Photothermal Heating-Assisted Superior Antibacterial and Antibiofilm Activity of High-Entropy-Alloy Nanoparticles

Antibacterial elements and non-contact heating abilities have been proven effective for antibacterial and antibiofilm activities, but it remains a challenge to integrate both within one material. Herein, assisted by the high-entropy effect, FeNiTiCrMnCu_x high-entropy alloy nanoparticles (HEA-NPs) with excellent photothermal heating properties for boosting antibacterial and antibiofilm performances are synthesized. Benefitting from the synergetic effect of copper ions released and thermal damage by the HEA-NPs, more reactive oxygen species (ROS) are generated, leading to the rupture of the cell membranes and the eradication of the biofilms. As a result, the antibiofilm efficiency (400 µg mL⁻¹) of the mostly optimized FeNiTiCrMnCu_1.0 HEA-NPs in the marine nutrient medium, which is the worst-case scenario for the antimicrobial material, can be improved from 81% to 97.4% under 30 min solar irradiation (1 sun). The present study demonstrates a new strategy for effectively treating marine microorganisms that cause biofouling and microbial corrosion using HEA-NPs with photothermal heating characteristics as an antibacterial auxiliary.     

On mesh restrictions to satisfy comparison principles,maximum principles,and the non-negative constraint: Recent developments and new results

This article concerns mesh restrictions that are needed to satisfy several important mathematical properties—maximum principles, comparison principles, and the nonnegative constraint—for a general linear second-order elliptic partial differential equation. We critically review some recent developments in the field of discrete maximum principles, derive new results, and discuss some possible future research directions in this area. In particular, we derive restrictions for a three-node triangular (T3) element and a four-node quadrilateral (Q4) element to satisfy comparison principles, maximum principles, and the nonnegative constraint under the standard single-field Galerkin formulation. Analysis is restricted to uniformly elliptic linear differential operators in divergence form with Dirichlet boundary conditions specified on the entire boundary of the domain. Various versions of maximum principles and comparison principles are discussed in both continuous and discrete settings. In the literature, it is well-known that an acute-angled triangle is sufficient to satisfy the discrete weak maximum principle for pure isotropic diffusion. Herein, we show that this condition can be either too restrictive or not sufficient to satisfy various discrete principles when one considers anisotropic diffusivity, advection velocity field, or linear reaction coefficient. Subsequently, we derive appropriate restrictions on the mesh for simplicial (e.g., T3 element) and nonsimplicial (e.g., Q4 element) elements. Based on these conditions, an iterative algorithm is developed to construct simplicial meshes that preserve discrete maximum principles using existing open source mesh generators. Various numerical examples based on different types of triangulations are presented to show the pros and cons of placing restrictions on a computational mesh. We also quantify local and global mass conservation errors using representative numerical examples and illustrate the performance of metric.     

5 nm Silver Nanoparticles Amplify Clinical Features of Atopic Dermatitis in Mice by Activating Mast Cells

The triggering effect of silver nanoparticles (NPs) on the induction of allergic reactions is evaluated, by studying the activation of mast cells and the clinical features of atopic dermatitis in a mouse model. Granule release is induced in RBL‐2H3 mast cells by 5 nm, but not 100 nm silver NPs. Increases in the levels of reactive oxygen species (hydrogen peroxide and mitochondrial superoxide) and intracellular Ca⁺⁺ in mast cells are induced by 5 nm silver NPs. In a mouse model of atopic dermatitis induced by a mite allergen, the skin lesions are more severe and appear earlier in mice treated simultaneously with 5 nm silver NPs and allergen compared with mice treated with allergen alone or 100 nm silver NPs and allergen. The histological findings reveal that number of tryptase‐positive mast cells and total IgE levels in the serum increase in mice treated with 5 nm silver NPs and allergen. The results in this study indicate that cotreatment with 5 nm silver NPs stimulates mast cell degranulation and induces earlier and more severe clinical alterations in allergy‐prone individuals.     

Multifunctional Gadolinium‐Doped Mesoporous TiO2 Nanobeads: Photoluminescence,Enhanced Spin Relaxation,and Reactive Oxygen Species Photogeneration,Beneficial for Cancer Diagnosis and Treatment

Materials with controllable multifunctional abilities for optical imaging (OI) and magnetic resonant imaging (MRI) that also can be used in photodynamic therapy are very interesting for future applications. Mesoporous TiO₂ sub‐micrometer particles are doped with gadolinium to improve photoluminescence functionality and spin relaxation for MRI, with the added benefit of enhanced generation of reactive oxygen species (ROS). The Gd‐doped TiO₂ exhibits red emission at 637 nm that is beneficial for OI and significantly improves MRI relaxation times, with a beneficial decrease in spin–lattice and spin–spin relaxation times. Density functional theory calculations show that Gd³⁺ ions introduce impurity energy levels inside the bandgap of anatase TiO₂, and also create dipoles that are beneficial for charge separation and decreased electron–hole recombination in the doped lattice. The Gd‐doped TiO₂ nanobeads (NBs) show enhanced ability for ROS monitored via ^?OH radical photogeneration, in comparison with undoped TiO₂ nanobeads and TiO₂ P25, for Gd‐doping up to 10%. Cellular internalization and biocompatibility of TiO₂@x Gd NBs are tested in vitro on MG‐63 human osteosarcoma cells, showing full biocompatibility. After photoactivation of the particles, anticancer trace by means of ROS photogeneration is observed just after 3 min irradiation.     

Catalase-imprinted Fe<Subscript>3</Subscript>O<Subscript>4</Subscript>/Fe@fibrous SiO<Subscript>2</Subscript>/polydopamine nanoparticles: An integrated nanoplatform of magnetic targeting,magnetic resonance imaging,and dual-mode cancer therapy

Recent advances in the research on the molecular mechanism of cell death and methods for preparation of nanomaterials make the integration of various therapeutic approaches,targeting,and imaging modes into a single nanoscale complex a new trend for the development of future nanotherapeutics.Hence,a novel ellipsoidal composite nanoplatform composed of a magnetic Fe3O4/Fe nanorod core (～120 nm) enwrapped by a catalase (CAT)-imprinted fibrous SiO2/ polydopamine (F-SiO2/PDA) shell with thickness 70 nm was prepared in this work.In vitro experiments showed that the Fe3O4/Fe@F-SiO2/PDA nanoparticles can selectively inhibit the bioactivity of CAT in tumor cells by the molecular imprinting technique.As a result,the H2O2 level in tumor cells was elevated dramatically.At the same time,the Fe3O4/Fe core released Fe ions to catalyze the conversion of H2O2 to ·OH in tumor cells.Eventually,the concentration of ·OH in tumor cells rapidly rose to a lethal level thus triggering apoptosis.Combined with the remarkable near-infrared light (NIR) photothermal effect of the CATimprinted PDA layer,the Fe3O4/Fe@F-SiO2/PDA nanoparticles can effectively kill MCF-7,HeLa,and 293T tumor cells but are not toxic to nontumor cells.Furthermore,these nanoparticles show good capacity for magnetic targeting and suitability for magnetic resonance imaging (MRI).Therefore,the integrated multifunctional nanoplatform opens up new possibilities for high-efficiency visual targeted nonchemo therapy for cancer.     

Crystallographic analysis on small fatigue crack propagation behaviour of a nickel-based single crystal superalloy

In situ observations by scanning electron microscopy show that small fatigue cracks in a nickel-based single crystal superalloy are inclined to the loading direction and propagate in dominant crystallographic manners. In order to evaluate the driving forces for inclined crack propagation, three-dimensional anisotropic linear elastic finite-element analysis is conducted. The plastic zone size on the dominant slip plane has been calculated and proposed to correlate the fatigue crack growth. It is shown that this parameter takes into account both material anisotropy and octahedral fracture modes, and it can effectively characterize small crack propagation behaviour.     

Drug self-assembly: A phenomenon at the nanometer scale with major impact in the structure–biological properties relationship and the treatment of disease

Under water-rich conditions, small amphiphilic and hydrophobic drug molecules self-assemble into supramolecular nanostructures. Thus, substantial modifications in their interaction with cellular structures and the ability to reach intracellular targets could happen. Additionally, drug aggregates could be more toxic than the non-aggregated counterparts, or vice versa. Moreover, since self-aggregation reduces the number of effective “monomeric” molecules that interact with the target, the drug potency could be underestimated. In other cases, the activity could be ascribed to the non-aggregated molecule while it stems from its aggregates. Thus, drug self-assembly could mislead from drug throughput screening assays to advanced preclinical and clinical trials. Finally, aggregates could serve as crystallization nuclei. The impact that this phenomenon has on the biological performance of active compounds, the inconsistent and often controversial nature of the published data and the need for recommendations/guidelines as preamble of more harmonized research protocols to characterize drug self-aggregation were main motivations for this review. First, the key molecular and environmental parameters governing drug self-aggregation, the main drug families for which this phenomenon and the methods used for its characterization are described. Then, promising nanotechnology platforms investigated to prevent/control it towards a more efficient drug development process are briefly discussed.     

Performance comparison of texture feature analysis methods using PNN classifier for segmentation and classification of brain CT images

A computer software system is designed for the segmentation and classification of benign and malignant tumor slices in brain computed tomography images. In this paper, we present a texture analysis methods to find and select the texture features of the tumor region of each slice to be segmented by support vector machine (SVM). The images considered for this study belongs to 208 benign and malignant tumor slices. The features are extracted and selected using Student's t‐test. The reduced optimal features are used to model and train the probabilistic neural network (PNN) classifier and the classification accuracy is evaluated using k fold cross validation method. The segmentation results are also compared with the experienced radiologist ground truth. Quantitative analysis between ground truth and segmented tumor is presented in terms of quantitative measure of segmentation accuracy and the overlap similarity measure of Jaccard index. The proposed system provides some newly found texture features have important contribution in segmenting and classifying benign and malignant tumor slices efficiently and accurately. The experimental results show that the proposed hybrid texture feature analysis method using Probabilistic Neural Network (PNN) based classifier is able to achieve high segmentation and classification accuracy effectiveness as measured by Jaccard index, sensitivity, and specificity.