julilili42/papers huggingface dataset:
The Role of Different Lanthanoid and Transition Metals in Perovskite Gas Sensors
2021-12-18

Beginning with LaFeO3, a prominent perovskite-structured material used in the field of gas sensing, various perovskite-structured materials were prepared using sol–gel technique. The composition was systematically modified by replacing La with Sm and Gd, or Fe with Cr, Mn, Co, and Ni. The materials synthesized are comparable in grain size and morphology. DC resistance measurements performed on gas sensors reveal Fe-based compounds solely demonstrated effective sensing performance of acetylene and ethylene. Operando diffuse reflectance infrared Fourier transform spectroscopy shows the sensing mechanism is dependent on semiconductor properties of such materials, and that surface reactivity plays a key role in the sensing response. The replacement of A-site with various lanthanoid elements conserves surface reactivity of AFeO3, while changes at the B-site of LaBO3 lead to alterations in sensor surface chemistry.
Diel Protein Regulation of Marine Picoplanktonic Communities Assessed by Metaproteomics
2021-12-18

The diel cycle is of enormous biological importance in that it imposes temporal structure on ecosystem productivity. In the world’s oceans, microorganisms form complex communities that carry out about half of photosynthesis and the bulk of life-sustaining nutrient cycling. How the functioning of microbial communities is impacted by day and night periods in surface seawater remains to be elucidated. In this study, we compared the day and night metaproteomes of the free-living and the particle-attached bacterial fractions from picoplanktonic communities sampled from the northwest Mediterranean Sea surface. Our results showed similar taxonomic distribution of free-living and particle-attached bacterial populations, with Alphaproteobacteria, Gammaproteobacteria and Cyanobacteria being the most active members. Comparison of the day and night metaproteomes revealed that free-living and particle-attached bacteria were more active during the day and the night, respectively. Interestingly, protein diel variations were observed in the photoautotroph Synechococcales and in (photo)-heterotrophic bacteria such as Flavobacteriales, Pelagibacterales and Rhodobacterales. Moreover, our data demonstrated that diel cycle impacts light-dependent processes such as photosynthesis and UV-stress response in Synechococcales and Rhodobacterales, respectively, while the protein regulation from the ubiquitous Pelagibacterales remained stable over time. This study unravels, for the first time, the diel variation in the protein expression of major free-living and particle-attached microbial players at the sea surface, totaling an analysis of eight metaproteomes.
Understanding for Which Students and Classes a Socio-Ecological Aggression Prevention Program Works Best: Testing Individual Student and Class Level Moderators
2021-12-18

Abstract School-based aggression prevention programs may not be equally effective for all students and classes, depending on student and class characteristics. This study investigated moderators of a cluster randomized controlled socio-ecological aggression prevention program’s effectiveness (change from pretest to posttest, sample: 2,042 preadolescents, mean age = 11.7 years, SD = 0.09, 47.6% girls) and sustainability (change from posttest to follow-up test, sample: 659 preadolescents, mean age = 12.7 years, SD = 0.08, 47.9% girls). The program worked better in multicultural classes, as greater ethnic diversity strengthened the program’s effectiveness and sustainability. Moderating effects of a positive social class climate and higher baseline levels of aggressive behavior and victimization were also found. These results advance socio-ecological theorizing and can help develop more contextualized interventions.
Facilitating open science practices for research syntheses: PreregRS guides preregistration
2021-12-18

Abstract Researchers increasingly engage in adopting open science practices in the field of research syntheses, such as preregistration. Preregistration is a central open science practice in empirical research to enhance transparency in the research process and it gains steady adoption in the context of conducting research synthesis. From an interdisciplinary perspective, frameworks and particularly templates are lacking which support researchers preparing a preregistration. To this end, we introduce preregRS, a template to guide researchers across disciplines through the process of preregistering research syntheses. We utilized an R Markdown template file to provide a framework that structures the process of preparing a preregistration. Researchers can write up the preregistration using the template file similar to filling out a form, with the template providing additional hints and further information for the decisions along the framework. We integrated the R Markdown template in an R package for easy installation and use, but also provide a browser‐based option for users granting low‐barrier access. PreregRS constitutes a first step to facilitate and support preregistration with research syntheses for all disciplines. It further adds to establishing open science practices in conducting research syntheses.
Porphyrin Functionalization of CsPbBrI2/SiO2 Core–Shell Nanocrystals Enhances the Stability and Efficiency in Electroluminescent Devices
2021-12-19

Abstract Surface ligand exchange on all‐inorganic perovskite nanocrystals of composition CsPbBrI 2 reveals improved optoelectronic properties due to strong interactions of the nanocrystal with mono‐functionalized porphyrin derivatives. The interaction is verified experimentally with an array of spectroscopic measurements as well as computationally by exploiting density functional theory calculations. The enhanced current efficiency is attributed to a lowering of the charging energy by a factor of 2–3, which is determined by combining electronic and optical measurements on a selection of ligands. The coupled organic–inorganic nanostructures are successfully deployed in a light‐emitting device with higher current efficacy and improved charge carrier balance, magnifying the efficiency almost fivefold compared to the native ligand.
Finding genetically-supported drug targets for Parkinson’s disease using Mendelian randomization of the druggable genome
2021-12-20

Abstract Parkinson’s disease is a neurodegenerative movement disorder that currently has no disease-modifying treatment, partly owing to inefficiencies in drug target identification and validation. We use Mendelian randomization to investigate over 3,000 genes that encode druggable proteins and predict their efficacy as drug targets for Parkinson’s disease. We use expression and protein quantitative trait loci to mimic exposure to medications, and we examine the causal effect on Parkinson’s disease risk (in two large cohorts), age at onset and progression. We propose 23 drug-targeting mechanisms for Parkinson’s disease, including four possible drug repurposing opportunities and two drugs which may increase Parkinson’s disease risk. Of these, we put forward six drug targets with the strongest Mendelian randomization evidence. There is remarkably little overlap between our drug targets to reduce Parkinson’s disease risk versus progression, suggesting different molecular mechanisms. Drugs with genetic support are considerably more likely to succeed in clinical trials, and we provide compelling genetic evidence and an analysis pipeline to prioritise Parkinson’s disease drug development.
Limitations of Muscle Ultrasound Shear Wave Elastography for Clinical Routine—Positioning and Muscle Selection
2021-12-20

Shear wave elastography (SWE) is a clinical ultrasound imaging modality that enables non-invasive estimation of tissue elasticity. However, various methodological factors—such as vendor-specific implementations of SWE, mechanical anisotropy of tissue, varying anatomical position of muscle and changes in elasticity due to passive muscle stretch—can confound muscle SWE measurements and increase their variability. A measurement protocol with a low variability of reference measurements in healthy subjects is desirable to facilitate diagnostic conclusions on an individual-patient level. Here, we present data from 52 healthy volunteers in the areas of: (1) Characterizing different limb and truncal muscles in terms of inter-subject variability of SWE measurements. Superficial muscles with little pennation, such as biceps brachii, exhibit the lowest variability whereas paravertebral muscles show the highest. (2) Comparing two protocols with different limb positioning in a trade-off between examination convenience and SWE measurement variability. Repositioning to achieve low passive extension of each muscle results in the lowest SWE variability. (3) Providing SWE shear wave velocity (SWV) reference values for a specific ultrasound machine/transducer setup (Canon Aplio i800, 18 MHz probe) for a number of muscles and two positioning protocols. We argue that methodological issues limit the current clinical applicability of muscle SWE.
Improved targeting of human CD4+ T cells by nanobody-modified AAV2 gene therapy vectors
2021-12-20

Adeno-associated viruses (AAV) are considered non-pathogenic in humans, and thus have been developed into powerful vector platforms for in vivo gene therapy. Although the various AAV serotypes display broad tropism, frequently infecting multiple tissues and cell types, vectors for specific and efficient targeting of human CD4 + T lymphocytes are largely missing. In fact, a substantial translational bottleneck exists in the field of therapeutic gene transfer that would require in vivo delivery into peripheral disease-related lymphocytes for subsequent genome editing. To solve this issue, capsid modification for retargeting AAV tropism, and in turn improving vector potency, is considered a promising strategy. Here, we genetically modified the minor AAV2 capsid proteins, VP1 and VP2, with a set of novel nanobodies with high-affinity for the human CD4 receptor. These novel vector variants demonstrated improved targeting of human CD4 + cells, including primary human peripheral blood mononuclear cells (PBMC) and purified human CD4 + T lymphocytes. Thus, the technical approach presented here provides a promising strategy for developing specific gene therapy vectors, particularly targeting disease-related peripheral blood CD4 + leukocytes.
Biparatopic nanobodies protect mice from lethal challenge with SARS‐CoV‐2 variants of concern
2021-12-20

The ongoing COVID-19 pandemic and the emergence of new SARS-CoV-2 variants of concern (VOCs) requires continued development of effective therapeutics. Recently, we identified high-affinity neutralizing nanobodies (Nbs) specific for the receptor-binding domain (RBD) of SARS-CoV-2. Taking advantage of detailed epitope mapping, we generate two biparatopic Nbs (bipNbs) targeting a conserved epitope outside and two different epitopes inside the RBD:ACE2 interface. Both bipNbs bind all currently circulating VOCs with high affinities and are capable to neutralize cellular infection with VOC B.1.351 (Beta) and B.1.617.2 (Delta) in vitro. To assess if the bipNbs NM1267 and NM1268 confer protection against SARS-CoV-2 infection in vivo, human ACE2 transgenic mice are treated intranasally before infection with a lethal dose of SARS-CoV-2 B.1, B.1.351 (Beta) or B.1.617.2 (Delta). Nb-treated mice show significantly reduced disease progression and increased survival rates. Histopathological analyses further reveal a drastically reduced viral load and inflammatory response in lungs. These data suggest that both bipNbs are broadly active against a variety of emerging SARS-CoV-2 VOCs and represent easily applicable drug candidates.
Course of lactate, pH and base excess for prediction of mortality in medical intensive care patients
2021-12-20

Introduction As base excess had shown superiority over lactate as a prognostic parameter in intensive care unit (ICU) surgical patients we aimed to evaluate course of lactate, base excess and pH for prediction of mortality of medical ICU patients. Materials and methods For lactate, pH and base excess, values at the admission to ICU, at 24 ± 4 hours, maximum or minimum in the first 24 hours and in 24–48 hours after admission were collected from all patients admitted to the Medical ICU of the University Hospital Tübingen between January 2016 until December 2018 (N = 4067 at admission, N = 1715 with ICU treatment &gt; 48 h) and investigated for prediction of in-hospital-mortality. Results Mortality was 22% and significantly correlated with all evaluated parameters. Strongest predictors of mortality determined by ROC were maximum lactate in 24 h (AUROC 0.74, cut off 2.7 mmol/L, hazard ratio of risk group with value &gt; cut off 3.20) and minimum pH in 24 h (AUROC 0.71, cut off 7.31, hazard ratio for risk group 2.94). Kaplan Meier Curves stratified across these cut offs showed early and clear separation. Hazard ratios per standard deviation increase were highest for maximum lactate in 24 h (HR 1.65), minimum base excess in 24 h (HR 1.56) and minimum pH in 24 h (HR 0.75). Conclusion Lactate, pH and base excess were all suitable predictors of mortality in internal ICU patients, with maximum / minimum values in 24 and 24–48 h after admission altogether stronger predictors than values at admission. Base excess and pH were not superior to lactate for prediction of mortality.
Microstructure, micro-inclusions, and mineralogy along the EGRIP ice core – Part 1: Localisation of inclusions and deformation patterns
2021-12-20

Abstract. Impurities deposited in polar ice enable the reconstruction of the atmospheric aerosol concentration of the past. At the same time they impact the physical properties of the ice itself such as its deformation behaviour. Impurities are thought to enhance ice deformation, but observations are ambiguous due to a shortage of comprehensive microstructural analyses. For the first time, we systematically analyse micro-inclusions in polar fast flowing ice, i.e. from the East Greenland Ice Core Project ice core drilled through the Northeast Greenland Ice Stream. In direct relation to the inclusions we derive the crystal preferred orientation, fabric, grain size, and microstructural features at 10 depths, covering the Holocene and Late Glacial. We use optical microscopy to create microstructure maps to analyse the in situ locations of inclusions in the polycrystalline, solid ice samples. Micro-inclusions are more variable in spatial distribution than previously observed and show various distributional patterns ranging from centimetre-thick layers to clusters and solitary particles, independent of depth. In half of all samples, micro-inclusions are more often located at or close to the grain boundaries by a slight margin (in the areas occupied by grain boundaries). Throughout all samples we find strong indications of dynamic recrystallisation, such as grain islands, bulging grains, and different types of sub-grain boundaries. We discuss the spatial variability in micro-inclusions, the link between spatial variability and mineralogy, and possible effects on the microstructure and deformation behaviour of the ice. Our results emphasise the need for holistic approaches in future studies, combining microstructure and impurity analysis.
Assessment of styrene‐divinylbenzene polymer (PPL) solid‐phase extraction and non‐targeted tandem mass spectrometry for the analysis of xenobiotics in seawater
2021-12-20

Abstract Anthropogenic imprints have become a fundamental part of most ecosystems. Our chemical footprint is often detected using targeted approaches, whereas xenobiotics are embedded within the large pool of dissolved metabolites, altered by biotic and abiotic mechanisms. Thus, it is necessary to simultaneously study anthropogenic signals entwined with the variety of organic signatures that exist in aquatic environments. However, methods for non‐targeted analysis of natural metabolites are not always well suited for the analysis of pollutants. Here, we report the reassessment of styrene‐divinylbenzene polymer‐based Priority PolLutant (PPL) solid‐phase extraction (PPL‐SPE), which is typically used to extract marine dissolved organic matter (DOM) for biogeochemical studies, to analyze a set of xenobiotics commonly observed in coastal North Pacific seawater. After PPL extraction and analysis by nontargeted liquid chromatography tandem mass spectrometry (LC–MS/MS), we successfully detected 23 out of 25 selected pharmaceuticals, personal care products, biocides, perfluorocarbons, and polymer additives in a complex marine DOM sample using positive and negative electrospray ionization. We tested two pH conditions to mimic typical marine DOM extraction studies and found mean recovery rates of xenobiotics were approximately 10% higher in seawater pH (pH ~ 8) than in acidified samples (pH ~ 2) for both negative and positive modes, although overall, mean recovery rates were 10% lower in negative mode. Our results indicate that PPL‐SPE in combination with non‐targeted LC–MS/MS is capable of capturing the tested set of xenobiotics, thus allowing the repurposing of biogeochemical sampling strategies as well as existing DOM samples and MS data for the subsequent assessment of anthropogenic impacts in marine environments.
Impact of Parallel Topical Treatment with Nadifloxacin and Adapalene on Acne Vulgaris Severity and Quality of Life: A Prospective, Uncontrolled, Multicentric, Noninterventional Study
2021-12-20

&lt;b&gt;&lt;i&gt;Introduction:&lt;/i&gt;&lt;/b&gt; Daily parallel application of adapalene and nadifloxacin has been determined to be effective and well tolerated in patients with acne vulgaris in randomized, controlled clinical studies. Here, the authors report the results from a large, prospective, uncontrolled, multicentric, noninterventional study under real-life conditions in Germany. The effect of treatment on acne severity, safety, and, for the first time, health-related quality of life (HRQoL) was investigated. &lt;b&gt;&lt;i&gt;Methods:&lt;/i&gt;&lt;/b&gt; Of the 292 patients (safety collective: 231 adults, 61 adolescents) who had at least grade 4 acne vulgaris on the face as per the Leeds Revised Acne Grading (LRAG), 273 (efficacy collective: 213 adults, 60 adolescents) were treated with adapalene 0.1% cream or gel and nadifloxacin 1% cream for the defined minimum of 28 days. Patients were evaluated for acne severity, acne-related facial symptoms, HRQoL, overall assessment of therapy, and safety. &lt;b&gt;&lt;i&gt;Results:&lt;/i&gt;&lt;/b&gt; After the median treatment duration of 37 and 38 days (adults and adolescents, respectively), 93.4% and 85.0% of adults and adolescents, respectively, exhibited a sustained decrease in acne severity. The LRAG decreased by at least 3 scores in 29.1% and 24.6% of female and male adults, respectively. HRQoL improved in 67.9% and 63.5% of adults and adolescents, respectively (median improvement in the Dermatology Life Quality Index scores per patient of 3.0 [female adults], 1.0 [male adults], and 2.0 for all adolescents in the Children’s Dermatology Life Quality Index). Female adults were more impaired in terms of HRQoL compared to male adults. The 2 best overall efficacy ratings were provided by physicians in 79.3% and 69.5% and by patients in 68.5% and 58.3% of adult and adolescent cases, respectively. The treatment was well tolerated, as reflected in the low number of 9 mild adverse events (AEs), all of which resolved without treatment. However, 4 patients terminated the study prematurely due to AEs. &lt;b&gt;&lt;i&gt;Conclusion:&lt;/i&gt;&lt;/b&gt; In this study, the parallel use of adapalene and nadifloxacin for at least 5 weeks resulted in a rapid improvement in acne severity, an increase in HRQoL, and a good safety profile. Therefore, it represents a promising treatment option that offers the possibility of flexible therapy adjustment.
Monitoring tautomerization of single hypericin molecules in a tunable optical λ/2 microcavity
2021-12-20

Hypericin tautomerization that involves the migration of the labile protons is believed to be the primary photophysical process relevant to its light-activated antiviral activity. Despite the difficulty in isolating individual tautomers, it can be directly observed in single-molecule experiments. We show that the tautomerization of single hypericin molecules in free space is observed as an abrupt flipping of the image pattern accompanied with fluorescence intensity fluctuations, which are not correlated with lifetime changes. Moreover, the study can be extended to a λ/2 Fabry–Pérot microcavity. The modification of the local photonic environment by a microcavity is well simulated with a theoretical model that shows good agreement with the experimental data. Inside a microcavity, the excited state lifetime and fluorescence intensity of single hypericin molecules are correlated, and a distinct jump of the lifetime and fluorescence intensity reveals the temporal behavior of the tautomerization with high sensitivity and high temporal resolution. The observed changes are also consistent with time-dependent density functional theory calculations. Our approach paves the way to monitor and even control reactions for a wider range of molecules at the single molecule level.
Multipolar Fermi-surface deformation in a Rydberg-dressed Fermi gas with long-range anisotropic interactions
2021-12-20

We study theoretically the deformation of the Fermi surface (FS) of a\\nthree-dimensional gas of Rydberg-dressed Li atoms. The laser dressing to\\nhigh-lying Rydberg states results in angle-dependent soft-core-shaped\\ninteractions whose anisotropy is described by multiple spherical harmonics. We\\nshow that this can drastically modify the shape of the FS and that its\\ndeformation depends on the interplay between the Fermi momentum and the\\nreciprocal momentum corresponding to the characteristic soft-core\\nradius of the dressing-induced potential. When , the dressed\\ninteraction stretches a spherical FS into an ellipsoid. When , complex deformations are encountered which exhibit multipolar\\ncharacteristics. We analyze the formation of Cooper pairs around the deformed\\nFS and show that they occupy large orbital angular momentum states ( , ,\\nand wave) coherently. Our study demonstrates that Rydberg dressing to high\\nangular momentum states may pave a route toward the investigation of\\nunconventional Fermi gases and multiwave superconductivity.\\n