treated animal bones showed that strontium was largely observed in the trabecular regions under the epiphyseal (growth) plate. The thickness of the strontium layers in both the strontium ranelate and strontium citrate sample was not significantly different (p = .9201). 2D micro-XRF and 3D dual-energy KES images effectively elucidated the spatial distribution of elemental strontium in calcified tissue. These methods provide a novel approach to evaluating the potential efficacy of strontium supplements in the treatment of osteoporosis.     

Highly Selective Copper‐Catalyzed Asymmetric [3+2] Cycloaddition of Azomethine Ylides with Acyclic 1,3‐Dienes

The first examples of the catalytic asymmetric 1,3‐dipolar cycloaddition of azomethine ylides with acyclic activated 1,3‐dienes (and 1,3‐enynes) are described. Under copper catalysis, a selective cycloaddition at the terminal γ,δ‐C?C bond is observed. In addition, depending on the ligand used, either the exo or the endo adduct can be obtained with high selectivity. Under appropriate reaction conditions, the acyclic 1,6‐addition product is detected, suggesting a stepwise mechanism. The resulting C4‐alkenyl‐substituted pyrrolidines are suitable substrates for further access to polycyclic systems, as highlighted by the preparation of hexahydrochromeno[4,3‐b]pyrrole and the tetracyclic core of the alkaloid gracilamine.     

Essential oil from the leaves of Xylopia langsdorfiana (Annonaceae) as a possible spasmolytic agent

Xylopia langsdorfiana A. St.-Hil. &Tul. (Annonaceae) is popularly known in the northeast of Brazil as ‘pimenteira da terra’, and an essential oil (XL-OE) was extracted from its leaves. Since Xylopia species are cited in folk medicine and diterpenes from X. langsdorfiana have spasmolytic activity, this study aimed to investigate a possible spasmolytic action of XL-OE on smooth muscle models. XL-OE (243 and 729 μg/mL) showed low pharmacologic efficacy on guinea pig trachea and rat aorta and uterus. However, in guinea pig ileum, XL-OE (27–729 μg/mL) inhibited carbachol or histamine-induced phasic contractions (1 μM) in a significant and concentration-dependent manner. In addition, XL-OE (81 μg/mL) reduced fluorescence intensity in ileal myocytes stimulated by histamine, indicating a decrease in cytosolic calcium concentration, which could explain the spasmolytic activity. Thus, XL-OE proved to be a promising natural product to be used in gastrointestinal diseases acting by modulating the cytosolic calcium concentration.     

The Plasticity of the Carbohydrate Recognition Domain Dictates the Exquisite Mechanism of Binding of Human Macrophage Galactose-Type Lectin

The human macrophage galactose-type lectin (MGL), expressed on macrophages and dendritic cells (DCs), modulates distinct immune cell responses by recognizing N-acetylgalactosamine (GalNAc) containing structures present on pathogens, self-glycoproteins, and tumor cells. Herein, NMR spectroscopy and molecular dynamics (MD) simulations were used to investigate the structural preferences of MGL against different GalNAc-containing structures derived from the blood group A antigen, the Forssman antigen, and the GM2 glycolipid. NMR spectroscopic analysis of the MGL carbohydrate recognition domain (MGL-CRD, C181-H316) in the absence and presence of methyl α-GalNAc (α-MeGalNAc), a simple monosaccharide, shows that the MGL-CRD is highly dynamic and its structure is strongly altered upon ligand binding. This plasticity of the MGL-CRD structure explains the ability of MGL to accommodate different GalNAc-containing molecules. However, key differences are observed in the recognition process depending on whether the GalNAc is part of the blood group A antigen, the Forssman antigen, or GM2-derived structures. These results are in accordance with molecular dynamics simulations that suggest the existence of a distinct MGL binding mechanism depending on the context of GalNAc moiety presentation. These results afford new perspectives for the rational design of GalNAc modifications that fine tune MGL immune responses in distinct biological contexts, especially in malignancy.