Controlling Plasmonic Catalysis via Strong Coupling with Electromagnetic Resonators.

Plasmonic excitations decay within femtoseconds, leaving nonthermal (often referred to as "hot") charge carriers behind that can be injected into molecular structures to trigger chemical reactions that are otherwise out of reach─a process known as plasmonic catalysis. In this Letter, we demonstrate that strong coupling between resonator structures and plasmonic nanoparticles can be used to control the spectral overlap between the plasmonic excitation energy and the charge injection energy into nearby molecules. Our atomistic description couples real-time density-functional theory self-consistently to an electromagnetic resonator structure via the radiation-reaction potential.

Tailoring Hot-Carrier Distributions of Plasmonic Nanostructures through Surface Alloying.

Alloyed metal nanoparticles are a promising platform for plasmonically enabled hot-carrier generation, which can be used to drive photochemical reactions. Although the non-plasmonic component in these systems has been investigated for its potential to enhance catalytic activity, its capacity to affect the photochemical process favorably has been underexplored by comparison. Here, we study the impact of surface alloy species and concentration on hot-carrier generation in Ag nanoparticles.

Machine Learning for Polaritonic Chemistry: Accessing Chemical Kinetics.

Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive. This originates mostly from the fact that accurately predicting vibrational and reactive dynamics for soluted ensembles of realistic molecules is no small endeavor, and adding (collective) strong light-matter interaction does not simplify matters. Here, we establish a framework based on a combination of machine learning (ML) models, trained using density-functional theory calculations and molecular dynamics to accelerate such simulations.

Acidity Is an Excellent Marker of Infection in Hip and Knee Arthroplasty.

Background: The diagnosis of joint replacement infection is a difficult clinical challenge that often occurs when the implant cannot be salvaged. We hypothesize that the pH value of synovial fluid could be an important indicator of the inflammatory status of the joint. However, in the literature, there is a lack of data on the pH changes in hip and knee joint replacements and their relation to infection and implant failure.

Does poly-3-hydroxybutyrate biodegradation affect the quality of soil organic matter?

The search for eco-friendly substitutes for traditional plastics has led to the production of biodegradable bioplastics. However, concerns have been raised about the impact of bioplastic biodegradation on soil health. Despite these concerns, the potential negative consequences of bioplastics during various stages of biodegradation remain underexplored.

The Use of Electrochemical Methods to Determine the Effect of Nitrides of Alloying Elements on the Electrochemical Properties of Titanium β-Alloys.

Titanium beta alloys represent the new generation of materials for the manufacturing of joint implants. Their Young's modulus is lower and thus closer to the bone tissue compared to commonly used alloys. The surface tribological properties of these materials should be improved by ion implantation.

The Influence of Graded Amount of Potassium Permanganate on Corrosion of Hot-Dip Galvanized Steel in Simulated Concrete Pore Solutions.

This paper evaluates the amount of KMnO in simulated concrete pore solution (pH 12.8) on the corrosion behaviour of hot-dip galvanized steel (HDG). In the range of used MnO (10, 10, 10 mol·L), corrosion behaviour is examined with regard to hydrogen evolution and composition (protective barrier properties) of forming corrosion products.

Hot-Carrier Transfer across a Nanoparticle-Molecule Junction: The Importance of Orbital Hybridization and Level Alignment.

While direct hot-carrier transfer can increase photocatalytic activity, it is difficult to discern experimentally and competes with several other mechanisms. To shed light on these aspects, here, we model from first-principles hot-carrier generation across the interface between plasmonic nanoparticles and a CO molecule. The hot-electron transfer probability depends nonmonotonically on the nanoparticle-molecule distance and can be effective at long distances, even before a strong chemical bond can form; hot-hole transfer on the other hand is limited to shorter distances.

Influence of Poly-3-hydroxybutyrate Micro-Bioplastics and Polyethylene Terephthalate Microplastics on the Soil Organic Matter Structure and Soil Water Properties.

Adverse effects of microplastics on soil abiotic properties have been attributed to changes in the soil structure. Notably, however, the effects on the supramolecular structure of soil organic matter (SOM) have been overlooked, despite their key role in most soil properties. This work accordingly investigated the influence of plastic residues at various concentrations on the SOM supramolecular structure and soil water properties.

Modelling the role of membrane mechanics in cell adhesion on titanium oxide nanotubes.

Titanium surface treated with titanium oxide nanotubes was used in many studies to quantify the effect of surface topography on cell fate. However, the predicted optimal diameter of nanotubes considerably differs among studies. We propose a model that explains cell adhesion to a nanostructured surface by considering the deformation energy of cell protrusions into titanium nanotubes and the adhesion to the surface.

A Simple Method for Quantification of Polyhydroxybutyrate and Polylactic Acid Micro-Bioplastics in Soils by Evolved Gas Analysis.

Conventional plastics are being slowly replaced by biodegradable ones to prevent plastic pollution. However, in the natural environment, the biodegradation of plastics is usually slow or incomplete due to unfavorable conditions and leads to faster micro-bioplastic formation. Many analytical methods were developed to determine microplastics, but micro-bioplastics are still overlooked.

A Ru/RuO-Doped TiO Nanotubes as pH Sensors for Biomedical Applications: The Effect of the Amount and Oxidation of Deposited Ru on the Electrochemical Response.

In the field of orthopedic or dental implants, titanium and its alloys are most commonly used because of their excellent mechanical and corrosion properties and good biocompatibility. After implantation into the patient's body, there is a high risk of developing bacterial inflammation, which negatively affects the surrounding tissues and the implant itself. Early detection of inflammation could be done with a pH sensor.

Corrosion Properties of Mn-Based Alloys Obtained by Aluminothermic Reduction of Deep-Sea Nodules.

Deep-sea manganese nodules are polymetallic oxidic ores that can be found on a seabed. Aluminothermic reduction is one of the possibilities of manganese nodules processing. This process obtains the polymetallic alloy with a high content of Mn and a varying content of Al, depending on the ratio between aluminum and nodules.

Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling.

Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of properties of materials. In particular, the latter possibility has spurred the development of advanced theoretical techniques that can accurately capture both quantum optical and quantum chemical degrees of freedom. These methods are, however, computationally very demanding, which limits their application range.

Phase Composition of Al-Si Coating from the Initial State to the Hot-Stamped Condition.

The chemical and phase composition of the coating and the coating/substrate interface of an Al-Si-coated 22MnB5 hot stamped steel was investigated by means of SEM-EDS, XRD, micro-XRD and electron diffraction. Moreover, the surface profile was analyzed by XPS and roughness measurements. The XPS measurements showed that the thickness of the Si and Al oxide layers increased from 14 to 76 nm after die-quenching, and that the surface roughness increased as well as a result of volume changes caused by phase transformations.

Microstructural, mechanical, in vitro corrosion and biological characterization of an extruded Zn-0.8Mg-0.2Sr (wt%) as an absorbable material.

Zinc (Zn) alloys seem to be promising candidates for application in orthopaedic or cardiovascular medical implants. In this area, high standards are required regarding the biocompatibility as well as excellent mechanical and tailored degradation properties. In the presented study, a novel Zn-0.

Post-Processing Treatment Impact on Mechanical Properties of SLM Deposited Ti-6Al-4 V Porous Structure for Biomedical Application.

Additive manufacturing technologies allow producing a regular three-dimensional mesh of interconnected struts that form an open-cell porous structure. Regular porous structures have been used in the orthopedic industry due to outstanding bone anchoring. The aim of the study was to determine how the postprocessing influences the mechanical properties of porous structures made of titanium alloy CL 41TI ELI.

evaluation of a novel nanostructured Ti-36Nb-6Ta alloy for orthopedic applications.

To evaluate the impact of a nanostructured surface created on β-titanium alloy, Ti-36Nb-6Ta, on the growth and differentiation of human mesenchymal stem cells. The nanotubes, with average diameters 18, 36 and 46 nm, were prepared by anodic oxidation. Morphology, hydrophilicity and mechanical properties of the nanotube layers were characterized.

A critical review of the overlooked challenge of determining micro-bioplastics in soil.

Currently, non-biodegradable oil-based plastics are gradually being replaced by bio-based biodegradable plastics to prevent the formation of microplastics. For biodegradable materials to decompose completely, however, they require specific conditions that are rarely met in ecosystems. Paradoxically, this may lead to the fast production of microplastics from biodegradable materials, i.

Influence of surface pre-treatment with mechanical polishing, chemical, electrochemical and ion sputter etching on the surface properties, corrosion resistance and MG-63 cell colonization of commercially pure titanium.

The impact of four pre-treatment techniques on the surface morphology and chemistry, residual stress, mechanical properties, corrosion resistance in a physiological saline solution and cell colonization of commercially pure titanium is examined in detail. Mechanical polishing, electrochemical etching, chemical etching in Kroll's reagent, and ion sputter etching with argon ions were applied. Surface morphologies reflect the nature of surface layer removal.

Mesenchymal stem cell interaction with TiAlV alloy pre-exposed to simulated body fluid.

Titanium and its alloys are widely used for substitution of hard tissues, especially in orthopaedic and dental surgery. Despite the benefit of the use of titanium for such applications, there are still questions which must be sorted out. Surface properties are crucial for cell adhesion, proliferation and differentiation.

A qualitative method for testing the antimicrobial ability of osteosynthetic fixation material by simulating in vitro contamination by Staphylococcus aureus.

External fixators of serious fractures could be an attractive substrate on which microorganisms can accumulate. Therefore, this study aimed to develop a suitable method for enabling the simulation of a real situation when osteosynthetic fixation material is open for the potential threat of bacterial attack. Agar-based media represented human tissue, and the metallic pin characterized the screw in the fixation.

Different diameters of titanium dioxide nanotubes modulate Saos-2 osteoblast-like cell adhesion and osteogenic differentiation and nanomechanical properties of the surface.

The formation of nanostructures on titanium implant surfaces is a promising strategy to modulate cell adhesion and differentiation, which are crucial for future application in bone regeneration. The aim of this study was to investigate how the nanotube diameter and/or nanomechanical properties alter human osteoblast like cell (Saos-2) adhesion, growth and osteogenic differentiation . Nanotubes, with diameters ranging from 24 to 66 nm, were fabricated on a commercially pure titanium (cpTi) surface using anodic oxidation with selected end potentials of 10 V, 15 V and 20 V.