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Background: Individuals with anterior cruciate ligament (ACL) injury often exhibit visual cognitive deficits during tasks that require neuromuscular control. In this paper, we present evidence of increased visual reliance after ACL injury during a range of clinically applicable cognitive-motor tasks. This information is essential to strengthen the scientific rationale for therapeutic interventions that target maladaptive neuroplasticity and may translate to improved return-to-sport (RTS) outcomes following ACL injury., Objectives: The objectives of this study are (1) to determine if visual reliance is present during common rehabilitation-based assessments after ACL deficiency (ACL-D) or ACL reconstruction (ACL-R), (2) to describe how visual reliance is assessed during such tasks, and (3) to provide information to help clinicians and patients understand the clinical relevance of cognitive load in the assessment and intervention of visual reliance., Design: Scoping review., Literature Search: We searched MEDLINE, EMBASE, CINAHL, SCOPUS, and PEDro databases., Study Selection Criteria: Only primary studies published in English were included without time limitations., Data Synthesis: Qualitative analysis of the included studies was performed., Results: We synthesized the results of 23 studies. A total of 7 studies (31%) included patients with ACL-D, 15 studies (65%) included patients with ACL-R, and 1 study (4%) included patients with ACL-D and ACL-R. Evaluation of tasks, task evaluation setting, visual conditions, outcome measures, and presence of increased visual reliance were identified. Most studies investigating patients with ACL-D, contrary to those with ACL-R, exhibited worse postural stability during eyes-closed conditions than uninjured controls. Complete visual obstruction (i.e., eyes closed or blindfolded) was the most frequently reported method to disrupt vision (52%). The addition of a visual-cognitive challenge resulted in significantly worse postural stability in patients with ACL-R compared with controls., Conclusions: Visual reliance was most commonly assessed during single leg stance with complete visual obstruction. The majority of studies on patients with ACL-D indicate that they exhibit poorer postural stability in eyes-closed conditions when compared with uninjured controls, which suggests increased visual reliance. There is less evidence of visual reliance in patients who have undergone ACL-R compared with those with ACL-D. Adding a visual-cognitive load was found to be more effective in inducing postural stability deficits in individuals who have undergone ACL-R., Level of Evidence: IV. The protocol was a priori registered on Open Science Framework ( https://osf.io/p4j95/ )., (© 2024. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

The phase behavior of complex biomolecular solutions may explain different cellular processes, including the organization of cells by membraneless organelles. The early stages of phase separation are crucial to understanding the underlying mechanism and identifying biomolecules that trigger or drive the transition. Here, we analyze the early events of liquid-liquid phase separation (LLPS) of FUS by multiangle time-resolved static and dynamic light scattering. LLPS was triggered by TEV-catalyzed cleavage of the MBP-tag from FUS-MBP. The light scattering measurements revealed the existence of at least two fractions of FUS-MBP aggregates already prior to the onset of LLPS. The orders of magnitude of the aggregate size in these two fractions are 10 and 100 nm, respectively. LLPS started after an induction period, which depended on the concentration of FUS-MBP. The data from time-dependent light scattering revealed a coalescence of droplets also denoted as a step growth process. A step growth process instead of nucleation and growth via monomer addition suggests that LLPS takes place within the spinodal rather than between the binodal and the spinodal.

Identifying a reasonably small Hilbert space that completely describes an unknown quantum state is crucial for efficient quantum information processing. We introduce a general dimension-certification protocol for both discrete and continuous variables that is fully evidence based, relying solely on the experimental data collected and no other unjustified assumptions whatsoever. Using the Bayesian concept of relative belief, we take the effective dimension of the state as the smallest one such that the posterior probability is larger than the prior, as dictated by the data. The posterior probabilities associated with the relative-belief ratios measure the strength of the evidence provide by these ratios so that we can assess whether there is weak or strong evidence in favor or against a particular dimension. Using experimental data from spectral-temporal and polarimetry measurements, we demonstrate how to correctly assign Bayesian plausible error bars for the obtained effective dimensions. This makes relative belief a conservative and easy-to-use model-selection method for any experiment.

Most properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution. Especially for 2D materials, the atomic electric fields influence the optoelectronic properties. In this study, the atomic-scale electric field and charge density distribution of WSe 2 bi- and trilayers are revealed using an emerging microscopy technique, differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). For pristine material, a higher positive charge density located at the selenium atomic columns compared to the tungsten atomic columns is obtained and tentatively explained by a coherent scattering effect. Furthermore, the change in the electric field distribution induced by a missing selenium atomic column is investigated. A characteristic electric field distribution in the vicinity of the defect with locally reduced magnitudes compared to the pristine lattice is observed. This effect is accompanied by a considerable inward relaxation of the surrounding lattice, which according to first principles DFT calculation is fully compatible with a missing column of Se atoms. This shows that DPC imaging, as an electric field sensitive technique, provides additional and remarkable information to the otherwise only structural analysis obtained with conventional STEM imaging., (© 2024 The Authors. Small published by Wiley‐VCH GmbH.)

MAX phase is a family of ceramic compounds, typically known for their metallic properties. However, we show here that some of them may be narrow bandgap semiconductors. Using a series of first-principles calculations, we have investigated the electronic structures of 861 dynamically stable MAX phases. Notably, Sc 2 SC, Y 2 SC, Y 2 SeC, Sc 3 AuC 2 , and Y 3 AuC 2 have been identified as semiconductors with band gaps ranging from 0.2 to 0.5 eV. Furthermore, we have assessed the thermodynamic stability of these systems by generating ternary phase diagrams utilizing evolutionary algorithm techniques. Their dynamic stabilities are confirmed by phonon calculations. Additionally, we have explored the potential thermoelectric efficiencies of these materials by combining Boltzmann transport theory with first-principles calculations. The relaxation times are estimated using scattering theory. The zT coefficients for the aforementioned systems fall within the range of 0.5 to 2.5 at temperatures spanning from 300 to 700 K, indicating their suitability for high-temperature thermoelectric applications.

In basketball, an attacking player often plays a pass to one side while looking to the other side. This head fake provokes a conflict in the observing opponent, as the processing of the head orientation interferes with the processing of the pass direction. Accordingly, responses to passes with head fakes are slower and result in more errors than responses to passes without head fakes (head-fake effect). The head-fake effect and structurally similar interference effects (e.g., Stroop effect) are modulated by the frequency of conflicting trials. Previous studies mostly applied a block-wise manipulation of proportion congruency. However, in basketball (and also in other team sports), where different individual opponents can be encountered, it might be important to take the individual frequency (e.g., 20% vs. 80%) of these opponents into account. Therefore, the present study investigates the possibility to quickly (i.e., on a trial-by-trial basis) reconfigure the response behavior to different proportions of incongruent trials, which are contingent on different basketball players. Results point out that participants indeed adapted to the fake-frequency of different basketball players, which could be the result of strategic adaptation processes. Multi-level analyses, however, indicate that a substantial portion of the player-specific adaptation to fake frequencies is accounted by episodic retrieval processes, suggesting that item-specific proportion congruency effects can be explained in terms of stimulus-response binding and retrieval: The head orientation (e.g., to the right) of a current stimulus retrieves the last episode with the same head orientation including the response that was part of this last episode. Thus, from a theoretical perspective, an attacking player would provoke the strongest detrimental effect on an opponent if s/he repeats the same head movement but changes the direction of the pass. Whether it is at all possible to strategically apply this recommendation in practice needs still to be answered., (© 2024. The Author(s).)

We have applied path-integral molecular dynamics simulations to investigate the impact of nuclear quantum effects on the vibrational dynamics of water molecules at the water-air interface. The instantaneous fluctuations in the frequencies of the O-H stretch modes are calculated using the wavelet method of time series analysis, while the time scales of vibrational spectral diffusion are determined from frequency-time correlation functions and joint probability distributions. We find that the inclusion of nuclear quantum effects leads not only to a redshift in the vibrational frequency distribution by about 120 cm-1 for both the bulk and interfacial water molecules but also to an acceleration of the vibrational dynamics at the water-air interface by as much as 35%. In addition, a blueshift of about 45 cm-1 is seen in the vibrational frequency distribution of interfacial water molecules compared to that of the bulk. Furthermore, the dynamics of water molecules beyond the topmost molecular layer was found to be rather similar to that of bulk water., (© 2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).)

The present study proves the construct validity of the German versions of the Feeling Scale (FS) and the Felt Arousal Scale (FAS) for measuring the affective responses (affective valence and arousal) for a moderate-intensity jogging (JG) exercise. In previous studies, both scales were validated for a high-intensity bicycle ergometer exercise and for relaxation techniques. In the present study, 194 participants performed the JG exercise for 45 min and completed the FS and the FAS, as well as the Self-Assessment Manikin (SAM), for a self-other comparison in a pre-test-intervention-post-test design. The results of the correlation analyses replicated the previous findings for the high-intensity bicycle ergometer exercise and the relaxation techniques, revealing significant positive correlations for the valence dimension between the FS and the SAM-Pleasure subscale ( r = 0.50) and for the arousal dimension between the FAS and the SAM-Arousal subscale ( r = 0.16). These findings suggest that the German versions of the FS and the FAS are also suitable for exercises of moderate intensity.

It is now generally accepted that macromolecules do not act in isolation but "live" in a crowded environment, that is, an environment populated by numerous different molecules. The field of molecular crowding has its origins in the far 80s but became accepted only by the end of the 90s. In the present issue, we discuss various aspects that are influenced by crowding and need to consider its effects. This Review is meant as an introduction to the theme and an analysis of the evolution of the crowding concept through time from colloidal and polymer physics to a more biological perspective. We introduce themes that will be more thoroughly treated in other Reviews of the present issue. In our intentions, each Review may stand by itself, but the complete collection has the aspiration to provide different but complementary perspectives to propose a more holistic view of molecular crowding.

Objective: The aim of this analysis was to investigate whether habitual intake of total dairy (TD) or different dairy types (liquid, solid, fermented, non-fermented, low-fat, high-fat, low-sugar and high-sugar dairy) during adolescence is associated with biomarkers of low-grade inflammation as well as risk factors of type 2 diabetes in young adulthood., Design: Multivariable linear regression analyses were used to investigate prospective associations between estimated TD intake as well as intake of different types of dairy and a pro-inflammatory score, based on high-sensitivity C-reactive protein, IL-6, IL-18, leptin and adiponectin, and insulin resistance assessed as Homeostasis Model Assessment Insulin Resistance in an open-cohort study., Setting: Dortmund, Germany., Participants: Data from participants ( n 375) of the DOrtmund Nutritional and Anthropometric Longitudinally Designed (DONALD) study were included, for whom at least two 3-d weighed dietary records during adolescence (median age: 11 years) and one blood sample in young adulthood (>18 years) were available., Results: There was no statistically significant association between TD intake or intake of any dairy type and the pro-inflammatory score (all P > 0·05). TD intake as well as each dairy type intake and insulin resistance also showed no association (all P > 0·05)., Conclusions: The habitual intake of dairy or individual types of dairy during adolescence does not seem to have a major impact on low-grade systemic inflammation and insulin resistance in the long term. There was no indication regarding a restriction of dairy intake for healthy children and adolescents in terms of diabetes risk reduction.

Disordered molecular systems, such as amorphous catalysts, organic thin films, electrolyte solutions, and water, are at the cutting edge of computational exploration at present. Traditional simulations of such systems at length scales relevant to experiments in practice require a compromise between model accuracy and quality of sampling. To address this problem, we have developed an approach based on generative machine learning called the Morphological Autoregressive Protocol (MAP), which provides computational access to mesoscale disordered molecular configurations at linear cost at generation for materials in which structural correlations decay sufficiently rapidly. The algorithm is implemented using an augmented PixelCNN deep learning architecture that, as we previously demonstrated, produces excellent results in 2 dimensions (2D) for mono-elemental molecular systems. Here, we extend our implementation to multi-elemental 3D and demonstrate performance using water as our test system in two scenarios: (1) liquid water and (2) samples conditioned on the presence of pre-selected motifs. We trained the model on small-scale samples of liquid water produced using path-integral molecular dynamics simulations, including nuclear quantum effects under ambient conditions. MAP-generated water configurations are shown to accurately reproduce the properties of the training set and to produce stable trajectories when used as initial conditions in quantum dynamics simulations. We expect our approach to perform equally well on other disordered molecular systems in which structural correlations decay sufficiently fast while offering unique advantages in situations when the disorder is quenched rather than equilibrated., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Animal-assisted pedagogy is well known in classroom practice, but scientific evidence of its impact on teaching and learning conditions is still lacking. At the same time, the biggest challenge in education systems worldwide is the social inclusion of students. In a pre-post design, 30 heterogeneous students (16 f/14 m) from four different school classes (grades 5-8) of two secondary schools and one grammar school were interviewed (in a problem-centered interview) about their social inclusion and their social climate in class before and after being taught selected subjects with a school dog for one school term. At the second measurement point, participants were also asked about their perception of animal-assisted pedagogy. The qualitative data analysis (Kuckartz) showed that the presence of a dog leads to an improved social climate, more social integration and to a change in social roles; therefore, we discussed our findings in the context of role theory (Krappmann). In addition, we found that the mutual perception of the other students and the teacher changes to a more positive and friendlier image. Through animal-assisted pedagogy, a new social role is added to the classroom, where caring and bonding are prioritized. Social interaction and norms are influenced and stereotypical and individual roles can be changed. Therefore, animal-assisted pedagogy can be key to promoting social inclusion in the school environment.

The present study investigates participants' performance in two different mental body-rotation tasks (MBRTs) under conditions in which dynamic stability is challenged in two different balancing conditions: active balance control (Experiment 1), where participants actively maneuver, and re-active balance control (Experiment 2), where participants react to an external perturbation. The two MBRTs induced either an object-based spatial transformation (based on a same-different judgment) or an egocentric transformation (based on a left-right judgment). In Experiment 1, 48 participants were tested while standing on an even ground (low balancing requirements) or on a balance board (high balancing requirements). In Experiment 2, 32 participants performed while either standing still on a vibration plate or with the vibration plate moving in a low (20 Hz) or high (180 Hz) frequency. In both experiments, the results for response time and response error revealed effects of rotation angle and type of task. An effect of balancing condition was only observed for response error in Experiment 1. More precisely, response times and response errors increased for higher rotation angles. Also, performance was better for egocentric than for object-based spatial transformations. However, the different challenges to dynamic stability in Experiments 1 and 2 did not influence performance in the two MBRTs (except for response errors in Experiment 1) nor in a control condition (Experiment 1) without mental rotation., Competing Interests: Declaration of Competing Interest None. The authors have no conflicts of interest to disclose., (Copyright © 2023 The Authors. Published by Elsevier B.V. All rights reserved.)

Graphitic carbon nitride is widely studied in organic photoredox catalysis. Reductive quenching of carbon nitride excited state is postulated in many photocatalytic transformations. However, the reactivity of this species in the turn over step is less explored. In this work, we investigate electron and proton transfer from carbon nitride that is photocharged to a various extent, while the negative charge is compensated either by protons or ammonium cations. Strong stabilization of electrons by ammonium cations makes proton-coupled electron transfer uphill, and affords air-stable persistent carbon nitride radicals. In carbon nitrides, which are photocharged to a smaller extent, protons do not stabilize electrons, which results in spontaneous charge transfer to oxidants. Facile proton-coupled electron transfer is a key step in the photocatalytic oxidative-reductive cascade - tetramerization of benzylic amines. The feasibility of proton-coupled electron transfer is modulated by adjusting the extent of carbon nitride photocharging, type of counterion and temperature., (© 2023. The Author(s).)

To provide detailed epidemiological data on situations with a propensity of head injuries due to heading in professional football. In a prospective cohort study including the four highest professional football leagues in Germany, headers carried out in 1244 official matches and critical situations (CI) with a potential risk for injuries over one season were assessed by video analysis and a standardised video protocol. Results: 154,766 headers in 111,960 match minutes were recorded (1.4 headings/min). Video analysis showed a mean of 6.2 headers per field player and match (SD: 2,9; min: 0; max: 19) in the entire study population with a peak in the third league (7.1 per player and match). Headers were predominantly carried out with the forehead (78.5%), and nearly two-thirds occurred during defence (64.3%). 49.9% of all headers occurred during tackling, of which 78.3% involved body contact with an opponent. Video analysis yielded 848 CI. 74.5% of all critical incidents occurred during heading duels as a part of tackling (odds ratio: 3.6, 95%-CI: 2.4-5.2), and 99.4% involved body contact (odds ratio: 5.9, 95%-CI: 2,8-12,7). This study is the first to provide detailed epidemiological data on heading and critical incidences with high risk for head injuries in professional football. Heading duels bear a high risk of head injury and thus represent a key target for prevention strategies. The impacts of headers should be critically investigated regarding neurological consequences in further studies, by including the mean heading rate per mal field player and match.

Reversible control of ferroelectric polarization is essential to overcome the heterocatalytic kinetic limitation. This can be achieved by creating a surface with switchable electron density; however, owing to the rigidity of traditional ferroelectric oxides, achieving polarization reversal in piezocatalytic processes remains challenging. Herein, sub-nanometer-sized Hf 0.5 Zr 0.5 O 2 (HZO) nanowires with a polymer-like flexibility are synthesized. Oxygen K-edge X-ray absorption spectroscopy and negative spherical aberration-corrected transmission electron microscopy reveal an orthorhombic (Pca2 1 ) ferroelectric phase of the HZO sub-nanometer wires (SNWs). The ferroelectric polarization of the flexible HZO SNWs can be easily switched by slight external vibration, resulting in dynamic modulation of the binding energy of adsorbates and thus breaking the "scaling relationship" during piezocatalysis. Consequently, the as-synthesized ultrathin HZO nanowires display superb water-splitting activity, with H 2 production rate of 25687 µmol g -1  h -1 under 40 kHz ultrasonic vibration, which is 235 and 41 times higher than those of non-ferroelectric hafnium oxides and rigid BaTiO 3 nanoparticles, respectively. More strikingly, the hydrogen production rates can reach 5.2 µmol g -1  h -1 by addition of stirring exclusively., (© 2023 Wiley-VCH GmbH.)

Carbohydrates are the most abundant organic material on Earth and the structural "material of choice" in many living systems. Nevertheless, design and engineering of synthetic carbohydrate materials presently lag behind that for protein and nucleic acids. Bottom-up engineering of carbohydrate materials demands an atomic-level understanding of their molecular structures and interactions in condensed phases. Here, high-resolution scanning tunneling microscopy (STM) is used to visualize at submolecular resolution the three-dimensional structure of cellulose oligomers assembled on Au(1111) and the interactions that drive their assembly. The STM imaging, supported by ab initio calculations, reveals the orientation of all glycosidic bonds and pyranose rings in the oligomers, as well as details of intermolecular interactions between the oligomers. By comparing the assembly of D- and L-oligomers, these interactions are shown to be enantioselective, capable of driving spontaneous enantioseparation of cellulose chains from its unnatural enantiomer and promoting the formation of engineered carbohydrate assemblies in the condensed phases., (© 2023 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.)

Background: Interdependencies of health, fitness, cognition, and emotion can promote or inhibit mobility. This study aimed to analyse pathways and interactions between individual subjective and objective physical performance, cognition, and emotions with activities of daily living (ADLs) as mobility indicators in multimorbid nursing home residents., Methods: The study included n = 448 (77.1% females, age = 84.1 ± 7.8 years) nursing home residents. To describe the participant's demographics, frailty, number of falls, and participating institutions' socioeconomic status (SES) were assessed. ADLs were measured with the Barthel Index (BI; dependent variable). Independent variables included objective physical performance, subjective physical performance, cognition, and emotions. A structural equation model (SEM) with maximum likelihood estimation was conducted with AMOS. Direct and indirect effects were estimated using standardized coefficients (significance level of 0.05)., Results: Indices showed (Chi 2 (148) = 217, PCMIN/DF = 1.47; p < .001; Comparative Fit Index = .940; Tucker Lewes Index = .902, RMSEA = .033) that the model fitted the data adequately. While there was no direct association between emotions, subjective physical performance, and ADLs, objective physical performance and cognition predicted higher ADLs (p < .01). Emotions had a strong relationship with subjective physical performance, and cognition had a moderate relationship with objective physical performance., Discussion and Conclusion: Objective performance and cognition predicted higher functional status, as expressed by higher BI scores. ADLs, such as mobility, dressing, or handling tasks, require motor and cognitive performance. Subjective performance is an important predictor of ADLs and is only partly explained by objective performance, but to a large extent also by emotions. Therefore, future interventions for nursing home residents should take a holistic approach that focuses not only on promoting objective physical and cognitive performance but also on emotions and perceived physical performance., Trial Registration: Trial registration number: DRKS00014957., (© 2023. European Group for Research into Elderly and Physical Activity (EGRIPA).)

The intriguing role of the intracellular crowded environment in regulating protein aggregation remains elusive. The convolution of several factors such as the protein sequence-dependence, crowder's shape and size and diverse intermolecular interactions makes it complex to identify systematic trends. One of the ways to simplify the problem is to study a synthetic model for self-assembling proteins. In this study, we examine the aggregation behaviour of the cationic pseudoisocyanine chloride (PIC) dyestuff which is known to self-assemble and form fibril-like J-aggregates in aqueous solutions, similar to those formed by amyloid-forming proteins. Prior experimental studies have shown that polyethylene glycol impedes and Ficoll-400 promotes the self-assembly of PIC dyes. To achieve molecular insights, we examine the effect of crowding by ethylene glycol on the solvation thermodynamics of oligomerization of dyes into H-type and J-type oligomers using extensive molecular dynamics simulations. The binding free energy calculations show that the formation of J-oligomers is more favourable than that of H-oligomers in water. The stability of H- and J- tetramers and pentamers decreases in crowded solutions. The formation of oligomers is supported by the favourable change in dye-solvent interaction energy in both pure water and aqueous ethylene glycol solution although it is opposed by the reduced dye-solvent entropy. Ethylene glycol, as a molecular crowder, disfavours the H- as well as J-oligomerization via preferential binding to the dye oligomers. An unfavourable change in dye-crowder and dye-dye interaction energy on dye association makes the H-oligomer formation less favourable in crowded solution than in pure water solution. In the case of J-oligomers, however, the unfavourable change in dye-crowder interaction energy primarily contributes to making total dye-solvent energy unfavourable. The results are supported by isothermal titration calorimetry measurements where the binding of ethylene glycol to PIC molecules is found to be endothermic. The results provide an emerging view that a crowded environment can disfavour self-assembly of PIC dyes by interactions with the oligomeric states. The findings have implications in understanding the role of a crowded environment in shaping the free energy landscapes of proteins.

We study how competition between physicians affects the provision of medical care. In our theoretical model, physicians are faced with a heterogeneous patient population, in which patients systematically vary with regard to both their responsiveness to the provided quality of care and their state of health. We test the behavioral predictions derived from this model in a controlled laboratory experiment. In line with the model, we observe that competition significantly improves patient benefits as long as patients are able to respond to the quality provided. For those patients, who are not able to choose a physician, competition even decreases the patient benefit compared to a situation without competition. This decrease is in contrast to our theoretical prediction implying no change in benefits for passive patients. Deviations from patient-optimal treatment are highest for passive patients in need of a low quantity of medical services. With repetition, both, the positive effects of competition for active patients as well as the negative effects of competition for passive patients become more pronounced. Our results imply that competition can not only improve but also worsen patient outcome and that patients' responsiveness to quality is decisive., (© 2023 The Authors. Health Economics published by John Wiley & Sons Ltd.)

We modeled the uptake of water molecules into the nanopores of potassium-polyheptazineimide (K-PHI), a 2D covalent material that is one of the best water-splitting photocatalysts to date possessing experimentally reported strong water binding. In the current models, we find that first water molecules are bound with -94.5 kJ/mol, i.e., twice the cohesion energy of water and one of the highest adsorption enthalpies reported so far. This strong binding proceeds unexpectedly on a similar enthalpy level until the pore is filled, while the binding strength is passed through a conjugated water network. The tight binding is also expressed in calculated, strongly shortened O-O distances, which are on average about 5% shorter than in bulk water, which corresponds to a much higher water density, for a 2D structure above 1.1 g/ cm 3 . The H-bridges are strongly aligned in the direction perpendicular to the covalent planes, which could give reasons for the experimentally observed ultrahigh ion fluxes and conductivity of K-PHI membranes. Decomposition of the adsorption energy into components reveals an unexpectedly high charge transfer contribution, where the partly naked K + ions play a key role. The latter fact not only offers a new structural lead motif for the design of more strongly, but reversibly binding adsorption materials involving metal ions on their surface but also puts cations as known cofactors in enzymes into a new light., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

The aim of the present study is to prove the construct validity of the German versions of the Feeling Scale (FS) and the Felt Arousal Scale (FAS) for a progressive muscle relaxation (PMR) exercise. A total of 228 sport science students conducted the PMR exercise for 45 min and completed the FS, the FAS, and the Self-Assessment Manikin (SAM) in a pre-test-post-test design. A significant decrease in arousal ( t (227) = 8.296, p < 0.001) and a significant increase in pleasure ( t (227) = 4.748, p < 0.001) were observed. For convergent validity, the correlations between the FS and the subscale SAM-P for the valence dimension ( r = 0.67, p < 0.001) and between the FAS and the subscale SAM-A for the arousal dimension ( r = 0.31, p < 0.001) were significant. For discriminant validity, the correlations between different constructs (FS and SAM-A, FAS and SAM-P) were not significant, whereas the discriminant analysis between the FS and the FAS revealed a negative significant correlation ( r = -0.15, p < 0.001). Together, the pattern of results confirms the use of the German versions of the FS and the FAS to measure the affective response for a PMR exercise.

In our present study, we have investigated the effects of an externally applied static electric field on the vibrational dynamics of liquid water (D 2 O) using ab initio molecular dynamics. The rate of vibrational spectral diffusion is obtained from simulated two-dimensional infrared spectra, three-pulse photon echo intensity, and frequency correlation functions and distributions. We find that the static vibrational frequency distribution undergoes a redshift of 90 cm -1 whereas the overall vibrational dynamics get slower with the relaxation time constant to be around 4.9 ps. Thus we infer that the local hydrogen bond network tends to reorganize in the presence of an external field with an increase in local structural order as evident from the overall slower vibrational dynamics and reduced molar entropy.

Purpose of Review: The incidence of sport-related concussion (SRC) has been increasing in different sports and its impact on long-term cognitive function is increasingly recognized. In this study, we review the epidemiology, neuropathophysiology, clinical symptoms, and long-term consequences of SRC with a specific focus on cognition., Recent Findings: Repeated concussions are associated with an increased risk of several neurologic diseases and long-term cognitive deficits. To improve cognitive outcomes in athletes with SRC, standardized guidelines for the assessment and management of SRC are vital. However, current concussion management guidelines lack procedures for rehabilitating acute and long-term cognitive symptoms., Summary: Increased awareness for the management and rehabilitation of cognitive symptoms in SRC is needed in all clinical neurologists treating professional and amateur athletes. We propose cognitive training as a prehabilitation tool to alleviate the severity of cognitive symptoms and as a rehabilitative tool to improve cognitive recovery postinjury., (© 2023 American Academy of Neurology.)

Introduction: While most of the available literature on competitive balance analyses its impact on ticket sales and TV audiences, less empirical research is available that examines the observable variation in competitive balance across leagues and over time. This paper studies the concentration of player talent and end-of-season league points to empirically assess whether leagues with a more equal distribution of player talent produce a more balanced competition than leagues with less equal distribution., Methods: The longitudinal data we use to estimate our empirical model comes from professional soccer leagues in twelve Western European countries from 2005/06 thru 2020/21, yielding 5,299 club-season observations., Results: Our empirical analysis indicates that talent concentration in a league significantly and positively impacts points concentration in that league. However, in specifications controlling for year, country, and division, this impact is only weakly significant or insignificant, suggesting that talent concentration does not significantly affect competitive balance in that league. Additionally, our findings demonstrate that the relationship between talent and points concentration does not vary considerably across the European leagues or over time., Discussion: Our results suggest that repeated participation in the UEFA Champions League, with its considerable monetary returns by (more or less) the same subset of teams, does not increase competitive imbalance in the respective national league. Thus, with relatively few additional regulatory interventions, the promotion and relegation system in the open European soccer leagues seems effective in ensuring a balanced competition., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (© 2023 Frick, Quansah and Lang.)

We demonstrate the effect of spin-momentum locking of upconversion photoluminescence emitted from rare-earth doped nanocrystals coupled to a phase-gradient dielectric metasurface. We observe different directionalities for left and right circular polarized light and associate this experimental observation with the photonic Rashba effect realized for upconverted photoluminescence that is manifested in the spin-dependent splitting of emitted light in the momentum space.

The present study aims to investigate the behavioral outcomes and the antecedent brain dynamics during the preparation of tasks in which the discrimination is either about the choice (choice response task; CRT) or the action (Go/No-go), and in a task not requiring discrimination (simple response task; SRT). Using event-related potentials (ERPs), the mean amplitude over prefrontal, central, and parietal-occipital sites was analyzed in 20 young healthy participants in a time frame before stimulus presentation to assess cognitive, motor, and visual readiness, respectively. Behaviorally, participants were faster and more accurate in the SRT than in the CRT and the Go/No-go. At the electrophysiological level, the proactive cognitive and motor ERP components were larger in the CRT and the Go/No-go than the SRT, but the largest amplitude emerged in the Go/No-go. Further, the amplitude over parieto-occipital leads was enhanced in the SRT. The strongest intensity of the frontal negative expectancy wave over prefrontal leads in the Go/No-go task could be attributed to the largest uncertainty about the target presentation and subsequent motor response selection and execution. The enhanced sensory readiness in the SRT can be related to either an increased visual readiness associated with task requirements or a reduced overlap with proactive processing on the scalp., Competing Interests: The authors declare no conflict of interest.

The aim of the present study was to investigate if the presence of anterior cruciate ligament (ACL) injury risk factors depicted in the laboratory would reflect at-risk patterns in football-specific field data. Twenty-four female footballers (14.9 ± 0.9 year) performed unanticipated cutting maneuvers in a laboratory setting and on the football pitch during football-specific exercises (F-EX) and games (F-GAME). Knee joint moments were collected in the laboratory and grouped using hierarchical agglomerative clustering. The clusters were used to investigate the kinematics collected on field through wearable sensors. Three clusters emerged: Cluster 1 presented the lowest knee moments; Cluster 2 presented high knee extension but low knee abduction and rotation moments; Cluster 3 presented the highest knee abduction, extension, and external rotation moments. In F-EX, greater knee abduction angles were found in Cluster 2 and 3 compared to Cluster 1 ( p = 0.007). Cluster 2 showed the lowest knee and hip flexion angles ( p < 0.013). Cluster 3 showed the greatest hip external rotation angles ( p = 0.006). In F-GAME, Cluster 3 presented the greatest knee external rotation and lowest knee flexion angles ( p = 0.003). Clinically relevant differences towards ACL injury identified in the laboratory reflected at-risk patterns only in part when cutting on the field: in the field, low-risk players exhibited similar kinematic patterns as the high-risk players. Therefore, in-lab injury risk screening may lack ecological validity.

Background: The COVID-19 pandemic has led to a deepening of existing inequalities and a rollback of achievements made in gender equality. Women in Global Health (WGH) is a global movement that aims to achieve gender equality in health and increase female leadership in global health. Here, the aim was to understand how the pandemic affects the private and professional lives of women working in global health in different European countries. Suggestions for future pandemic preparedness including how gender perspectives should be integrated into pandemic preparedness and how a women's network such as WGH helped them to overcome the impact of the pandemic were explored., Methods: Qualitative semi-structured interviews were conducted in September 2020 with a sample size of nine highly educated women with a mean age of 42.1 years from the different WGH European chapters. The participants were informed of the study and were formally asked for their consent. The interviews were held in English via an online videoconference platform and lasted 20-25 min each. The interviews were audio recorded and transcribed verbatim. Thematic analysis was conducted according to Mayring Qualitative Content Analysis using MAXQDA., Results: The pandemic has both positive and negative effects on the professional and private lives of women. It led to an increased workload and stress as well as pressure to publish on COVID-19-related themes. Increased childcare and household responsibilities represented a double burden. The available space was limited if other family members were also working from home. Positive aspects included more time for family or partners and reduced travel. The participants report on perceived gender differences in the experience of the pandemic. International cooperation is considered to be a key factor for future pandemic preparedness. Being part of a women's network such as WGH was perceived as being very supportive in difficult situations during the pandemic., Conclusion: This study provides unique insights into the experiences of women working in global health in different European countries. The COVID-19 pandemic influences their professional and private lives. Perceived gender differences are reported and suggest the need for integrating gender perspectives in pandemic preparedness. Networks for women, such as WGH, can facilitate the exchange of information in crises and provide women with professional and personal support., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (© 2023 Hoffmann, Schneider, Wannous, Nyberger, Haavardsson, Gilmore, Quigley, Winkler and Ludwig.)

Action-imagery practice (AIP) is often less effective than action-execution practice (AEP). We investigated whether this is due to a different time course of learning of different types of sequence representations in AIP and AEP. Participants learned to sequentially move with one finger to ten targets, which were visible the whole time. All six sessions started with a test. In the first four sessions, participants performed AIP, AEP, or control-practice (CP). Tests involved the practice sequence, a mirror sequence, and a different sequence, which were performed both with the practice hand and the other (transfer) hand. In AIP and AEP, movement times (MTs) in both hands were significantly shorter in the practice sequence than in the other sequences, indicating sequence-specific learning. In the transfer hand, this indicates effector-independent visual-spatial representations. The time course of the acquisition of effector-independent visual-spatial representations did not significantly differ between AEP and AIP. In AEP (but not in AIP), MTs in the practice sequence were significantly shorter in the practice hand than in the transfer hand, indicating effector-dependent representations. In conclusion, effector-dependent representations were not acquired after extensive AIP, which may be due to the lack of actual feedback. Therefore, AIP may replace AEP to acquire effector-independent visual-spatial representations, but not to acquire effector-dependent representations., (© 2022. The Author(s).)

Purpose: The study analysed unique data on anterior cruciate ligament (ACL) injuries among German professional male team sports over five consecutive seasons with the aim of improving medical outcomes in the future. Sport-specific differences in injury occurrence, concomitant injuries, timing of ACL reconstruction, graft type selection and short-term complications were examined., Methods: This retrospective study analysed trauma insurance data on all complete ACL tears from players with at least one competitive match appearance in the two highest divisions of German male basketball, ice hockey, football and handball. Each complete ACL tear registered by clubs or physicians between the 2014/15 and 2018/19 seasons with the German statutory accidental insurance for professional athletes (VBG) as part of occupational accident reporting was included., Results: In total, 189 out of 7517 players (2.5%) sustained an ACL injury, mainly in handball (n = 82; 43.4%) and football (n = 72; 38.1%) followed by ice hockey (n = 20; 10.6%) and basketball (n = 15; 7.9%).Seventeen players (9.0%) also sustained a second ACL injury. Thus, 206 ACL injuries were included in the analysis. The overall match incidence of ACL injuries was 0.5 per 1000 h and was highest in handballs (1.1 injuries per 1000 h). A total of 70.4% of ACL injuries involved concomitant injury to other knee structures, and 29.6% were isolated ACL injuries. The highest rate of isolated ACL injuries was seen in ice hockey (42.9%). All ACL injuries, except for one career-ending injury, required surgery. In the four analysed team sports, hamstring tendons (71.4%) were the most commonly used grafts for ACL reconstruction; football had the highest percentage of alternative grafts (48.7%). During rehabilitation, 22.9% of all surgically treated ACL injuries (n = 205) required at least two surgical interventions, and 15.6% required revision arthroscopy. The main cause of revision arthroscopy (n = 32; 50.0%) was range-of-motion deficit due to arthrofibrosis or cyclops formation., Conclusion: The present study shows an overall high rate of revision arthroscopy after ACLR (15.6%), which should encourage surgeons and therapists to evaluate their treatment and rehabilitation strategies in this specific subpopulation. Hamstring tendon grafts are most commonly used for ACL reconstruction but have the highest revision and infection rates. Handball shows the highest ACL injury risk of the four evaluated professional team sports. Concomitant injuries occur in the majority of cases, with the highest share of isolated ACL injuries occurring in ice hockey., Level of Evidence: Level III., (© 2022. The Author(s) under exclusive licence to European Society of Sports Traumatology, Knee Surgery, Arthroscopy (ESSKA).)

Some of the online explainer videos for physics present misconceptions as scientifically correct explanations. Even so, some of these videos achieve good ratings on online platforms. A possible reason is that explainer videos with misconceptions foster an "illusion of understanding"-the mistaken belief that a topic has been understood. Misconceptions close to everyday experiences might appear more attractive than scientifically correct explanations. This experimental study ( N  = 149 physics learners with a low prior knowledge on average, sample of convenience) was conducted to explore this effect. Two explainer videos were developed to be comparable in terms of comprehensibility and duration. The explanatory approach was the only difference between the two videos. While the experimental group watched a video introducing the concept of force using misconceptions, the control group watched a scientifically correct video. Learners from the experimental group developed an equal belief of understanding, but more misconceptions and fewer scientifically correct conceptions than those from the control group. We argue that this illusion of understanding might become problematic (a) in physics instruction because students who have watched a misleading video might regard further teaching in school as irrelevant, and (b) learners might tend to rate videos including misconceptions better on an online platform like YouTube. Future studies should examine these two possible consequences., Competing Interests: Conflict of InterestThe authors declare no competing interests., (© The Author(s) 2022.)

When the COVID-19 pandemic began, many universities switched to fully online teaching. This unexpected switching to online teaching was challenging for both teachers and students, and restrictions that were put in place because of pandemic made this challenge even greater. However, new ways of teaching might also open new opportunities for students' learning. The research question driving our study was as follows: how do students regulate their learning and specifically their choice of resources and peer learning in university mathematics classes that are fully taught online as offered during the COVID-19 pandemic? We report on a longitudinal, qualitative study in which students recorded a brief audio diary twice a week over one whole semester (14 weeks). We focused on three students who completed 70 interviews in total and finished the semester with varying degrees of success. The results show how the students structured their studying (e.g., the roles that deadlines or synchronous teaching events played). They illustrate the strengths and limitations of digital materials provided by the lecturer and the use of complementary media. Further, the pandemic uncovered the double-edged role of simple, often anonymous exchanges (e.g., via Discord servers), with few binding forces for either side, and the significance of stable learning partnerships for students' success. Our research highlights aspects that should be focal points when comparing traditional instruction and online instruction during the pandemic from a self-regulatory perspective. Practical implications refer to how these aspects can be combined sensibly in fully online courses, but also in blended learning contexts., (© The Author(s) 2022.)

2 H -NbSe 2 is a prototypical charge-density-wave (CDW) system, exhibiting such a symmetry-breaking quantum ground state in its bulk and down to a single-atomic-layer limit. However, how this state depends on dimensionality and what governs the dimensionality effect remain controversial. Here, we experimentally demonstrate a robust 3 × 3 CDW phase in both freestanding and substrate-supported bilayer NbSe 2 , far above the bulk transition temperature. We exclude environmental effects and reveal a strong temperature and thickness dependence of Raman intensity from an axially vibrating A 1g phonon mode, involving Se ions. Using first-principles calculations, we show that these result from a delicate but profound competition between the intra- and interlayer bonding formed between Se-p z orbitals. Our results suggest the crucial role of Se out-of-plane displacement in driving the CDW distortion, revealing the Se-dominated dimensionality effect and establishing a new perspective on the chemical bonding and mechanical stability in layered CDW materials.

Aza -pinacol coupling of N -benzyl-1-phenylmethanimine using Zn dust affords a mixture of R , S- or R , R -diastereomers in a 1:1 ratio. The R , S -diastereomer is solid with an m.p. of 135 °C, while the R , R- diastereomer is liquid at room temperature. The configuration of stereocenters was determined by combining X-ray powder diffraction and density functional theory (DFT) modeling., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)

Increasing the metal-to-ligand charge transfer (MLCT) excited state lifetime of polypyridine iron(II) complexes can be achieved by lowering the ligand's π* orbital energy and by increasing the ligand field splitting. In the homo- and heteroleptic complexes [Fe(cpmp) 2 ] 2+ (1 2+ ) and [Fe(cpmp)(ddpd)] 2+ (2 2+ ) with the tridentate ligands 6,2''-carboxypyridyl-2,2'-methylamine-pyridyl-pyridine (cpmp) and N,N'-dimethyl-N,N'-di-pyridin-2-ylpyridine-2,6-diamine (ddpd) two or one dipyridyl ketone moieties provide low energy π* acceptor orbitals. A good metal-ligand orbital overlap to increase the ligand field splitting is achieved by optimizing the octahedricity through CO and NMe units between the coordinating pyridines which enable the formation of six-membered chelate rings. The push-pull ligand cpmp provides intra-ligand and ligand-to-ligand charge transfer (ILCT, LL'CT) excited states in addition to MLCT excited states. Ground and excited state properties of 1 2+ and 2 2+ were accessed by X-ray diffraction analyses, resonance Raman spectroscopy, (spectro)electrochemistry, EPR spectroscopy, X-ray emission spectroscopy, static and time-resolved IR and UV/Vis/NIR absorption spectroscopy as well as quantum chemical calculations., (© 2022 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.)

Absorption measurements allow the orientational order parameter of four dyes in the lyotropic chromonic liquid crystal di-sodium cromoglycate (DSCG) to be determined. The dye order parameters are small, except for dyes that intercalate between the DSCG molecules of the rod-like assemblies. The dye order parameters decrease with increasing temperature faster than the nematic order parameter of the DSCG assemblies. For intercalating dyes, the measured dye order parameter varies with the wavelength of the measurement because both intercalated and non-intercalated dye molecules contribute. On the contrary, measurements of the dye order parameter using fluorescence are sensitive only to intercalated dye molecules and produce values that reflect the order parameter of the DSCG assemblies. Therefore, the temperature and concentration dependence of the DSCG order parameter is also explored, since data of this kind on this often-studied system are lacking. Finally, the association constant of one of the intercalating dyes with the DSCG assemblies is determined, yielding a value considerably less than what is found for the same dye with DNA.

With regard to the development of single atom catalysts (SACs), non-noble metal-organic layers combine a large functional variability with cost efficiency. Here, we characterize reacted layers of melamine and melem molecules on a Cu(111) surface by noncontact atomic force microscopy (nc-AFM), X-ray photoelectron spectroscopy (XPS) and ab initio simulations. Upon deposition on the substrate and subsequent heat treatments in ultrahigh vacuum (UHV), these precursors undergo a stepwise dehydrogenation. After full dehydrogenation of the amino groups, the molecular units lie flat and are strongly chemisorbed on the copper substrate. We observe a particularly extreme interaction of the dehydrogenated nitrogen atoms with single copper atoms located at intermolecular sites. In agreement with the nc-AFM measurements performed with an O-terminated copper tip on these triazine- and heptazine-based copper nitride structures, our ab initio simulations confirm a pronounced interaction of oxygen species at these N-Cu-N sites. To investigate the related functional properties of our samples regarding the oxygen reduction reaction (ORR), we developed an electrochemical setup for cyclic voltammetry experiments performed at ambient pressure within a drop of electrolyte in a controlled O 2 or N 2 environment. Both copper nitride structures show a robust activity in irreversibly catalyzing the reduction of oxygen. The activity is assigned to the intermolecular N-Cu-N sites of the triazine- and heptazine-based copper nitrides or corresponding oxygenated versions (N-CuO-N, N-CuO 2 -N). By combining nc-AFM characterization on the atomic scale with a direct electrochemical proof of performance, our work provides fundamental insights about active sites in a technologically highly relevant reaction.

Growth of Cu(In,Ga)Se 2 (CIGS) absorbers under Cu-poor conditions gives rise to incorporation of numerous defects into the bulk, whereas the same absorber grown under Cu-rich conditions leads to a stoichiometric bulk with minimum defects. This suggests that CIGS absorbers grown under Cu-rich conditions are more suitable for solar cell applications. However, the CIGS solar cell devices with record efficiencies have all been fabricated under Cu-poor conditions, despite the expectations. Therefore, in the present work, both Cu-poor and Cu-rich CIGS cells are investigated, and the superior properties of the internal interfaces of the Cu-poor CIGS cells, such as the p-n junction and grain boundaries, which always makes them the record-efficiency devices, are shown. More precisely, by employing a correlative microscopy approach, the typical fingerprints for superior properties of internal interfaces necessary for maintaining a lower recombination activity in the cell is discovered. These are a Cu-depleted and Cd-enriched CIGS absorber surface, near the p-n junction, as well as a negative Cu factor (∆β) and high Na content (>1.5 at%) at the grain boundaries. Thus, this work provides key factors governing the device performance (efficiency), which can be considered in the design of next-generation solar cells., (© 2022 The Authors. Advanced Materials published by Wiley-VCH GmbH.)

The solvation of ions changes the physical, chemical and thermodynamic properties of water, and the microscopic origin of this behaviour is believed to be ion-induced perturbation of water's hydrogen-bonding network. Here we provide microscopic insights into this process by monitoring the dissipation of energy in salt solutions using time-resolved terahertz-Raman spectroscopy. We resonantly drive the low-frequency rotational dynamics of water molecules using intense terahertz pulses and probe the Raman response of their intermolecular translational motions. We find that the intermolecular rotational-to-translational energy transfer is enhanced by highly charged cations and is drastically reduced by highly charged anions, scaling with the ion surface charge density and ion concentration. Our molecular dynamics simulations reveal that the water-water hydrogen-bond strength between the first and second solvation shells of cations increases, while it decreases around anions. The opposite effects of cations and anions on the intermolecular interactions of water resemble the effects of ions on the stabilization and denaturation of proteins., (© 2022. The Author(s).)

Alkali postdeposition treatments of Cu(In,Ga)Se 2 absorbers with KF, RbF, and CsF have led to remarkable efficiency improvements for chalcopyrite thin film solar cells. However, the effect of such treatments on the electronic properties and defect physics of the chalcopyrite absorber surfaces are not yet fully understood. In this work, we use scanning tunneling spectroscopy and X-ray photoelectron spectroscopy to compare the surface defect electronic properties and chemical composition of RbF-treated and nontreated absorbers. We find that the RbF treatment is effective in passivating electronic defect levels at the surface by preventing surface oxidation. Our X-ray photoelectron spectroscopy (XPS) data points to the presence of chemisorbed Rb on the surface with a bonding configuration similar to that of a RbInSe 2 bulk compound. Yet, a quantitative analysis indicates Rb coverage in the submonolayer regime, which is likely causing the surface passivation. Furthermore, ab initio calculations confirm that RbF-treated surfaces are less prone to oxidation (in the form of Ga, In, and Se oxides) than bare chalcopyrite surfaces. In addition, elemental diffusion of Rb along with Na, Cu, and Ga is found to occur when the samples are annealed under ultrahigh vacuum conditions. Magnetic sector secondary ion mass spectrometry measurements indicate that there is a homogeneous spatial distribution of Rb on the surface both before and after annealing, albeit with an increased concentration at the surface after heat treatment. Depth-resolved magnetic sector secondary ion mass spectrometry measurements show that Rb diffusion within the bulk occurs predominantly along grain boundaries. Scanning tunneling and XPS measurements after subsequent annealing steps demonstrate that the Rb accumulation at the surface leads to the formation of metallic Rb phases, involving a significant increase of electronic defect levels and/or surface dipole formation. These results strongly suggest a deterioration of the absorber-window interface because of increased recombination losses after the heat-induced diffusion of Rb toward the interface.