julilili42/papers huggingface dataset:
Crystallization of 2D Hybrid Organic–Inorganic Perovskites Templated by Conductive Substrates
2021-01-20

Abstract 2D hybrid organic–inorganic perovskites are valued in optoelectronic applications for their tunable bandgap and excellent moisture and irradiation stability. These properties stem from both the chemical composition and crystallinity of the layer formed. Defects in the lattice, impurities, and crystal grain boundaries generally introduce trap states and surface energy pinning, limiting the ultimate performance of the perovskite; hence, an in‐depth understanding of the crystallization process is indispensable. Here, a kinetic and thermodynamic study of 2D perovskite layer crystallization on transparent conductive substrates are provided—fluorine‐doped tin oxide and graphene. Due to markedly different surface structure and chemistry, the two substrates interact differently with the perovskite layer. A time‐resolved grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) is used to monitor the crystallization on the two substrates. Molecular dynamics simulations are employed to explain the experimental data and to rationalize the perovskite layer formation. The findings assist substrate selection based on the required film morphology, revealing the structural dynamics during the crystallization process, thus helping to tackle the technological challenges of structure formation of 2D perovskites for optoelectronic devices.
The Antibiotic Negamycin Crosses the Bacterial Cytoplasmic Membrane by Multiple Routes
2021-01-20

Negamycin is a natural pseudodipeptide antibiotic with promising activity against Gram-negative and Gram-positive bacteria, including Enterobacteriaceae , Pseudomonas aeruginosa , and Staphylococcus aureus , and good efficacy in infection models. It binds to ribosomes with a novel binding mode, stimulating miscoding and inhibiting ribosome translocation.
Finding karstic caves and rockshelters in the Inner Asian mountain corridor using predictive modelling and field survey
2021-01-20

The area of the Inner Asian Mountain Corridor (IAMC) follows the foothills and piedmont zones around the northern limits of Asia’s interior mountains, connecting two important areas for human evolution: the Fergana valley and the Siberian Altai. Prior research has suggested the IAMC may have provided an area of connected refugia from harsh climates during the Pleistocene. To date, this region contains very few secure, dateable Pleistocene sites, but its widely available carbonate units present an opportunity for discovering cave sites, which generally preserve longer sequences and organic remains. Here we present two models for predicting karstic cave and rockshelter features in the Kazakh portion of the IAMC. The 2018 model used a combination of lithological data and unsupervised landform classification, while the 2019 model used feature locations from the results of our 2017–2018 field surveys in a supervised classification using a minimum-distance classifier and morphometric features derived from the ASTER digital elevation model (DEM). We present the results of two seasons of survey using two iterations of the karstic cave models (2018 and 2019), and evaluate their performance during survey. In total, we identified 105 cave and rockshelter features from 2017–2019. We conclude that this model-led approach significantly reduces the target area for foot survey.
Direct Observation of Structural Heterogeneity and Tautomerization of Single Hypericin Molecules
2021-01-20

Tautomerization is a fundamental chemical reaction which involves the relocation of a proton in the reactants. Studying the optical properties of tautomeric species is challenging because of ensemble averaging. Many molecules, such as porphines, porphycenes, or phenanthroperylene quinones, exhibit a reorientation of the transition dipole moment (TDM) during tautomerization, which can be directly observed in single-molecule experiments. Here, we study single hypericin molecules, which is a prominent phenanthroperylene quinone showing antiviral, antidepressive, and photodynamical properties. Observing abrupt flipping of the image pattern combined with time-dependent density functional theory calculations allows drawing conclusions about the coexistence of four tautomers and their conversion path. This approach allows the unambiguous assignment of a TDM orientation to a specific tautomer and enables the determination of the chemical structure <i>in situ</i>. Our approach can be applied to other molecules showing TDM reorientation during tautomerization, helping to gain a deeper understanding of this important process.
Are Women Really Less Competitive Than Men? Career Duration in Nordic and Alpine Skiing
2021-01-20

Do women shy away from competition while men compete too much? The available, mostly experimental evidence generally supports these assumptions. However, in contrast to laboratory settings, labor markets do not have random assignment of workers. Instead, individuals—professional athletes and corporate executives—self-select into specific occupations. Using data from Alpine and Nordic skiing over 52 and 37 years respectively, we show that career length of men and women is virtually identical. Thus, when adequately controlling for self-selection into a highly competitive environment, differences between men and women with respect to competitiveness completely disappear.
Coupling saturated and unsaturated flow: comparing the iterativeand the non-iterative approach
2021-01-20

Abstract. Fully integrated three dimensional (3D) physically based hydrologic models usually require many computational resources. For many applications, simplified models can be a cost effective alternative. 3D models of subsurface flow are often simplified by coupling a 2D groundwater model with multiple 1D models for the unsaturated zone. The crucial part of such models is the coupling between the two model compartments. In this work we compare two approaches for the coupling. One is iterative and the 1D unsaturated zone models go down to the impervious bottom of the aquifer and the other one is non-iterative and uses a moving lower boundary for the unsaturated zone. In this context we also propose a new way of treating the specific yield, which plays a crucial role in linking the unsaturated and the groundwater model. Both models are applied to three test cases with increasing complexity and analyzed in terms of accuracy and speed compared to fully integrated model runs. The non-iterative approach is faster while the iterative approach is more accurate and robust. Besides, for the iterative coupling method a calibration of the specific yield is not needed.
Warum und wozu gibt es Ämter in der Kirche?
2021-01-20

Abstract The Epistle to the Ephesians, a pseudepigraphic letter, is one of the few texts in the New Testament in which fundamental insight into the development of the offices in the church can be detected. Why are offices necessary as the early communities regarded themselves as charismatic communities? What is their function? Whom do they serve? This article expounds an exegesis of Eph 4,7–16 and makes it clear how important it is to put forward convincing christological reasoning to support a theology of the offices in the church today.
Evaluation of Functional Recovery in Rats After Median Nerve Resection and Autograft Repair Using Computerized Gait Analysis
2021-01-21

Computerized gait analysis is a common evaluation method in rat models of hind limb nerve injuries, but its use remains unpublished in models of segmental nerve injury of the forelimb. It was the aim of this work to investigate if computerized gait analysis is a feasible evaluation method in a rat model of segmental median nerve injury and autograft repair. Ten male Lewis rats underwent 7-mm resection of the right median nerve with immediate autograft repair. The left median nerve was resected without repair and served as an internal control. Animals were assessed for 12 weeks after surgery via CatWalk (CW) gait analysis every 2 weeks. Evaluation of motor recovery by means of the grasping test was performed weekly while electrophysiological measurements were performed at the end of the observation period. CW data were correlated with grasping strength at each post-operative time point. CW data were also correlated with electrophysiology using linear regression analysis. Principal component analysis was performed to identify clusters of outcome metrics. Recovery of motor function was observable 4 weeks after surgery, but grasping strength was significantly reduced ( p &amp;lt; 0.01) compared to baseline values until post-operative week 6. In terms of sensory recovery, the pain-related parameter Duty Cycle showed significant ( p &amp;lt; 0.05) recovery starting from post-operative week 8. The Print Area of the right paw was significantly ( p &amp;lt; 0.05) increased compared to the left side starting from post-operative week 10. Various parameters of gait correlated significantly ( p &amp;lt; 0.05) with mean and maximum grasping strength. However, only Stand Index showed a significant correlation with compound muscle action potential (CMAP) amplitude ( p &amp;lt; 0.05). With this work, we prove that computerized gait analysis is a valid and feasible method to evaluate functional recovery after autograft repair of the rat median nerve. We were able to identify parameters such as Print Area, Duty Cycle, and Stand Index, which allow assessment of nerve regeneration. The course of these parameters following nerve resection without repair was also assessed. Additionally, external paw rotation was identified as a valid parameter to evaluate motor reinnervation. In summary, computerized gait analysis is a valuable additional tool to study nerve regeneration in rats with median nerve injury.
Human subjects exploit a cognitive map for credit assignment
2021-01-21

Significance Credit assignment (CA) to relevant actions poses a challenge because one is often flooded with reward feedback that is not easily causally attributed. We addressed this issue in a reinforcement learning framework wherein choice is mutually controlled by value-caching model-free (MF) and prospective, planning model-based (MB) systems. We find knowledge, stored in a cognitive map, filters exuberant reward feedback to guide CA in both systems but based on different attribute dimensions. In MF, CA is boosted for outcomes that are relevant (causally related) to one’s choice, whereas in MB, CA is enhanced for outcomes that attract greater attention during the deliberation process that preceded a choice. We consider normative and mechanistic accounts, including how these processes are instrumental to adaptation.
Behavioral and Developmental Changes in Brown Trout After Exposure to the Antidepressant Venlafaxine
2021-01-21

During the last decades, depression has been diagnosed in increasing numbers, accompanied by rising prescription rates of antidepressants. Concomitantly, these pharmaceuticals are frequently detected in surface waters. Serotonin and noradrenalin reuptake inhibitors such as venlafaxine form the second largest group of antidepressants worldwide, and venlafaxine is the second most prescribed antidepressant in Germany. As drug targets are evolutionary highly conserved, venlafaxine can potentially change not only behavior and related physiological processes in humans but also in non-target species, especially aquatic organisms. In order to test this hypothesis for fish, we exposed brown trout larvae and juveniles to venlafaxine at concentrations ranging from 1 to 1,000 μg/L. Larvae were exposed for 5 months from the eyed ova stage until 8 weeks post yolk-sac consumption at 7 and 11 °C. Juveniles were exposed for 4 weeks at 7 °C. Mortality, weight, length, behavior during exposure and behavior in a stressful environment were recorded in both experiments. For larvae, additionally, hatching rate and heart rate were analyzed. In juvenile fish, tissue cortisol levels were determined. Our results clearly showed, that brown trout, irrespective of their life stage, change their behavior when being exposed to venlafaxine: During exposure, venlafaxine at 7 °C caused larvae to sojourn in the upper part of the aquaria for a longer time, with a lowest observed effect concentration of 100 μg/L. In a stressful environment with limited space, fish exposed to ≥10 μg/L venlafaxine were less active than controls. Furthermore, venlafaxine reduced the growth of larvae (length at ≥10 μg/L, weight at 1 mg/L) and their survival after 5 months (at 1 mg/L). Hatching rate and heart rate of larvae as well as tissue cortisol concentration of juveniles were not affected by venlafaxine treatment.
IFNβ1 secreted by breast cancer cells undergoing chemotherapy reprograms stromal fibroblasts to support tumour growth after treatment
2021-01-21

Chemotherapy (CTX) remains the standard of care for most aggressive tumours, including breast cancer (BC). In BC chemotherapeutic regimens, the maximum tolerated dose of cytotoxic drugs is administered at regular intervals, and cancer cells can re‐grow or adapt during the resting periods between cycles. The impact of the tumour microenvironment on the fate of cancer cells after CTX remains poorly understood. Here, we show that paracrine signalling from CTX‐treated cancer cells to stromal fibroblasts can drive cancer cell recovery after cytotoxic drug withdrawal. Interferon β1 (IFNβ1) secreted by cancer cells following treatment with high doses of CTX instigates the acquisition of an anti‐viral state in stromal fibroblasts. This state is associated with an expression pattern here referred to as interferon signature (IFNS), which encompasses several interferon‐stimulated genes (ISGs), including numerous pro‐inflammatory cytokine genes. This crosstalk is an important driver of the expansion of BC cells after CTX, and IFNβ1 blockade in tumour cells abrogated their fibroblast‐dependent recovery potential. Analysis of human breast carcinomas supported a link between CTX‐induced IFNS in tumour stroma and poor response to CTX treatment. First, IFNβ1 expression in human breast carcinomas was found to inversely correlate with recurrence free survival (RFS). Second, using laser capture microdissection data sets, we show a higher expression of IFNS in the stromal tumour compartment compared to the epithelial one and this signature was found to be more prominent in more aggressive subtypes of BC (basal‐like), pointing to a pro‐tumorigenic role of this signature. Moreover, IFNS was associated with higher recurrence rates and a worse outcome in BC patients. Our study unravels a novel form of paracrine communication between cancer cells and fibroblasts that ultimately results in CTX resistance. Targeting this axis has the potential to improve CTX outcomes in patients with BC.
A histological study of the song system of the carrion crow (Corvus corone)
2021-01-21

The song system of songbirds (oscines) is one of the best studied neuroethological model systems. So far, it has been treated as a relatively constrained sensorimotor system. Songbirds such as crows, however, are also known for their capability to cognitively control their audio-vocal system. Yet, the neuroanatomy of the corvid song system has never been explored systematically. We aim to close this scientific gap by presenting a stereotactic investigation of the extended song system of the carrion crow (Corvus corone), an oscine songbird of the corvid family that has become an interesting model system for cognitive neuroscience. In order to identify and delineate the song nuclei, the ascending auditory nuclei, and the descending vocal-motor nuclei, four stains were applied. In addition to the classical Nissl-, myelin-, and a combination of Nissl-and-myelin staining, staining for tyrosine hydroxylase was used to reveal the distribution of catecholaminergic neurons (dopaminergic, noradrenergic, and adrenergic) in the song system. We show that the crow brain contains the important song-related nuclei, including auditory input and motor output structures, and map them throughout the brain. Fiber-stained sections reveal putative connection patterns between the crow's song nuclei comparable to other songbirds.
Expression of E8^E2 Is Required for Wart Formation by Mouse Papillomavirus 1 In Vivo
2021-01-21

HPV encodes an E8^E2 protein which acts as repressors of viral gene expression and genome replication. In cultured normal keratinocytes, E8^E2 is essential for long-term episomal maintenance of HPV 31 (HPV31) genomes, but not for that of HPV16.
B3N3-Substituted Nanographene Molecules: Influence of Planarity on the Electronic Structure and Molecular Orientation in Thin Films
2021-01-21

BN-substituted nanographene molecules are currently the focus of interest because the substitution of C–C units by isoelectronic and isosteric BN units is a straightforward way of changing the electronic properties of nanographenes. Another parameter influencing the electronic structure, orientation, and growth mode of nanographene molecules is the planarity of the molecules. The electronic structure, orientation, and film growth of the related molecules B3N3-hexa-peri-hexabenzocoronene (BN-HBC), B3N3-hexabenzotriphenylen (BN-HBP), and B3N3-hexabenzotriphenylen-2H (BN-HBP-2H) on Au(111) have been studied by photoelectron spectroscopy (PES), X-ray absorption spectroscopy (XAS), atomic force microscopy (AFM), and scanning tunneling microscopy (STM). XA spectra were simulated using time-dependent density functional theory (TDDFT). The calculation of C 1s excitation spectra allows the assignment of individual transitions and the examination of the degree of cross-linking between biphenyl units. It is shown that the planarity of the molecules distinctly affects the electronic structure, interface properties, as well as growth in thin films.
CX3CR1 Depletion Promotes the Formation of Platelet–Neutrophil Complexes and Aggravates Acute Peritonitis
2021-01-21

ABSTRACT Background: Peritonitis is a life-threatening condition on intensive care units. Inflammatory cytokines and their receptors drive inflammation, cause the formation of platelet–neutrophil complexes (PNCs) and therefore the migration of polymorphonuclear neutrophils (PMNs) into the inflamed tissue. CX 3 CL1 and its receptor CX 3 CR1 are expressed in various cells, and promote inflammation. The shedding of CX 3 CL1 is mediated by a disintegrin and metalloprotease (ADAM) 17. The role of the CX 3 CL1-CX 3 CR1 axis in acute peritonitis remains elusive. Methods: In zymosan-induced peritonitis, we determined the formation of PNCs in the blood and the expression of PNC-related molecules on PNCs. PMN migration into the peritoneal lavage was evaluated in wild-type (WT) and CX 3 CR1-/- animals by flow cytometry. CX 3 CL1, ADAM17, and the expression of various inflammatory cytokines were detected. Further, we determined the inflammation-associated activation of the intracellular transcription factor extracellular signal-regulated kinase 1/2 (ERK1/2) by Western blot. Results: The PMN accumulation in the peritoneal lavage and the PNC formation in the circulation were significantly raised in CX 3 CR1-/- compared with WT animals. The expression of PNC-related selectins on PNCs was significantly increased in the blood of CX 3 CR1-/- animals, as well as cytokine levels. Further, we observed an increased activation of ERK1/2 and elevated ADAM17 expression in CX 3 CR1-/- during acute inflammation. Selective ERK1/2 inhibition ameliorated inflammation-related increased ADAM17 expression. Conclusions: A CX 3 CR1 deficiency raised the release of inflammatory cytokines and increased the PNC formation respectively PMN migration via an elevated ERK1/2 activation during acute peritonitis. Further, we observed a link between the ERK1/2 activation and an elevated ADAM17 expression on PNC-related platelets and PMNs during inflammation. Our data thus illustrate a crucial role of CX 3 CR1 on the formation of PNCs and regulating inflammation in acute peritonitis.
Slow oscillation-spindle coupling strength predicts real-life gross-motor learning in adolescents and adults
2021-01-21

ABSTRACT Previously, we demonstrated that precise temporal coordination between slow oscillations (SO) and sleep spindles indexes declarative memory network development (Hahn et al., 2020). However, it is unclear whether these findings in the declarative memory domain also apply in the motor memory domain. Here, we compared adolescents and adults learning juggling, a real-life gross-motor task. We found that improved task proficiency after sleep lead to an attenuation of the learning curve, suggesting a dynamic juggling learning process. We employed individualized cross-frequency coupling analyses to reduce inter and intra-group variability of oscillatory features. Advancing our previous findings, we identified a more precise SO-spindle coupling in adults compared to adolescents. Importantly, coupling precision over motor areas predicted overnight changes in task proficiency and learning curve, indicating that SO-spindle coupling is sensitive to the dynamic motor learning process. Our results provide first evidence that regionally specific precisely coupled sleep oscillations support gross-motor learning.
CLOUDING OF INTRAOCULAR SILICONE OIL IN THE ABSENCE OF EMULSIFICATION
2021-01-21

Purpose: To describe intraocular clouding of silicone oil in the absence of emulsification. Methods: Retrospective observational case series of patients who received silicone oil injections and developed silicone oil discoloration without emulsification after pars plana vitrectomy. Clinical examinations and physicochemical analyses were performed to find out the common cause for the opaque oil. Results: Thirteen patients developed silicone oil discoloration after pars plana vitrectomy. It could be traced down that all patients had received silicone oil from one respective production batch. The silicone oil was removed as soon as possible after the changes were detected (range, 8–16 weeks). Gas chromatography flame ionization detector, size exclusion chromatography, and high-performance liquid chromatography analysis showed the absence of low-molecular-weight compounds in the opaque lot. Thermogravimetric analysis revealed the opaque lot was more temperature stable. During the follow-ups, no obvious retinal toxicity could be observed and best-recorded visual acuity improved considerably in 12 patients and was only limited by the underlying retinal pathologic conditions. Conclusion: This is the first report on opacification of intraocular silicone oil without emulsification. This discoloration of silicone oil may disturb vision and prevent proper fundus examination; however, it seems to be a nontoxic phenomenon without serious long-term consequences.
Chapter 6. Exploring an approach for modelling lectal coherence
2021-01-21

This paper presents an exploratory approach for modelling and measuring the concept of lectal coherence – the logical unity of idiolects, dialects, sociolects, regiolects, etc. – and how coherence can shape variation and foster or constrain language change. Twelve phonological and morpho-syntactic features of Central Swabian, a variety of German spoken in the southwestern part of the country, exemplify differences in lectal coherence across two communities (Stuttgart and Schwäbisch Gmünd) and two points in time (1982 and 2017). Following the traditional quantitative variationist approach pioneered by Labov (1963), coupled with Guttman-like (1944) implicational scaling, and drawing on concepts from the order and lattice theory of mathematics (Partee, Ter Meulen, and Wall 1993), the proposed model brings together three views of coherence – covariation, implicational scaling, and lattice theory – to demonstrate a holistic approach to the study of linguistic coherence and its influence on language change. The research question this investigation explores is: does lectal coherence enable or inhibit linguistic change? The hypothesis tested in this study is that more coherent lects are less vulnerable to change and convergence while less coherent lects are more susceptible.