In the most prestigious journals of many disciplines, female researchers are underrepresented. To better understand this phenomenon, we compare the proportions of female authors in all leading management and organization studies (MOS) journals, explore underlying gendered publication patterns, and analyze factors explaining differences between journals. We examine the gendered distribution of authorship in these journals using a complete, original time series. The comprehensive data set includes all articles published in fourteen leading journals in the MOS field, comprising 77,472 cases (authors) and 43,673 articles. The findings show that women have been underrepresented in all leading MOS journals until now. However, our findings reveal significant differences between journals, with some journals lagging far behind their peers. We ask why some journals score much higher than others and show that gendered authorship constellations and research topic specialization consistently explain female representation differences between journals. More specifically, we find a dominance of ‘men's clubs’ when it comes to authorship constellations and thriving ‘male islands’ when it comes to research topics. In contrast, ‘women's clubs’ are far less prevalent and no ‘female island’ exists. Interestingly, female authorship and ‘shared islands’ play a particularly powerful role in narrowing the gender gap in leading journals. Our results provide a benchmark for female representation across leading journals and allow for the formulation of concrete research policy goals and directions for change.View less
The estimation of poverty and inequality indicators based on survey data is trivial as long as the variable of interest (e.g., income or consumption) is measured on a metric scale. However, estimation is not directly possible, using standard formulas, when the income variable is grouped due to confidentiality constraints or in order to decrease item nonresponse. We propose an iterative kernel density algorithm that generates metric pseudo samples from the grouped variable for the estimation of indicators. The corresponding standard errors are estimated by a non-parametric bootstrap that accounts for the additional uncertainty due to the grouping. The algorithm enables the use of survey weights and household equivalence scales. The proposed method is applied to the German Microcensus for estimating the regional distribution of poverty and inequality in Germany.View less
In adaptive-bias enhanced sampling methods, a bias potential is added to the system to drive transitions between metastable states. The bias potential is a function of a few collective variables and is gradually modified according to the underlying free energy surface. We show that when the collective variables are suboptimal, there is an exploration–convergence tradeoff, and one must choose between a quickly converging bias that will lead to fewer transitions or a slower to converge bias that can explore the phase space more efficiently but might require a much longer time to produce an accurate free energy estimate. The recently proposed on-the-fly probability enhanced sampling (OPES) method focuses on fast convergence, but there are cases where fast exploration is preferred instead. For this reason, we introduce a new variant of the OPES method that focuses on quickly escaping metastable states at the expense of convergence speed. We illustrate the benefits of this approach in prototypical systems and show that it outperforms the popular metadynamics method.View less
Deoxygenative conversion of alcohols into difluoromethylthioethers is reported using 2-((difluoromethyl)thio)-3-methylbenzo[d]thiazol-3-ium triflate (BT−SCF2H) as a source of −SCF2H anions. The presence of silver(I) triflate as a catalyst was found to be crucial for stabilizing the in situ-generated anion, while the concomitant formation of a reactive 2-(alkoxy)benzothiazolium electrophile likely ensures a fast onward substitution reaction, avoiding the build-up of −SCF2H. To the best of our knowledge, this process represents the first report of a direct nucleophilic substitution reaction with −SCF2H and delivers products containing the medicinally relevant difluoromethylthio motif in a single step from widely available alcohols.View less
With the stay at home orders during the pandemic, the often semi-public green spaces of the residential environment, usually created during the building of the houses, became our literal spheres of experience. In our study, we explored use and perceptions of local greenery by residents after sixteen months of the COVID-19 crisis, using face to face questionnaires in eight socially disadvantaged neighborhoods of Berlin, all exposed to high loads of environmental stressors and belonging to four relevant building types of Central European cities. Residential greenery was highly appreciated by residents during COVID-19, and fostered a more active appropriation such as meeting neighbors to reduce the sense of loneliness, doing sports and co-creating refugia in challenging times (e.g. greened balconies). Having children or doing home office/schooling encouraged people to use the green in front of the door in more active ways, such as gardening or even during winter. A minor proportion of respondents reduced contacts mainly due to fear of infections, underlining the need to overcome those distances and to re-connect neighbors and living inside and outside the houses in a post-pandemic city. Our data prove the functionality of residential greenery as ‘social tissue’ or ‘social hubs’ of neighborhoods by fostering attachment to place and people and, at the same time, as healthy environment for practices such as enjoying nature and physical activity in fresh air.View less
Herein, a simple one-pot procedure is reported to obtain aqueous zinc oxide (ZnO) nanoparticle dispersions from ZnO nanoparticles dispersed in cyclohexane. In the process, polyoxyethylene (20) sorbitan monooleate (polysorbate 80, Tween 80) functions as a phase transfer agent and colloidal stabilizer. The particles grow in a defined manner during the transfer, presumably via coalescence. The final particle radii are tuneable in the range from 2.3 ± 0.1 nm to 5.7 ± 0.1 nm depending on the incubation time of the dispersion at 90 °C. Small-angle X-ray scattering is employed to determine the particle radius distributions before and after phase transfer. The larger ZnO particle radii are associated with a redshift of the optical bandgap and luminescence emission, as expected for semiconductor nanoparticles. The particles presented here exhibit a relative size distribution width of 20%, rendering them attractive for applications in, e.g., biology or catalysis. The latter application is demonstrated at the photocatalytic degradation of methylene blue dye.View less
We report a new sequence selective terpolymerisation in which three monomers (butylene oxide (BO) A, PhNCS B and phtalic thioanhydride (PTA) C) are selectively enchained into an (ABA′C)n sequence. PTA/PhNCS/BO ring-opening terpolymerisation ROTERP can be coupled with CS2 ROTERP to generate tetrapolymers and with εDL ROP in switchable catalysis for blockpolymer synthesis.
Filamentous fungi are characterised by specific features, such as multinuclearity, coexistence of genetically different nuclei and nuclear movement across the mycelial network. These attributes make them an interesting, yet rather underappreciated, system for studying (eco)evolutionary dynamics. This is especially noticeable among theoretical studies, where rather few consider nuclei and their role in (eco)evolutionary dynamics. To encourage such theoretical approaches, we here provide an overview of existing research on nuclear genotype heterogeneity (NGH) and its sources, such as mutations and vegetative non-self-fusion. We then discuss the resulting intra-mycelial nuclear dynamics and the potential consequences for fitness and adaptation. Finally, we formulate a nuclei-based conceptual framework, which considers three levels of selection: a single nucleus, a subpopulation of nuclei and the mycelium. We compare this framework to other concepts, for example those that consider only the mycelium as the level of selection, and outline the benefits of our approach for studying (eco)evolutionary dynamics. Our concept should serve as a baseline for modelling approaches, such as individual-based simulations, which will contribute greatly to our understanding of multilevel selection and (eco)evolutionary dynamics in filamentous fungi.View less
Background: Previous studies among the general population indicated an association between mental illnesses and different forms of financial difficulties, such as indebtedness.
Objective: Investigation of the financial burden and associated factors among inpatients and day clinic patients in psychiatric care.
Material and methods: A total of 488 patients in psychiatric care in the catchment area of the Psychiatric University Hospital Charité at St. Hedwig Hospital participated in a cross-sectional patient survey carried out with a structured interview regarding financial burden, sociodemographic and clinical variables.
Results: Of the participants 269 (55.1%) showed outstanding debts, loans or unpaid bills. Among the participants who were willing to give information about the amount of debts, the majority (47.0%) had debts between 1000 € and 9999 € and 36.3% between 10,000 € and 99,999 €. In the binary regression models, younger age and substance use disorders were factors significantly associated with outstanding debts. Of the participants 22.3% had outstanding debts >10,000 € and were depending on social welfare, so that indebtedness could be assumed.
Conclusion: Financial burdens and outstanding debts among patients in psychiatric care should be inquired about and considered more intensively in practice. Suitable models of support need to be developed and evaluated.View less
Antiviral innate immunity represents the first defense against invading viruses and is key to control viral infections, including SARS-CoV-2. Body temperature is an omnipresent variable but was neglected when addressing host defense mechanisms and susceptibility to SARS-CoV-2 infection. Here, we show that increasing temperature in a 1.5°C window, between 36.5 and 38°C, strongly increases the expression of genes in two branches of antiviral immunity, nitric oxide production and type I interferon response. We show that alternative splicing coupled to nonsense-mediated decay decreases STAT2 expression in colder conditions and suggest that increased STAT2 expression at elevated temperature induces the expression of diverse antiviral genes and SARS-CoV-2 restriction factors. This cascade is activated in a remarkably narrow temperature range below febrile temperature, which reflects individual, circadian and age-dependent variation. We suggest that decreased body temperature with aging contributes to reduced expression of antiviral genes in older individuals. Using cell culture and in vivo models, we show that higher body temperature correlates with reduced SARS-CoV-2 replication, which may affect the different vulnerability of children versus seniors toward severe SARS-CoV-2 infection. Altogether, our data connect body temperature and pre-mRNA processing to provide new mechanistic insight into the regulation of antiviral innate immunity.View less
Hintergrund: Die Entwicklung eines Delirs im Rahmen eines idiopathischen Parkinson-Syndrom (IPS) ist eine gefürchtete Komplikation, die mit einem hohen Risiko für langanhaltende Verschlechterungen von Motorik und Psychopathologie einhergeht. Bisher liegen nur unzureichende Kenntnisse zu Prävalenz, Inzidenz, Verlauf und Prognose vor. Ebenso fehlen klinische Studien, aus denen sich Empfehlungen zum evidenzbasierten Management des Delirs bei IPS ableiten lassen.
Ziel der Arbeit/Fragestellung: Darstellung des aktuellen wissenschaftlichen Kenntnisstandes des Delirs beim IPS und Sensibilisierung für diese wichtige Krankheitsentität.
Methoden: Die Literatursuche wurde in PubMed durchgeführt.
Ergebnisse: Das IPS ist ein unabhängiger Risikofaktor für die Entwicklung eines Delirs. IPS-Patienten zeigen nach einem Delir anhaltende Verschlechterungen sowohl der Kognition als auch der motorischen Symptomatik.
Diskussion: Bislang existieren keine validierten Bewertungsskalen zur Erkennung und Verlaufsbeurteilung des Delirs beim IPS. Präventive und nichtpharmakologische Maßnahmen sollten konsequent und strukturiert angewandt werden. Die medikamentöse Behandlung mit Quetiapin und Clozapin ist bisher noch unzureichend untersucht, während andere Neuroleptika aufgrund ihrer dopaminantagonistischen Wirkung zur Behandlung des Delirs beim IPS kontraindiziert sind.View less
Einleitung: Die Transplantation humaner Femurköpfe (FK) ist ein etabliertes Verfahren in der knöchernen Defektrekonstruktion bei orthopädischen und unfallchirurgischen Eingriffen, wobei eine standardisierte morphologische Qualitätsbewertung des Femurkopfgewebes bisher kaum erfolgt.
Material und Methoden: Bei 105 Patienten wurde der jeweilige FK im Rahmen einer Hüft-TEP standardisiert entnommen. Anhand klinischer und radiologischer Kriterien (Vorhandensein von Zysten, Nekrosen, Verkalkungen, Deformitäten und Osteoporose) wurde der FK mittels des Tabea-FK-Scores in drei Kategorien (beste/mittlere/schlechte Qualität) eingeteilt. Hiernach erfolgte eine zweite, makroskopische Einteilung der Qualität des in drei Schichten aufgesägten FK. Dieser „Makro-Score“ diente als Goldstandard. Ergänzend wurden eine periphere quantitative Computertomographie (pQCT) sowie histologische Untersuchungen durchgeführt. Die Übereinstimmung des Tabea-FK-Scores sowie der Ergebnisse der ergänzenden Untersuchungen mit dem Makro-Score wurde mittels Sensitivitäten und Spezifitäten beurteilt.
Ergebnisse: Bei 91/105 Patienten (Alter: 68,4 ± 9,9 Jahre, n = 60 Frauen, n = 31 Männer) wurden die explantierten FK in die Studie eingeschlossen. Die Übereinstimmung zwischen dem primären Tabea-FK-Score und dem Makro-Score in Bezug auf die Unterscheidung mittlere/beste sowie schlechte/mittlere Qualität ist als gut einzustufen (Sensitivität 77 % sowie 81 % und Spezifität 76 % sowie 84 %). Die Übereinstimmung des histologischen Befundes mit dem Makro-Score war insgesamt etwas schlechter und wies in Bezug auf die Unterscheidung mittlere/beste sowie schlechte/mittlere Qualität eine Sensitivität von 85 % sowie 54 % und eine Spezifität von 66 % sowie 97 % auf. Der pQCT-Score wies lediglich bei der Unterscheidung mittlere/beste Qualität eine zufriedenstellende Sensitivität (82 %) auf, während diese bei der Unterscheidung schlechte/mittlere Qualität sowie schlechte/mittlere + beste Qualität <10 % betrug.
Diskussion: Die gute Übereinstimmung zwischen primärem Tabea-FK-Score und makroskopischer Zweitbewertung unterstreicht die Fähigkeiten langjährig operativ tätiger Orthopäden, die Qualität der Knochenspongiosa bereits anhand des Röntgenbildes und des intraoperativen Befundes korrekt einzustufen. Insofern kann die Einführung des Tabea-FK-Scores in die Routineabläufe von Knochenbanken als Qualitätssicherungsmaßnahme empfohlen werden.View less
It is well known that lipids neighboring integral membrane proteins directly influence their function. The opposite effect is true as well, as membrane proteins undergo structural changes after activation and thus perturb the lipidic environment. Here, we studied the interaction between these molecular machines and the lipid bilayer by observing changes in the lipid vibrational bands via FTIR spectroscopy. Membrane proteins with different functionalities have been reconstituted into lipid nanodiscs: Microbial rhodopsins that act as light-activated ion pumps (the proton pumps NsXeR and UmRh1, and the chloride pump NmHR) or as sensors (NpSRII), as well as the electron-driven cytochrome c oxidase RsCcO. The effects of the structural changes on the surrounding lipid phase are compared to mechanically induced lateral tension exerted by the light-activatable lipid analogue AzoPC. With the help of isotopologues, we show that the ν(C = O) ester band of the glycerol backbone reports on changes in the lipids’ collective state induced by mechanical changes in the transmembrane proteins. The perturbation of the nanodisc lipids seems to involve their phase and/or packing state. 13C-labeling of the scaffold protein shows that its structure also responds to the mechanical expansion of the lipid bilayer.View less
Objective: In 2018 Germany had the lowest rate of post-mortem organ donation in the Eurotransplant network. Healthcare trainees and students will be important advisors on organ donation for patients in the future. This study aimed to examine 1) attitudes and knowledge about post-mortem organ donation, 2) how past transplantation scandals have affected those attitudes and 3) how satisfied respondents were with the knowledge provided on the courses.
Methods: A cross-sectional study was conducted between 20 March and 8 July 2019 at a university hospital and nursing schools in Berlin and Potsdam, Germany. Study participants were 209 medical students, 106 health sciences students and 67 trainee nurses.
Results: Of the respondents 29.3 and 50.8% knew the tasks of the German Organ Transplantation Foundation and Eurotransplant, respectively. All brain death questions were correctly answered by 56.3% of the medical students, 25.7% of the health sciences students and 50.9% of the trainee nurses (Fisher’s exact test p < 0.001, Cramer’s V = 0.242). Transplantation scandals had damaged attitudes towards organ donation for 20.7% of the medical students, 33.3% of the health sciences students and 13.6% of the trainee nurses (χ2-test p = 0.001, Cramer’s V = 0.164). Asked whether post-mortem organ donation was sufficiently addressed in their courses, 39.5% of the medical students, 60.4% of the health sciences students and 51.9% of the trainee nurses said this was not or tended not to be the case (Kruskal-Wallis H-test p < 0.001, Spearman’s rho r = −0.112).
Conclusion: Given the knowledge gaps identified and the respondents’ dissatisfaction with the knowledge they received, organ donation should be better integrated into curricula and training programs.View less
Chloroplasts serve as cold priming hubs modulating the transcriptional response of Arabidopsis thaliana to a second cold stimulus for several days by postcold accumulation of thylakoid ascorbate peroxidases (tAPX). In an attempt to investigate cross-priming effects of cold on plant pathogen protection, we show here that such a single 24-h cold treatment at 4°C decreased the susceptibility of Arabidopsis to virulent Pseudomonas syringae pv. tomato DC3000 but did not alter resistance against the avirulent P. syringae pv. tomato avRPM1 and P. syringae pv. tomato avrRPS4 strains or the effector-deficient P. syringae pv. tomato strain hrcC−. The effect of cold priming against P. syringae pv. tomato was active immediately after cold exposure and memorized for at least 5 days. The priming benefit was established independent of the immune regulator Enhanced Disease Susceptibility 1 (EDS1) or activation of the immune-related genes NHL10, FRK1, ICS1 and PR1 but required thylakoid-bound as well as stromal ascorbate peroxidase activities because the effect was absent or weak in corresponding knock-out-lines. Suppression of tAPX postcold regulation in a conditional-inducible tAPX-RNAi line led to increased bacterial growth numbers. This highlights that the plant immune system benefits from postcold regeneration of the protective chloroplast peroxidase system.View less
We introduce a hybrid projection scheme that combines linear Mori projection and conditional Zwanzig projection techniques and use it to derive a generalized Langevin equation (GLE) for a general interacting many-body system. The resulting GLE includes (i) explicitly the potential of mean force (PMF) that describes the equilibrium distribution of the system in the chosen space of reaction coordinates, (ii) a random force term that explicitly depends on the initial state of the system, and (iii) a memory friction contribution that splits into two parts: a part that is linear in the past reaction-coordinate velocity and a part that is in general nonlinear in the past reaction coordinates but does not depend on velocities. Our hybrid scheme thus combines all desirable properties of the Zwanzig and Mori projection schemes. The nonlinear memory friction contribution is shown to be related to correlations between the reaction-coordinate velocity and the random force. We present a numerical method to compute all parameters of our GLE, in particular the nonlinear memory friction function and the random force distribution, from a trajectory in reaction coordinate space. We apply our method on the dihedral-angle dynamics of a butane molecule in water obtained from atomistic molecular dynamics simulations. For this example, we demonstrate that nonlinear memory friction is present and that the random force exhibits significant non-Gaussian corrections. We also present the derivation of the GLE for multidimensional reaction coordinates that are general functions of all positions in the phase-space of the underlying many-body system; this corresponds to a systematic coarse-graining procedure that preserves not only the correct equilibrium behavior but also the correct dynamics of the coarse-grained system.View less
Targeting pancreatic lipase and α-amylase by digestion-derived fractions of ethanolic-aqueous (60%, v/v) extract from Cornus mas fruit (CM) in relation to the control and prevention of metabolic disorders, including diabetes, was the first purpose of the present study. Taking into consideration the significance of bio-accessibility of compounds, we attempted to identify metabolites of CM after gastrointestinal digestion in vitro, as well as their kinetic changes upon gut microbiota treatment. The digestion of extract was simulated with digestive enzymes in vitro and human gut microbiota ex vivo (1 h, 3 h, 6 h, 24 h), followed by chromatographic analysis using the UHPLC-DAD-MSn method. The effect of fractions from gastrointestinal digestion in vitro on the activity of pancreatic lipase and α-amylase was studied with fluorescence-based assays. The gastric and intestinal fractions obtained after in vitro digestion of CM inhibited pancreatic lipase and α-amylase. Loganic acid as the main constituent of the extract was digested in the experimental conditions in contrast to cornuside. It was found in most analytes such as salivary, gastric, intestinal, and even colon (fecal slurry, FS) fractions. In all fractions, kaempferol hexoside and reduced forms of kaempferol, such as aromadendrin, and benzoic acid were assigned. The signals of tannins were detected in all fractions. Cornusiin A was tentatively assigned in the gastric fraction. The metabolites originating from kinetic analytes have been classified mainly as phenolic acids, hydrolyzable tannins, and flavonoids. Phenolic acids (protocatechuic acid, gallic acid), tannins (digalloylglucose, tri-O-galloyl-β-D-glucose), and flavonoids (aromadendrin, dihydroquercetin) were detected in the late phases of digestion in fecal slurry suspension. Cornuside was found in FS analyte after 3 h incubation. It was not detected in the samples after 6 and 24 h incubation with FS. In conclusion, cornuside, aromadendrin, and phenolic acids may be potentially bio-accessible compounds of CM. The presence of plants’ secondary metabolites in the intestinal fractions allows us to indicate them as responsible for decreasing glucose and lipid absorption.View less
Kappa-opioid receptor (KOR) antagonists are promising innovative therapeutics for the treatment of the central nervous system (CNS) disorders. The new scaffold opioid ligand, Compound A, was originally found as a mu-opioid receptor (MOR) antagonist but its binding/selectivity and activation profile at the KOR and delta-opioid receptor (DOR) remain elusive. In this study, we present an in vitro, in vivo and in silico characterization of Compound A by revealing this ligand as a KOR antagonist in vitro and in vivo. In the radioligand competitive binding assay, Compound A bound at the human KOR, albeit with moderate affinity, but with increased affinity than to the human MOR and without specific binding at the human DOR, thus displaying a preferential KOR selectivity profile. Following subcutaneous administration in mice, Compound A effectively reverse the antinociceptive effects of the prototypical KOR agonist, U50,488. In silico investigations were carried out to assess the structural determinants responsible for opioid receptor subtype selectivity of Compound A. Molecular docking, molecular dynamics simulations and dynamic pharmacophore (dynophore) generation revealed differences in the stabilization of the chlorophenyl moiety of Compound A within the opioid receptor binding pockets, rationalizing the experimentally determined binding affinity values. This new chemotype bears the potential for favorable ADMET properties and holds promise for chemical optimization toward the development of potential therapeutics.View less
An increasing world population along with increasing human needs have raised demand for animal origin products. Moreover, high prices of conventional animal feeds have led to a demand for alternative feedstuff. Food waste can be an alternative feed ingredient. The aim of the present study was to investigate the effect of dietary inclusion of dried hotel residues (DHR) on the growth performance, blood biochemical parameters and meat quality traits in finishing pigs. In each of the 2 trials conducted, 20 castrated male pigs were allotted into 2 treatments. In both trials, control treatment pigs were fed a corn-soybean meal-based diet without hotel residues. In the first trial, a DHR1 treatment contained 100 g DHR1/kg with meat residues (approximately 5%). In the second trial, a DHR2 treatment, contained 80 g DHR2/kg with no meat residues. Average daily feed intake tended to be lower and average daily weight gain was lower in DHR1 compared to control pigs in the first trial, while in the second no differences were detected. However, final body weight, FCR and dressing percentage were not affected in any of the two trials. Minor differences in several meat physical traits, hematological parameters were observed among treatments and trials. In conclusion, the results indicate that the dietary addition of DHR did not affect the feed utilization and the quality of the produced meat; hence, the use of DHR in pig feeding can be supported.View less
Cu-catalyzed 1,3-dipolar cycloaddition of ethyl 2-azidoacetate to iodobuta-1,3-diynes and subsequent Sonogashira cross-coupling were used to synthesize a large series of new triazole-based push–pull chromophores: 4,5-bis(arylethynyl)-1H-1,2,3-triazoles. The study of their optical properties revealed that all molecules have fluorescence properties, the Stokes shift values of which exceed 150 nm. The fluorescent properties of triazoles are easily adjustable depending on the nature of the substituents attached to aryl rings of the arylethynyl moieties at the C4 and C5 atoms of the triazole core. The possibility of 4,5-bis(arylethynyl)-1,2,3-triazoles’ application for labeling was demonstrated using proteins and the HEK293 cell line. The results of an MTT test on two distinct cell lines, HEK293 and HeLa, revealed the low cytotoxicity of 4,5-bis(arylethynyl)triazoles, which makes them promising fluorescent tags for labeling and tracking biomolecules.View less