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.

Adaptive designs are an increasingly popular method for the adaptation of design aspects in clinical trials, such as the sample size. Scoring different adaptive designs helps to make an appropriate choice among the numerous existing adaptive design methods. Several scores have been proposed to evaluate adaptive designs. Moreover, it is possible to determine optimal two-stage adaptive designs with respect to a customized objective score by solving a constrained optimization problem. In this paper, we use the conditional performance score by Herrmann et al. (2020) as the optimization criterion to derive optimal adaptive two-stage designs. We investigate variations of the original performance score, for example, by assigning different weights to the score components and by incorporating prior assumptions on the effect size. We further investigate a setting where the optimization framework is extended by a global power constraint, and additional optimization of the critical value function next to the stage-two sample size is performed. Those evaluations with respect to the sample size curves and the resulting design's performance can contribute to facilitate the score's usage in practice.

Objectives In aortic valve replacement (AVR), the treatment strategy as well as the model and size of the implanted prosthesis have a major impact on the postoperative hemodynamics and thus on the clinical outcome. Preinterventional prediction of the hemodynamics could support the treatment decision. Therefore, we performed paired virtual treatment with transcatheter AVR (TAVI) and biological surgical AVR (SAVR) and compared hemodynamic outcomes using numerical simulations.

Methods 10 patients with severe aortic stenosis (AS) undergoing TAVI were virtually treated with both biological SAVR and TAVI to compare post-interventional hemodynamics using numerical simulations of peak-systolic flow. Virtual treatment procedure was done using an in-house developed tool based on position-based dynamics methodology, which was applied to the patient's anatomy including LVOT, aortic root and aorta. Geometries were automatically segmented from dynamic CT-scans and patient-specific flow rates were calculated by volumetric analysis of the left ventricle. Hemodynamics were assessed using the STAR CCM+ software by solving the RANS equations.

Results Virtual treatment with TAVI resulted in realistic hemodynamics comparable to echocardiographic measurements (median difference in transvalvular pressure gradient [TPG]: −0.33 mm Hg). Virtual TAVI and SAVR showed similar hemodynamic functions with a mean TPG with standard deviation of 8.45 ± 4.60 mm Hg in TAVI and 6.66 ± 3.79 mm Hg in SAVR (p = 0.03) while max. Wall shear stress being 12.6 ± 4.59 vs. 10.2 ± 4.42 Pa (p = 0.001).

Conclusions Using the presented method for virtual treatment of AS, we were able to reliably predict post-interventional hemodynamics. TAVI and SAVR show similar hemodynamics in a pairwise comparison.

Objectives

This study was undertaken to analyze the prevalence of spondyloarthritis (SpA) in patients with acute anterior uveitis (AAU), to identify parameters associated with the presence of SpA, and to evaluate the performance of referral algorithms for identifying patients with a high probability of having SpA.

Methods

Prospectively recruited consecutive patients with noninfectious AAU underwent structured rheumatologic assessment including magnetic resonance imaging of the sacroiliac joints, allowing a definitive diagnosis/exclusion of concomitant SpA. Fisher's exact test and Mann-Whitney U test were used to compare AAU patients with SpA and AAU patients without SpA. Furthermore, logistic regression analyses were performed. The predictive performance of SpA referral strategies was analyzed by calculating the sensitivity, specificity, positive predictive value, and positive and negative likelihood ratios.

Results

Among the 189 AAU patients evaluated, 106 (56%) were diagnosed as having SpA. The majority of SpA patients (93%) had predominantly axial SpA and 7 patients had peripheral SpA. In 74 patients (70%), the SpA diagnosis was established for the first time. In multivariable logistic regression analysis, psoriasis (odds ratio [OR] 12.5 [95% confidence interval (95% CI) 1.3–120.2]), HLA–B27 positivity (OR 6.3 [95% CI 2.4–16.4]), elevated C-reactive protein level (OR 4.8 [95% CI 1.9–12.4]), and male sex (OR 2.1 [95% CI 1.1–4.2]) were associated with the presence of SpA. None of the ophthalmologic parameters were found to be predictive of SpA. The Dublin Uveitis Evaluation Tool (DUET) showed higher specificity for SpA recognition than the Assessment of SpondyloArthritis international Society (ASAS) tool for the early referral of patients with a suspected diagnosis of axial SpA (specificity for SpA 42% versus 28%), whereas the sensitivity of the ASAS tool was slightly higher than the DUET tool (sensitivity for SpA 80% versus 78%). However, more than 20% of the AAU patients in this study who were diagnosed as having SpA would have been missed by both referral strategies.

Conclusion

Our study revealed a high prevalence of SpA in AAU patients overall, as well as a high prevalence of previously undiagnosed SpA in AAU patients. Therefore, we propose rheumatologic evaluation for all AAU patients with musculoskeletal symptoms.

Objective

Altered composition of the B cell compartment in the pathogenesis of systemic lupus erythematosus (SLE) is characterized by expanded plasmablast and IgD–CD27– double-negative B cell populations. Previous studies showed that double-negative B cells represent a heterogeneous subset, and further characterization is needed.

Methods

We analyzed 2 independent cohorts of healthy donors and SLE patients, using a combined approach of flow cytometry (for 16 healthy donors and 28 SLE patients) and mass cytometry (for 18 healthy donors and 24 SLE patients) and targeted RNA-Seq analysis. To compare B cell subset formation during the acute immune response versus that during autoimmune disease, we investigated healthy donors at various time points after receipt of the BNT162b2 messenger RNA COVID-19 vaccine and patients with acute SARS–CoV-2 infection, using flow cytometry.

Results

We found that IgD–CD27+ switched and atypical IgD–CD27– memory B cells, the levels of which were increased in SLE patients, represented heterogeneous populations composed of 3 different subsets each. CXCR5+CD19intermediate, CXCR5–CD19high, and CXCR5–CD19low populations were found in the switched memory and double-negative compartments, suggesting the relatedness of IgD–CD27+ and IgD–CD27– B cells. We characterized a hitherto unknown and antigen-experienced CXCR5–CD19low subset that was enhanced in SLE patients, had a plasmablast phenotype with diminished B cell receptor responsiveness, and expressed CD38, CD95, CD71, PRDM1, XBP1, and IRF4. Levels of CXCR5–CD19low subsets were increased and correlated with plasmablast frequencies in SLE patients and in healthy donors who received BNT162b2, suggesting their interrelationship and contribution to plasmacytosis. The detection of CXCR5–CD19low B cells among both CD27+ and CD27– populations calls into question the role of CD27 as a reliable marker of B cell differentiation.

Conclusion

Our data suggest that CXCR5–CD19low B cells are precursors of plasmablasts. Thus, cotargeting this subset may have therapeutic value in SLE.

Objective

To investigate the longitudinal association between radiographic sacroiliitis progression and treatment with tumor necrosis factor inhibitors (TNFi) in patients with early axial spondyloarthritis (SpA) in a long-term inception cohort.

Methods

We included patients from the German Spondyloarthritis Inception Cohort who underwent radiographic assessment of the sacroiliac joints at baseline and at least once more during the 10-year follow-up. Two central readers scored the radiographs according to the modified New York criteria for ankylosing spondylitis. The sacroiliac sum score was calculated as a mean of the scores determined by both readers. TNFi use was assessed according to exposure in the current and/or previous 2-year radiographic interval. The association between TNFi use and radiographic sacroiliitis progression was examined by longitudinal generalized estimating equation analysis with adjustment for potential confounders.

Results

In this long-term inception cohort, 10-year follow-up data on 737 radiographic intervals assessed in 301 patients with axial SpA (166 patients with nonradiographic axial SpA and 135 patients with radiographic axial SpA) were obtained. Having received ≥12 months of treatment with TNFi in the previous 2-year radiographic interval was associated with a significant decrease in the sacroiliitis sum score (β = –0.09 [95% confidence interval (95% CI) –0.18, –0.003]; analyses adjusted for age, sex, symptom duration, HLA–B27 status, Bath Ankylosing Spondylitis Disease Activity Index score, C-reactive protein, and nonsteroidal antiinflammatory drug intake). In contrast, among patients receiving TNFi in the current radiographic interval, there was no significant association with change in the sacroiliitis sum score (β = 0.05 [95% CI –0.05, 0.14]). This effect of having received ≥12 months of treatment with TNFi in the previous 2-year radiographic interval was stronger in patients with nonradiographic axial SpA as compared to patients with radiographic axial SpA (β = –0.16 [95% CI –0.28, –0.03] versus β = –0.04 [95% CI –0.15, 0.07]).

Conclusion

Treatment with TNFi was associated with the reduction in radiographic sacroiliitis progression in patients with axial SpA. This effect became evident between 2 and 4 years after treatment was initiated.

During the COVID-19 pandemic, physical distancing measures to prevent transmission of the virus have been implemented. The effect of physical distancing measures on loneliness especially for vulnerable groups remained unclear. Thus, we aimed to investigate loneliness in relation with depressive symptoms among lesbian, gay, bisexual, trans, inter, asexual, and queer (LGBT) persons compared with cis-heterosexual persons during the pandemic. We conducted an online survey during the first two waves of the COVID-19 pandemic in Germany. The survey contained self-categorizations regarding sexual orientation and gender identity, questions on loneliness, social contacts, depressive symptoms, and healthcare. Descriptive and regression analysis and propensity score matching across cohorts was conducted using R; 2641 participants took part in first wave of the survey and 4143 participants in the second wave. The proportion of lonely people was higher in the second wave compared with the first wave. LGBT persons were more lonely than cis-heterosexual persons. In both waves, being LGBT was associated with depressive symptoms, but loneliness mediated the effect, even when adjusting for social contacts. Psychologists and other practitioners should be aware that LGBT clients might have an increased risk for loneliness and depressive symptoms and of the potential burden of the pandemic measures.