This study presents a framework for integrating traffic simulation with high-resolution air pollution modeling to design adaptive traffic management policies aimed at reducing urban air pollution. Building on prior work that establishes the coupling of the MATSim traffic model with the PALM-4U urban climate model, this second part focuses on implementing a feedback loop to inform traffic management decisions based on simulated air pollution concentration levels. The research explores how traffic volumes and atmospheric conditions, such as boundary layer dynamics, influence air quality throughout the day. In an artificial case study of Berlin, a time-based toll is introduced, aimed at mitigating concentration peaks in the morning hours. The toll scheme is tested in two simulation scenarios and evaluated regarding the effectiveness of reducing air pollution levels, particularly NO2 during the morning hours. The case study results serve to illustrate the framework’s capabilities and highlight the potential of integrating traffic and environmental models for adaptive policy design. The presented approach provides a model for responsive urban traffic management, effectively aligning transportation policies with environmental goals to improve air quality in urban settings.

Autosociobiography, a term coined by nobel-prize winner Annie Ernaux, is recognized as a productive literary phenomenon at the intersection of literary representation, social analysis and political commentary. The contributors to this volume trace the global entanglements of autosociobiographical texts, especially the historical, social and transcultural dynamics they discuss, represent and perform. They critically engage with the question of how to expand the scope of autosociobiography beyond its current corpus and class narratives to include other forms of social exclusion and stratification.

Keratan sulfate (KS) is a negatively charged carbohydrate linked to proteins. Several KS-bearing structural glycosaminoglycans participate to maintain the homeostasis of a functional extracellular matrix. Dysfunction of its biochemical composition and structure might therefore lead to pathological situations. For this reason, imaging of KS in tissues is an important diagnostic tool. Here, we describe the identification of the KS paratope derived from the ancestral anti-KS IgG mAb MZ15, as well as the engineering, functional recombinant expression in E. coli, and purification of an anti-KS single-chain variable fragment (ScFv). The ScFv enabled in vitro imaging of KS in cryosections of rat cornea by immunofluorescence microscopy comparable to the ancestral IgG MZ15.

The sparingly soluble technetium(I) complex [TcI(NO)Cl2(PPh3)2(CH3CN)] (1) slowly dissolves during reactions with 2,2′-dipyridyl ditelluride, (2-pyTe)2, 2,2′-dipyridyl diselenide, (2-pySe)2, or 2,2′-dipyridyl disulfide, (2-pyS)2, under formation of deeply colored solutions. Blue (Te compound) or red solids (Se compound) of the composition [{TcI(NO)Cl2(PPh3)2}2{µ2-(2-pyE)2}], E = Te (3), Se (4), precipitate from the reaction solutions upon addition of toluene. They represent the first technetium complexes with dichalcogenides. While [{TcI(NO)Cl2(PPh3)}2{µ2-(2-pyTe)2}] (3) is the sole product, a small amount of a second product, [TcII(NO)Cl2(PPh3)(2-pySe)] (5), was obtained from the respective mother solution of the reaction with the diselenide. From the corresponding reaction between 1 and (2-pyS)2, the technetium(II) compound, [TcII(NO)Cl2(PPh3)(2-pyS)] (6), could be isolated exclusively. The products were studied by single-crystal X-ray diffraction and spectroscopic methods including 99Tc NMR for the technetium(I) products and EPR spectroscopy for the Tc(II) complexes. The experimental results are accompanied by DFT considerations, which help to rationalize the experimental observations.

Fracture healing in dogs is a complex process influenced by factors such as age, weight, fracture type, and underlying conditions. Among fractures, complex diaphyseal comminuted fractures stand out due to their susceptibility to complications like delayed union or nonunion. Despite the recognized complexities, veterinary-specific data on their incidence, complications, and effective treatment strategies remain surprisingly scarce. This retrospective study analyzed 99 comminuted fractures among 542 long bone fractures treated at the Small Animal Clinic of the Freie Universität Berlin (2007–2014). The femur (n = 42) was most affected, followed by the tibia/fibula (n = 29), radius/ulna (n = 24), and humerus (n = 4). Plates (n = 81) and intramedullary pins or external fixators (n = 16) were used for osteosynthesis. Healing occurred without complications in 72%, while 28% experienced issues such as implant failure or delayed union. Open fractures, high-energy trauma, and >3 fragments were associated with higher complication rates (p < 0.05). Fractures treated with plates healed slower (p = 0.016), and implants were removed later compared to other methods (p = 0.049). This study highlights the challenges of managing complex fractures and emphasizes the need for tailored surgical approaches. It provides new insights into their treatment and outcomes, paving the way for future research to establish standardized veterinary protocols.

Although magnesium and its alloys are promising candidates as biodegradable implant materials, the tendency for localised corrosion mechanism in physiological environment limit their biomedical application. Electropolishing is an attractive strategy for improving the corrosion behaviour of metals, but it is still largely unexplored in magnesium materials. In this study, the characterisation of electropolished surfaces of AM50 and pure magnesium was performed, focussing on their in vitro degradation behaviour in cell medium. Corrosion rates were evaluated using potentiodynamic polarisation. The surface morphology before and after the onset of corrosion was investigated by scanning electron microscopy and confocal laser scanning microscopy. The presented electropolishing process led to improved surface performances, observable by significantly lower corrosion rates (0.08 mm·year−1 in Dulbecco's modified Eagle's medium), lower arithmetical mean height (0.05 µm), lower water contact angle (25–35°) and lower micro hardness (35–50 HV 0.1) compared to mechanically and chemically treated surfaces. MgO/Mg(OH)2 could be detected on electropolished surfaces. The localised corrosion mode could be reduced, but not entirely prevented. Electropolishing shows great potential as post-treatment of magnesium-based components, but detailed tests of the long-term corrosion behaviour are an important area of future research.

We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed of non-orthogonal Kohn–Sham-like orbitals for the evaluation of kinetic energy expectation values and the expansion of the inverse molecular-orbital overlap matrix into a Neumann series. By applying these techniques, we derived and implemented a series of orbital-dependent approximations for the non-additive kinetic energy, which are employed self-consistently. Our proof-of-principle computations demonstrated quantitatively correct results for potential energy curves and electron densities and hinted on the applicability of the introduced empirical parameters to different types of molecular systems and intermolecular interactions. Therefore, we conclude that the presented study is an important step toward constructing accurate and efficient orbital-dependent approximations for the non-additive kinetic energy applicable to large molecular systems.

Various efforts have been made to develop antibacterial biomaterials capable of also sustaining bone remodulation to be used as bone substitutes and reduce patient infection rates and related costs. In this work, beta-tricalcium phosphate (β-TCP) was chosen due to its known biocompatibility and use as a bone substitute. Metal dopants were incorporated into the crystal structure of the β-TCP, and disks were produced from this material. Magnesium and strontium, as well as copper and silver, were chosen as dopants to improve the osteogenic and antibacterial properties, respectively. The surface of the β-TCP samples was further modified using a femtosecond laser system. Grid and line patterns were produced on the plates’ surface via laser ablation, creating grooves with depths lower than 20 μm and widths between 20 and 40 μm. Raman and FTIR analysis confirmed that laser ablation did not result in the degradation or phase change of the materials, making it suitable for surface patterning. Laser ablation resulted in increased hydrophilicity of the materials, as the control samples (non-ablated samples) have WCA values ranging from 70° to 93° and become, upon laser ablation, superwicking surfaces. Confocal measurements show an increase in specific surface area of 50% to 200% compared to the control. Overall, the results indicate the potential of laser ablation to improve the surface characteristics of β-TCP, which may lead to an improvement in the antibacterial and osteogenic properties of the produced materials.

Vertically-aligned carbon nanotube (VaCNT) membranes allow water to conduct rapidly at low pressures and open up the possibility for water purification and desalination, although the ultralow viscous stress in hydrophobic and low-tortuosity nanopores prevents surface interactions with contaminants. In this experimental investigation, steroid hormone micropollutant adsorption by VaCNT membranes is quantified and explained via the interplay of the hydrodynamic drag and friction forces acting on the hormone, and the adhesive and repulsive forces between the hormone and the inner carbon nanotube wall. It is concluded that a drag force above 2.2 × 10−3 pN overcomes the friction force resulting in insignificant adsorption, whereas lowering the drag force from 2.2 × 10−3 to 4.3 × 10−4 pN increases the adsorbed mass of hormones from zero to 0.4 ng cm−2. At a low drag force of 1.6 × 10−3 pN, the adsorbed mass of four hormones is correlated with the hormone−wall adhesive (van der Waals) force. These findings explain micropollutant adsorption in nanopores via the forces acting on the micropollutant along and perpendicular to the flow, which can be exploited for selectivity.

The field of bone tissue engineering is steadily being improved by novel experimental approaches. Nevertheless, microbial adhesion after scaffold implantation remains a limitation that could lead to the impairment of the regeneration process, or scaffold rejection. The present study introduces a methodology that employs laser-based strategies for the development of antimicrobial interfaces on tricalcium phosphate–hydroxyapatite (TCP-HA) scaffolds. The outer surfaces of the ceramic scaffolds with inner porosity were structured using a femtosecond laser (λ = 800 nm; τ = 70 fs) for developing micropatterns and altering local surface roughness. The pulsed laser deposition of ZnO was used for the subsequent functionalization of both laser-structured and unmodified surfaces. The impact of the fs irradiation was investigated by Raman spectroscopy and X-ray diffraction. The effects of the ZnO-layered ceramic surfaces on initial bacterial adherence were assessed by culturing Staphylococcus aureus on both functionalized and non-functionalized scaffolds. Bacterial metabolic activity and morphology were monitored via the Resazurin assay and microscopic approaches. The presence of ZnO evidently decreased the metabolic activity of bacteria and led to impaired cell morphology. The results from this study have led to the conclusion that the combination of fs laser-structured surface topography and ZnO could yield a potential antimicrobial interface for implants in bone tissue engineering.

Lead halide perovskites have attracted much attention from the scientific community in recent years due to their attractive properties and their proven potential in many applications. Nevertheless, their stability and lead toxicity have remained a problem. Herein, the potential of manganese as a divalent dopant to offer better stability and replace a fraction of the toxic lead ions is investigated. Moreover, the reverse microemulsion method is used to obtain tunability in emission and bandgap by doping cesium lead bromide. Furthermore, cubic cesium lead bromide particles are managed to obtain at room temperature as a result of doping.

The search for sustainable energy solutions has led to extensive research on new electrocatalysts that can convert electrical energy into chemical energy and back. Tantalum nitrides stand out as an intriguing class of materials, showcasing exceptional properties such as high melting points, remarkable mechanical strength, and notable resistance to corrosion. These attributes position tantalum nitrides (Ta-N) and allied phases (Ta-N-X) as compelling candidates for diverse applications, notably in electrocatalysis. While traditionally studied for their photocatalytic and photoelectrocatalytic properties, this review ventures into largely uncharted territory, illuminating the untapped potential of tantalum nitrides as electrocatalysts. Electrocatalysis assumes a pivotal role in numerous renewable energy technologies, including fuel cells and water electrolysis, which demand materials adept at catalyzing reactions efficiently. The distinctive characteristics of Ta-N phases, particularly their electrical conductivity, chemical stability, and expansive surface area, mark them as promising contenders in this arena. This comprehensive review article aims to unveil the electrocatalytic prowess of Ta-N phases, examining their catalytic performance concerning the Hydrogen Evolution Reaction (HER), Oxygen Evolution Reaction (OER), and Oxygen Reduction Reaction (ORR). Delving into recent advancements over the past five years, the article scrutinizes strategies employed to counter surface oxidation—a prevailing degradation issue that hampers activity in Ta-N phases. It also describes methodologies to mitigate photocorrosion observed during photocatalytic/photoelectrochemical (PEC) water splitting of Ta-N phases, offering potential blueprints for efficient design of their electrocatalytic counterparts. The exploration encompasses a thorough investigation into the role of various correlative spectroscopy techniques, including X-ray Photoelectron Spectroscopy (XPS), Raman spectroscopy, and Fourier-Transform Infrared Spectroscopy (FTIR), in unraveling the involvement of oxygen-related species within Ta-N systems. Furthermore, the presence of oxygen necessitates an intricate comprehension of the thermodynamic stability of different Ta-N phases, both in the presence and absence of oxygen. This article underscores the importance of an exhaustive phase diagram analysis for the Ta-N system in the context of water splitting, critically evaluating thermochemical and constitutional data. Despite extensive research efforts, the phase diagram of the Ta-N system remains incomplete, restraining our understanding of phase stability and overall performance. This account aims to enhance understanding of Ta-N phases and provide insights that support cohesive electrocatalyst design, focusing on the key issue of long-term stability in electrocatalysis.

Gas marbles are a new family of particle-stabilized soft dispersed system with a soap bubble-like air-in-water-in-air structure. Herein, stimulus-responsive character is successfully introduced to a gas marble system for the first time using polymer particles carrying a poly(tertiary amine methacrylate) (pKa ≈7) steric stabilizer on their surfaces as a particulate stabilizer. The gas marbles exhibited long-term stability when transferred onto the planar surface of liquid water, provided that the solution pH of the subphase is basic and neutral. In contrast, the use of acidic solutions led to immediate disintegration of the gas marbles, resulting in release of the inner gas. The critical minimum solution pH required for long-term gas marble stability correlates closely with the known pKa value for the poly(tertiary amine methacrylate) stabilizer. It also demonstrates amphibious motions of the gas marbles.

Long-term electrochemical cycle life of the LiNi0.5Mn1.5O4 (LNMO) cathode with liquid electrolytes (LEs) and the inadequate knowledge of the cell failure mechanism are the eloquent Achilles’ heel to practical applications despite their large promise to lower the cost of lithium-ion batteries (LIBs). Herein, a strategy for engineering the cathode–LE interface is presented to enhance the cycle life of LIBs. The direct contact between cathode-active particles and LE is controlled by encasing sol–gel-synthesized truncated octahedron-shaped LNMO particles by an ion–electron-conductive (ambipolar) hybrid ceramic–polymer electrolyte (IECHP) via a simple slot-die coating. The IECHP-coated LNMO cathode demonstrated negligible capacity fading in 250 cycles and a capacity retention of ∼90% after 1000 charge–discharge cycles, significantly exceeding that of the uncoated LNMO cathode (a capacity retention of ∼57% after 980 cycles) in 1 M LiPF6 in EC:DMC at 1 C rate. The difference in stability between the two types of cathodes after cycling is examined by focused ion beam scanning electron microscopy and time-of-flight secondary ion mass spectrometry. These studies revealed that the pristine LNMO produces an inactive layer on the cathode surface, reducing ionic transport between the cathode and the electrolyte and increasing the interface resistance. The IECHP coating successfully overcomes these limitations. Therefore, the present work underlines the adaptability of IECHP-coated LNMO as a high-voltage cathode material in a 1 M LiPF6 electrolyte for prolonged use. The proposed strategy is simple and affordable for commercial applications.

The growing concern over implant-associated infections motivates the development of novel antibacterial coatings for medical devices as an effective strategy in reducing the occurrence of IAI. Polyelectrolyte multilayers (PEMs) incorporating metal/metal oxide nanoparticles (NPs) as antimicrobial components receive special attention for their ability to coat diverse surface types and low potential to induce antimicrobial resistance. This study investigates the potential of poly(amino acid) multilayers consisting of poly-L-lysine and poly-L-glutamic acid with embedded silver (PEMAg) or copper oxide (PEMCuO) deposited on titanium surfaces for the coating of medical surfaces. The results of the quartz crystal microbalance with dissipation, scanning electron microscopy, and electron dispersive spectroscopy show that both types of NPs are successfully incorporated in the PEM and deposited over the entire coated surface. The incorporation of NPs in PEM prevents the burst release. The viability of MG-63 cells is higher than 70% on all investigated PEMs, confirming their biocompatibility. PEMCuO shows better biofilm prevention compared to PEMAg, entirely preventing Pseudomonas aeruginosa biofilm and allowing the formation of only weak Staphylococcus aureus biofilm. The results obtained confirm the high potential of poly(amino acids) multilayers with embedded metal/metal oxide NPs as biocompatible antimicrobial coatings for medical devices.

Due to the military coups of recent years, the Sahel region has received some considerable attention in international media and political debates. However, we still know little about the ongoing disputes in the region. This article provides an overview of the current crisis in Burkina Faso, the Sahel state where the number of fatalities and internally displaced persons is by far the highest. The conflict is placed in the context of the country’s recent political history and in the debate surrounding the “coup belt”.

Die unverbrüchliche Parteinahme für Israel hat die Glaubwürdigkeit Deutschlands im Globalen Süden nachhaltig beschädigt. Längst sind Gaza-Krieg und die deutsche Staatsräson dort zu Symbolen für westliche Doppelmoral avanciert. Die offensichtliche Dissonanz zwischen dem deutschen Bekenntnis zu einer wertebasierten Außenpolitik und der Unterstützung Israels trotz schwerer Kriegsverbrechen trägt zur Erosion der regelbasierten Weltordnung bei. Um diesem Trend entgegenzuwirken, bedarf die deutsche Außenpolitik einer grundlegenden Neuausrichtung auf ein prinzipielles Bekenntnis zum Völkerrecht.

Microplastic pollution in terrestrial ecosystems threatens to destabilize large soil carbon stocks that help to mitigate climate change. Carbon-based substrates can release from microplastics and contribute to terrestrial carbon pools, but how these emerging organic compounds influence carbon mineralization and sequestration remains unknown. Here, microcosm experiments are conducted to determine the bioavailability of microplastic-derived dissolved organic matter (MP-DOM) in soils and its contribution to mineral-associated carbon pool. The underlying mechanisms are identified by estimating its spectroscopic and molecular signatures and comparing its sorption properties on model minerals with natural organic matter (NOM). The results show that MP-DOM leads to 21–576% higher CO2 emissions and 34–83% lower mineral-associated organic carbon in soils than NOM, depending on the type of plastic polymer. DOM from biodegradable microplastics induces higher CO2 emissions than conventional microplastics. It is found that MP-DOM is 7.96 times more labile than NOM, making it more accessible for microbial utilization. The lower degree of humification, fewer polar functional groups, and higher H/C ratios in MP-DOM also led to 3.96 times less sorption with mineral particles. The findings provide insights into the effects of microplastics on soil carbon storage and highlight their consequences for wider terrestrial carbon cycling and climate warming.

Molecular dynamics (MD) simulations have become an essential tool for studying the dynamics of biological systems and exploring protein–ligand interactions. OpenMM is a modern, open-source software toolkit designed for MD simulations. Until now, it has lacked a module dedicated to building receptor–ligand systems, which is highly useful for investigating protein–ligand interactions for drug discovery. We therefore introduce OpenMMDL, an open-source toolkit that enables the preparation and simulation of protein–ligand complexes in OpenMM, along with the subsequent analysis of protein–ligand interactions. OpenMMDL consists of three main components: OpenMMDL Setup, a graphical user interface based on Python Flask to prepare protein and simulation settings, OpenMMDL Simulation to perform MD simulations with consecutive trajectory postprocessing, and finally OpenMMDL Analysis to analyze simulation results with respect to ligand binding. OpenMMDL is not only a versatile tool for analyzing protein–ligand interactions and generating ligand binding modes throughout simulations; it also tracks and clusters water molecules, particularly those exhibiting minimal displacement from their previous coordinates, providing insights into solvent dynamics. We applied OpenMMDL to study ligand–receptor interactions across diverse biological systems, including LDN-193189 and LDN-212854 with ALK2 (kinases), nifedipine and amlodipine in Cav1.1 (ion channels), LSD in 5-HT2B (G-protein coupled receptors), letrozole in CYP19A1 (cytochrome P450 oxygenases), flavin mononucleotide binding the FMN-riboswitch (RNAs), ligand C08 bound to TLR8 (toll-like receptor), and PZM21 bound to MOR (opioid receptor), highlighting distinct functionalities of OpenMMDL. OpenMMDL is publicly available at https://github.com/wolberlab/OpenMMDL.

This article assesses whether women face the same challenges in the European Commission as men by examining the career paths to top political and administrative positions. Drawing on a unique dataset, it investigates whether and, if so, how and when, women are disadvantaged. First, we analyze the characteristics and experience of all Commissioners and Directors General (2004–2019) to delineate the career paths to the top positions in the organization. Secondly, we compare pathways to find that men outnumber women in all pathways. For Commissioners women are very significantly under-represented in one of three pathways and for Directors General in two of three pathways. We identify how women are disadvantaged and the extent to which the results support arguments in the comparativist literature on gender.