julilili42/papers huggingface dataset:
Magnitude of Diffusion- and Transverse Dispersion-Induced Isotope Fractionation of Organic Compounds in Aqueous Systems
2021-03-17

Determining whether aqueous diffusion and dispersion lead to significant isotope fractionation is important for interpreting the isotope ratios of organic contaminants in groundwater. We performed diffusion experiments with modified Stokes diaphragm cells and transverse-dispersion experiments in quasi-two-dimensional flow-through sediment tank systems to explore isotope fractionation for benzene, toluene, ethylbenzene, 2,6-dichlorobenzamide, and metolachlor at natural isotopic abundance. We observed very small to negligible diffusion- and transverse-dispersion-induced isotope enrichment factors (ε < -0.4 ‰), with changes in carbon and nitrogen isotope values within ±0.5‰ and ±1‰, respectively. Isotope effects of diffusion did not show a clear correlation with isotopologue mass with calculated power-law exponents β close to zero (0.007 < β < 0.1). In comparison to ions, noble gases, and labeled compounds, three aspects stand out. (i) If a mass dependence is derived from collision theory, then isotopologue masses of polyatomic molecules would be affected by isotopes of multiple elements resulting in very small expected effects. (ii) However, collisions do not necessarily lead to translational movement but can excite molecular vibrations or rotations minimizing the mass dependence. (iii) Solute-solvent interactions like H-bonds can further minimize the effect of collisions. Modeling scenarios showed that an inadequate model choice, or erroneous choice of β, can greatly overestimate the isotope fractionation by diffusion and, consequently, transverse dispersion. In contrast, available data for chlorinated solvent and gasoline contaminants at natural isotopic abundance suggest that in field scenarios, a potential additional uncertainty from aqueous diffusion or dispersion would add to current instrumental uncertainties on carbon or nitrogen isotope values (±1‰) with an additional ±1‰ at most.
Incidence and Death Rates from COVID-19 Are Not Always Coupled: An Analysis of Temporal Data on Local, Federal, and National Levels
2021-03-17

SARS-CoV-2 has caused a deadly pandemic worldwide, placing a burden on local health care systems and economies. Infection rates with SARS-CoV-2 and the related mortality of COVID-19 are not equal among countries or even neighboring regions. Based on data from official German health authorities since the beginning of the pandemic, we developed a case-fatality prediction model that correctly predicts COVID-19-related death rates based on local geographical developments of infection rates in Germany, Bavaria, and a local community district city within Upper Bavaria. Our data point towards the proposal that local individual infection thresholds, when reached, could lead to increasing mortality. Restrictive measures to minimize the spread of the virus could be applied locally based on the risk of reaching the individual threshold. Being able to predict the necessity for increasing hospitalization of COVID-19 patients could help local health care authorities to prepare for increasing patient numbers.
The effect of worked material hardness on stone tool wear
2021-03-17

The identification of ancient worked materials is one of the fundamental goals of lithic use wear analysis and one of the most important parts of understanding how stone tools were used in the past. Given the documented overlaps in wear patterns generated by different materials, it is imperative to understand how individual materials' mechanical properties might influence wear formation. Because isolating physical parameters and measuring their change is necessary for such an endeavor, controlled (rather than replicative) experiments combined with objective measurements of surface topography are necessary to better grasp how polish formed on stone tools. Therefore, we used a tribometer to wear natural flint surfaces against five materials (bone, antler, beech wood, spruce wood, and ivory) under the same force, and speed, over one, three, and five hours. The study aimed to test if there is a correlation between polish formation and the hardness of the worked material. We measured each raw material's hardness using nano-indentation test, and we compared the surface texture of the polished flint bits using a 3D optical profilometer. The interfacial detritus powder was analyzed with a scanning electron microscope to look for abraded flint particles. We demonstrate that, contrary to expectation, softer materials, such as wood, create smoother polishes than hard ones, such as ivory.
An ultrasound study of frequency and co-articulation
2021-03-17

Anticipatory coarticulation has been reported to be affected by word form frequency. However, it remains unclear whether frequency effect also modulates carry-over (perseverative) coarticulation. To investigate the interaction of word form frequency effect and carry-over/anticipatory coarticulations, ultrasound imaging was performed on the articulation of the vowel [a:] in German verbs. Effects of coarticulation were induced by controlling the verb’s suffixes and preceding pronouns. Contrary to the standard tongue contour analysis, we analyzed whole ultrasound images using Generalized Additive Models. We found more fronted tongue root, lower tongue body, and higher tongue tip in low-frequency words. By contrast, high-frequency words showed a more rounded tongue shape. This was reflected by the middle part of the tongue to be higher and the tongue root more retracted in high frequency words in comparison to low frequency words. These findings indicate more optimized tongue movements for higher frequency words.
Changes in CD163+, CD11b+, and CCR2+ peripheral monocytes relate to Parkinson’s disease and cognition
2021-03-17

1. Abstract Alpha-synuclein pathology is associated with immune activation and neurodegeneration in Parkinson’s disease. The immune activation involves not only microglia but also peripheral immune cells, such as mononuclear phagocytes found in blood and infiltrated in the brain. Understanding peripheral immune involvement is essential for developing immunomodulatory treatment. Therefore, we aimed to study circulating mononuclear phagocytes in early- and late-stage Parkinson’s disease, defined by disease duration of less or more than five years, respectively, and analyze their association with clinical phenotypes. We performed a cross-sectional multi-color flow cytometry study on 78 sex-balanced individuals with sporadic Parkinson’s disease, 28 controls, and longitudinal samples from seven patients and one control. Cell frequencies and surface marker expressions on natural killer cells, monocyte subtypes, and dendritic cells were compared between groups and correlated with standardized clinical scores. We found elevated frequencies and surface levels of migration-(CCR2, CD11b) and phagocytic-(CD163) markers, particularly on classical and intermediate monocytes in early Parkinson’s disease. HLA-DR expression was increased in advanced stages of the disease, whereas TLR4 expression was decreased in women with Parkinson’s Disease. The disease-associated immune changes on CCR2 and CD11b correlated with worse cognition. Increased TLR2 expression was related to worse motor symptoms. In conclusion, our data highlights the TLR2 relevance in the symptomatic motor presentation of the disease and a role for peripheral CD163 + and migration-competent monocytes in Parkinson’s disease cognitive defects. Our study suggests that the peripheral immune system is dynamically altered in Parkinson’s disease stages and directly related to both symptoms and the sex bias of the disease. Highlights TLR2 expression increased in patients with worse motor symptoms. Increased CD163 and HLA-DR monocytic expression in patients with long PD duration. Sexual-dimorphism for CCR2, CD11b, and TLR4 expression on PD monocytes. CCR2 and CD11b expression are associated with cognitive impairment in PD.
Finite element analysis for a diffusion equation on a harmonically evolving domain
2021-03-17

Abstract We study convergence of the evolving finite element semidiscretization of a parabolic partial differential equation on an evolving bulk domain. The boundary of the domain evolves with a given velocity, which is then extended to the bulk by solving a Poisson equation. The numerical solution to the parabolic equation depends on the numerical evolution of the bulk, which yields the time-dependent mesh for the finite element method. The stability analysis works with the matrix–vector formulation of the semidiscretization only and does not require geometric arguments, which are then required in the proof of consistency estimates. We present various numerical experiments that illustrate the proven convergence rates.
A Comprehensive Analysis of Select Medicines Collected from Private Drug Outlets of Dhaka City, Bangladesh in a Simple Random Survey
2021-03-17

Abstract Comprehensive data are needed to prevent substandard and falsified (SF) medicines as they pose a major risk to human health. To assess the quality of select medicines, samples were collected from random private drug outlets of Dhaka North and South City Corporation, Bangladesh. Sample analysis included visual observation of the packaging, authenticity of the samples, legitimacy and registration verification of the manufacturer, physicochemical analysis, and price. Chemical analysis of the samples was performed using a portable Raman spectroscopy and high-performance liquid chromatography according to the pharmacopoeia. Several discrepancies were noted in the visual observation of samples. Among the 189 collected samples of esomeprazole (ESM), cefixime (CFIX), and amoxicillin-clavulanic acid (CVA-AMPC), 21.2% were confirmed to be authentic, 91.3% manufacturers were confirmed legitimate, and 2.1% of all samples were unregistered. Chemical analysis of the samples revealed that 9.5% (95% CI, 0.057–0.146) of samples were SFs. Falsified samples and quality variation in the same generic branded samples were both detected by Raman spectroscopic analysis. Overall, sample prices were satisfactory relative to the international reference price. Despite the relatively smaller proportions of SFs, this study documents the availability of poor-quality medicines, demonstrating the need for immediate attention by the national medicine regulatory authority.
Can we change binge eating behaviour by interventions addressing food-related impulsivity? A systematic review
2021-03-18

Abstract Background An extensive amount of research has underlined the potential role of impulsivity in the development and maintenance of binge eating behaviour. Food-related impulsivity has particularly received attention given its close relationship with overeating and binge eating episodes. Besides the available evidence, our understanding regarding the effectiveness of treatment modalities for binge eating targeting impulsivity and related constructs (e.g., food craving, inhibitory control, and reward sensitivity) is limited. Thus, this systematic review aimed to investigate whether binge eating behaviour is changeable by interventions that are impulsivity-focused and food-related and whether one of these interventions is superior to the others. Method A search on PubMed and PsycINFO was performed for relevant articles published up to September 2020. Studies delivering food-related impulsivity treatment to individuals suffering from binge eating episodes and including a control condition without this treatment were investigated. Following the search, 15 studies meeting the eligibility criteria were analysed. Results Analyses revealed that available impulsivity-focused approaches can be categorised as psychotherapy, pharmacotherapy, computer-assisted cognitive training, and direct neuromodulation interventions. Regarding their effectiveness, it appeared that all of these approaches might be promising to change food-related impulsivity in individuals with binge eating episodes, particularly to decrease binge eating symptoms. However, a superior intervention approach in this early state of evidence could not be determined, although food-related cue exposure, transcranial direct current stimulation, and the combination of several interventions seem fruitful. Conclusion Efforts to treat binge eating behaviour with interventions focusing on food-related impulsivity appear to be promising, particularly concerning binge eating frequency, and also for food craving and inhibitory control. Given limited research and varying methods, it was not possible to conclude whether one impulsivity-focused intervention can be considered superior to others.
Co-occurrence of Hyperacusis Accelerates With Tinnitus Burden Over Time and Requires Medical Care
2021-03-18

Although tinnitus represents a major global burden, no causal therapy has yet been established. Ongoing controversies about the neuronal pathophysiology of tinnitus hamper efforts in developing advanced therapies. Hypothesizing that the unnoticed co-occurrence of hyperacusis and differences in the duration of tinnitus may possibly differentially influence the neural correlate of tinnitus, we analyzed 33 tinnitus patients without (T-group) and 20 tinnitus patients with hyperacusis (TH-group). We found crucial differences between the T-group and the TH-group in the increase of annoyance, complaints, tinnitus loudness, and central neural gain as a function of tinnitus duration. Hearing thresholds did not differ between T-group and TH-group. In the TH-group, the tinnitus complaints (total tinnitus score) were significantly greater from early on and the tinnitus intensity distinctly increased over time from ca. 12 to 17 dB when tinnitus persisted more than 5 years, while annoyance responses to normal sound remained nearly constant. In contrast, in the T-group tinnitus complaints remained constant, although the tinnitus intensity declined over time from ca. 27 down to 15 dB beyond 5 years of tinnitus persistence. This was explained through a gradually increased annoyance to normal sound over time, shown by a hyperacusis questionnaire. Parallel a shift from a mainly unilateral (only 17% bilateral) to a completely bilateral (100%) tinnitus percept occurred in the T-group, while bilateral tinnitus dominated in the TH-group from the start (75%). Over time in the T-group, ABR wave V amplitudes (and V/I ratios) remained reduced and delayed. By contrast, in the TH-group especially the ABR wave III and V (and III/I ratio) continued to be enhanced and shortened in response to high-level sound stimuli. Interestingly, in line with signs of an increased co-occurrence of hyperacusis in the T-group over time, ABR wave III also slightly increased in the T-group. The findings disclose an undiagnosed co-occurrence of hyperacusis in tinnitus patients as a main cause of distress and the cause of complaints about tinnitus over time. To achieve urgently needed and personalized therapies, possibly using the objective tools offered here, a systematic sub-classification of tinnitus and the co-occurrence of hyperacusis is recommended.
Microscopic electronic structure tomography of Rydberg macrodimers
2021-03-18

Precise control and study of molecules is challenging due to the variety of internal degrees of freedom and local coordinates that are typically not controlled in an experiment. Employing quantum gas microscopy to position and resolve the atoms in Rydberg macrodimer states solves most of these challenges and enables unique access to the molecular frame. Here, we demonstrate this approach and present photoassociation studies in which the molecular orientation relative to an applied magnetic field, the polarization of the excitation light, and the initial atomic state are fully controlled. The observed dependencies allow for an electronic structure tomography of the molecular state. We additionally observe an orientation-dependent Zeeman shift, and we reveal a significant influence on it caused by the hyperfine interaction of the macrodimer state. Finally, we demonstrate control over the electrostatic binding potential by engineering a gap between two crossing pair potentials. Our results establish macrodimers as the most sensitive tool to benchmark Rydberg interaction potentials, and they open new perspectives for improving Rydberg dressing schemes.
Management of Monogenic IL-1 Mediated Autoinflammatory Diseases in Childhood
2021-03-18

Monogenic Interleukin 1 (IL-1) mediated autoinflammatory diseases (AID) are rare, often severe illnesses of the innate immune system associated with constitutively increased secretion of pro-inflammatory cytokines. Clinical characteristics include recurrent fevers, inflammation of joints, skin, and serous membranes. CNS and eye inflammation can be seen. Characteristically, clinical symptoms are coupled with elevated inflammatory markers, such as C-reactive protein (CRP) and serum amyloid A (SAA). Typically, AID affect infants and children, but late-onset and atypical phenotypes are described. An in-depth understanding of autoinflammatory pathways and progress in molecular genetics has expanded the spectrum of AID. Increasing numbers of genetic variants with undetermined pathogenicity, somatic mosaicisms and phenotype variability make the diagnosis of AID challenging. AID should be diagnosed as early as possible to prevent organ damage. The diagnostic approach includes patient/family history, ethnicity, physical examination, specific functional testing and inflammatory markers (SAA, CRP) during, and in between flares. Genetic testing should be performed, when an AID is suspected. The selection of genetic tests is guided by clinical findings. Targeted and rapid treatment is crucial to reduce morbidity, mortality and psychosocial burden after an AID diagnosis. Management includes effective treat-to-target therapy and standardized, partnered monitoring of disease activity (e.g., AIDAI), organ damage (e.g., ADDI), patient/physician global assessment and health related quality of life. Optimal AID care in childhood mandates an interdisciplinary team approach. This review will summarize the current evidence of diagnosing and managing children with common monogenic IL-1 mediated AID.
Sociodemographic Characteristics and Interests of FeverApp Users
2021-03-18

The FeverApp Registry is a model registry focusing on pediatric fever using a mobile app to collect data and present recommendations. The recorded interactions can clarify the relationship between user documentation and user information. This initial evaluation regarding features of participants and usage intensity of educational video, information library, and documentation of fever events covers the runtime of FeverApp for the first 14 months. Of the 1592 users, the educational opening video was viewed by 41.5%, the Info Library was viewed by 37.5%, and fever events were documented by 55.5%. In the current sample, the role of a mother (p &lt; 0.0090), having a higher level of education (p = 0.0013), or being registered at an earlier date appear to be cues to take note of the training video, Info Library, and to document. The FeverApp was used slightly less by people with a lower level of education or who had a migration background, but at the current stage of recruitment no conclusion can be made. The user analyses presented here are plausible and should be verified with further dissemination of the registry. Ecological momentary assessment is used more than the information option, in line with the task of a registry. Data collection via app seems feasible.
Influence of the Fluorination of Iron Phthalocyanine on the Electronic Structure of the Central Metal Atom
2021-03-18

The electronic structure of the central Fe ion of iron phthalocyanine (FePc) and perfluorinated iron phthalocyanine (FePcF16) in thin films is investigated by X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD), supported by photoemission. Both molecules grow in a flat-lying adsorption geometry in thin films. Fe L-edge X-ray absorption spectra of FePc and FePcF16 exhibit minor, but distinct, differences of the shape, indicating a different electronic structure. A significantly stronger XMCD signal and thus larger magnetic moments were observed for FePc compared to FePcF16 at low temperatures (15 K). Multiplet calculations have been used to simulate the XA and XMCD spectra and give detailed insight into the electronic structure of Fe in FePc and FePcF16. We suppose that the electronic structure crucially depends on the detailed arrangement of FePc and FePcF16 molecules in thin films.
Research priorities for rare neurological diseases: a representative view of patient representatives and healthcare professionals from the European Reference Network for Rare Neurological Diseases
2021-03-18

Abstract Background Patient involvement in research increases the impact of research and the likelihood of adoption in clinical practice. A first step is to know which research themes are important for patients. We distributed a survey on research priorities to ERN-RND members, both patient representatives and healthcare professionals, asking them to prioritize five research themes for rare neurological diseases on a scale ranging from 1 (most important) to 5 (least important). A follow-up e-mail interview was conducted with patient representatives and professionals to assess potential reasons for differences in opinions between these two groups. Results In total, 156 responses were analysed: 61 from professionals and 95 from patient representatives. They covered all ERN-RND disease groups and came from 20 different EU countries. Almost half of the respondents considered ‘Developing therapies and preventive strategies’ the most important research theme. In particular, patient representatives prioritized this theme more often than professionals, while professionals prioritized ‘Disease mechanisms and models’. Patient representatives indicated that therapies and prevention were of the utmost importance to them, because their lives are often heavily impacted by the disease and their main goal is to relief the burden of disease. Professionals indicated that investigating disease mechanisms will lead to more knowledge and is indispensable for finding new treatments. Conclusions Patients and professionals have different opinions on which research theme should have priority. A qualitative follow-up shows that they respect each others’ view points. Different stakeholders involved in research should be aware of their differences in research theme priority. Explaining these differences to each other leads to more understanding, and could improve patient engagement in research. Graphical Abstract
Reconstructing Complex Cardiac Excitation Waves From Incomplete Data Using Echo State Networks and Convolutional Autoencoders
2021-03-18

The mechanical contraction of the pumping heart is driven by electrical excitation waves running across the heart muscle due to the excitable electrophysiology of heart cells. With cardiac arrhythmias these waves turn into stable or chaotic spiral waves (also called rotors) whose observation in the heart is very challenging. While mechanical motion can be measured in 3D using ultrasound, electrical activity can (so far) not be measured directly within the muscle and with limited resolution on the heart surface, only. To bridge the gap between measurable and not measurable quantities we use two approaches from machine learning, echo state networks and convolutional autoencoders, to solve two relevant data modelling tasks in cardiac dynamics: Recovering excitation patterns from noisy, blurred or undersampled observations and reconstructing complex electrical excitation waves from mechanical deformation. For the synthetic data sets used to evaluate both methods we obtained satisfying solutions with echo state networks and good results with convolutional autoencoders, both clearly indicating that the data reconstruction tasks can in principle be solved by means of machine learning.