julilili42/papers huggingface dataset:
Design, Synthesis and Pharmacological Evaluation of Novel Conformationally Restricted N-arylpiperazine Derivatives Characterized as D2/D3 Receptor Ligands, Candidates for the Treatment of Neurodegenerative Diseases
2022-08-12

Most neurodegenerative diseases are multifactorial, and the discovery of several molecular mechanisms related to their pathogenesis is constantly advancing. Dopamine and dopaminergic receptor subtypes are involved in the pathophysiology of several neurological disorders, such as schizophrenia, depression and drug addiction. For this reason, the dopaminergic system and dopamine receptor ligands play a key role in the treatment of such disorders. In this context, a novel series of conformationally restricted N-arylpiperazine derivatives (5a–f) with a good affinity for D2/D3 dopamine receptors is reported herein. Compounds were designed as interphenylene analogs of the drugs aripiprazole (2) and cariprazine (3), presenting a 1,3-benzodioxolyl subunit as a ligand of the secondary binding site of these receptors. The six new N-arylpiperazine compounds were synthesized in good yields by using classical methodologies, and binding and guanosine triphosphate (GTP)-shift studies were performed. Affinity values below 1 μM for both target receptors and distinct profiles of intrinsic efficacy were found. Docking studies revealed that Compounds 5a–f present a different binding mode with dopamine D2 and D3 receptors, mainly as a consequence of the conformational restriction imposed on the flexible spacer groups of 2 and 3.
Fair-Weather Atmospheric Charge Measurements with a Small UAS
2022-08-12

Abstract Atmospheric electricity measurements made from small unmanned aircraft systems (UAS) are rare but are of increasing interest to the atmospheric science community due to the information that they can provide about aerosol and turbulence characteristics of the atmospheric boundary layer (ABL). Here we present the first analysis of a new dataset of space charge and meteorology measurements made from the small, electric, fixed-wing UAS model MASC-3. Two distinct experiments are discussed: 1) Flights past a 99 m metal tower to test the response of the charge sensor to a fixed distortion of the electric field caused by the geometry of the tower. Excellent agreement is found between the charge sensor response from the MASC-3 and modeled electric field around the tower. 2) Vertical profiles up to an altitude of 2500 m to study the evolution of the ABL with the time of day. These flights demonstrated close agreement between the space charge profiles and temperature, relative humidity, and turbulence parameters, as would be expected on a fair-weather day with summertime convection. Maximum values of space charge measured were of order 70 pC m −3 , comparable with other measurements in the literature from balloon platforms. These measurements demonstrate the suitability of small UAS for atmospheric electrical measurements, provided that care is taken over the choice of aircraft platform, sensor placement, minimization of electrical interference, and careful choice of the flight path. Such aircraft are typically more cost-effective than manned aircraft and are being increasingly used for atmospheric science purposes.
In-situ grazing-incidence X-ray diffraction data of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) via employing an isopropanol antisolvent. Raw Data
2022-08-12

&lt;p&gt;The dataset contains 400 diffraction images from a 40 second in-situ grazing-incidence wide-angle X-ray scattering measurement of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) on a glass substrate. The crystallization is initiated via employing an isopropanol antisolvent during the spin-coating of the perovskite precursor solution. 40 &micro;L of MAPbBr3 solution (4:1 DMF/DMSO solvent mixture) was applied on plasma-cleaned glass substrate in a chamber with kapton windows. The two-phase spin-coating regime included 10 seconds at 1000 rpm followed by 30 seconds at 2000 rpm, 200 &micro;L of antisolvent was dispensed at t = 30 s.&lt;/p&gt; &lt;p&gt;&nbsp;&lt;/p&gt; &lt;p&gt;&nbsp;&lt;/p&gt; &lt;p&gt;The data was acquired at the P08 Beamline at PETRA III (DESY Hamburg). Acquisition parameters:&lt;/p&gt; &lt;p&gt;&nbsp;&lt;/p&gt; &lt;ul&gt; &lt;li&gt; &lt;p&gt;X-ray wavelength: 0.6888 nm&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Sample detector distance: 809 mm&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Incidence angle: 0.5 deg.&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Detector model: XRD 1621 CN3 EHS&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Acquisition rate&nbsp;: 10 frames per second (10 Hz)&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Direct beam position (pixels): 545, 222&lt;/p&gt; &lt;/li&gt; &lt;/ul&gt;
GIXD data of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3), processed q-space maps
2022-08-12

&lt;p&gt;This dataset contains grazing incidence x-ray diffraction (GIXD) maps projected in q-space and polar projection. The underlying raw data is published in &lt;a href="https://doi.org/10.5281/zenodo.6683616"&gt;10.5281/zenodo.6683616&lt;/a&gt; and processed with &lt;a href="https://doi.org/10.5281/zenodo.6683658"&gt;10.5281/zenodo.6683658&lt;/a&gt;. This data describes a time series of diffraction images acquired with 10 Hz.&lt;/p&gt; &lt;p&gt;&nbsp;&lt;/p&gt; &lt;p&gt;Parameters of the provided data:&lt;/p&gt; &lt;ul&gt; &lt;li&gt; &lt;p&gt;Q-space-maps&lt;/p&gt; &lt;/li&gt; &lt;/ul&gt; &lt;p&gt;&nbsp;&lt;/p&gt; &lt;ul&gt; &lt;li&gt; &lt;ul&gt; &lt;li&gt; &lt;p&gt;Horizontal axis (Q&lt;sub&gt;xy&lt;/sub&gt;) range: (0, 3.2) &Aring;&lt;sup&gt;-1&lt;/sup&gt;&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Vertical axis (Q&lt;sub&gt;z&lt;/sub&gt;) range: (0, 3.2) &Aring;&lt;sup&gt;-1&lt;/sup&gt;&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Resolution: 1350x1350 pixels&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Origin (lower left coordinate in q): (0, 0)&lt;/p&gt; &lt;/li&gt; &lt;/ul&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Polar data&lt;/p&gt; &lt;ul&gt; &lt;li&gt; &lt;p&gt;Horizontal axis (||&lt;strong&gt;q&lt;/strong&gt;||) range: (0, 4.53) &Aring;&lt;sup&gt;-1&lt;/sup&gt;&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Vertical axis (ф) range: (0, 90) deg&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Resolution: 512x1024 pixels&lt;/p&gt; &lt;/li&gt; &lt;li&gt; &lt;p&gt;Origin (lower left coordinate in q): (0, 0)&lt;/p&gt; &lt;/li&gt; &lt;/ul&gt; &lt;/li&gt; &lt;/ul&gt;
Crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3), GIXD analysis results: diffraction features and crystal structure
2022-08-12

&lt;p&gt;Analysis result of an &lt;em&gt;in-situ&lt;/em&gt; measurement of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) on a glass substrate.&lt;/p&gt; &lt;p&gt;This dataset contains the positions, sizes, and integrated intensities of extracted diffraction peaks with 0.1s time resolution.&lt;/p&gt; &lt;p&gt;For crystal structure matching, the provided CIF file (CCDC 1446529) was used.&lt;/p&gt;
GIXD data of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3), processed q-space maps
2022-08-12

This dataset contains grazing incidence x-ray diffraction (GIXD) maps projected in q-space and polar projection. The underlying raw data is published in 10.5281/zenodo.6683616 and processed with 10.5281/zenodo.6683658. This data describes a time series of diffraction images acquired with 10 Hz. Parameters of the provided data: Q-space-maps Horizontal axis (Q<sub>xy</sub>) range: (0, 3.2) Å<sup>-1</sup> Vertical axis (Q<sub>z</sub>) range: (0, 3.2) Å<sup>-1</sup> Resolution: 1350x1350 pixels Origin (lower left coordinate in q): (0, 0) Polar data Horizontal axis (||<strong>q</strong>||) range: (0, 4.53) Å<sup>-1</sup> Vertical axis (ф) range: (0, 90) deg Resolution: 512x1024 pixels Origin (lower left coordinate in q): (0, 0)
Crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3), GIXD analysis results: diffraction features and crystal structure
2022-08-12

Analysis result of an <em>in-situ</em> measurement of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) on a glass substrate. This dataset contains the positions, sizes, and integrated intensities of extracted diffraction peaks with 0.1s time resolution. For crystal structure matching, the provided CIF file (CCDC 1446529) was used.
In-situ grazing-incidence X-ray diffraction data of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) via employing an isopropanol antisolvent. Raw Data
2022-08-12

The dataset contains 400 diffraction images from a 40 second in-situ grazing-incidence wide-angle X-ray scattering measurement of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) on a glass substrate. The crystallization is initiated via employing an isopropanol antisolvent during the spin-coating of the perovskite precursor solution. 40 μL of MAPbBr3 solution (4:1 DMF/DMSO solvent mixture) was applied on plasma-cleaned glass substrate in a chamber with kapton windows. The two-phase spin-coating regime included 10 seconds at 1000 rpm followed by 30 seconds at 2000 rpm, 200 μL of antisolvent was dispensed at t = 30 s. The data was acquired at the P08 Beamline at PETRA III (DESY Hamburg). Acquisition parameters: X-ray wavelength: 0.6888 nm Sample detector distance: 809 mm Incidence angle: 0.5 deg. Detector model: XRD 1621 CN3 EHS Acquisition rate : 10 frames per second (10 Hz) Direct beam position (pixels): 545, 222
Needle Penetration Simulation: Influence of Penetration Angle and Sample Stress on the Mechanical Behaviors of Polymers Applying a Cast Silicone and a 3D-Printed Resin
2022-08-13

For surgical catheterization training applications, realistic and effective materials are desired. In this study, the relevance of a needle puncture angle and a simulated wall stress on different elastic materials were determined in a previously developed experimental setup. Both settings were considered individually in two new setups. In addition, a control setup with neither angle nor prestress was designed. During the process of puncturing the samples of two materials (Replisil 9N and Formlabs Elastic 50A), force–displacement values were collected, and three predefined parameters evaluated. The differences between the angled/stressed groups and the control group were analyzed. The additively processed material required a significantly higher force to puncture than the conventional one (p &lt; 0.001). Moreover, a needle angulation of 45° required more force than puncturing orthogonally. Prestressing the samples did not clearly influence the resulting force. An evaluation of relative parameters showed that the investigated materials behaved differently but not linearly differently under the influence of needle angle and prestress. Therefore, it is essential to evaluate the properties and suitability of materials for surgical training models in appropriate experimental setups considering multiple parameters.
An interdisciplinary synthesis of research on understanding and promoting well‐doing
2022-08-14

Abstract People's intentional pursuit of prosocial goals and values (i.e., well‐doing) is critical to the flourishing of humanity in the long run. Understanding and promoting well‐doing is a shared goal across many fields inside and outside of social and personality psychology. Several of these fields are (partially) disconnected from each other and could benefit from more integration of existing knowledge, interdisciplinary collaboration, and cross‐fertilization. To foster the transfer and integration of knowledge across these different fields, we provide a brief overview with pointers to some key articles from each field, highlight connections, and introduce an integrative model of the psychological mechanisms of well‐doing. We identify some gaps in the current understanding of well‐doing, such as the paucity of research on well‐doing with large and long‐lasting positive consequences. Building on this analysis, we identify opportunities for high‐impact research on well‐doing in social and personality psychology, such as understanding and promoting the effective pursuit of highly impactful altruistic goals.
Two distinct ways to form long-term object recognition memory during sleep and wakefulness
2022-08-15

Memory consolidation is promoted by sleep. However, there is also evidence for consolidation into long-term memory during wakefulness via processes that preferentially affect nonhippocampal representations. We compared, in rats, the effects of 2-h postencoding periods of sleep and wakefulness on the formation of long-term memory for objects and their associated environmental contexts. We employed a novel-object recognition (NOR) task, using object exploration and exploratory rearing as behavioral indicators of these memories. Remote recall testing (after 1 wk) confirmed significant long-term NOR memory under both conditions, with NOR memory after sleep predicted by the occurrence of EEG spindle–slow oscillation coupling. Rats in the sleep group decreased their exploratory rearing at recall testing, revealing successful recall of the environmental context. By contrast, rats that stayed awake after encoding showed equally high levels of rearing upon remote testing as during encoding, indicating that context memory was lost. Disruption of hippocampal function during the postencoding interval (by muscimol administration) suppressed long-term NOR memory together with context memory formation when animals slept, but enhanced NOR memory when they were awake during this interval. Testing remote recall in a context different from that during encoding impaired NOR memory in the sleep condition, while exploratory rearing was increased. By contrast, NOR memory in the wake rats was preserved and actually superior to that after sleep. Our findings indicate two distinct modes of long-term memory formation: Sleep consolidation is hippocampus dependent and implicates event-context binding, whereas wake consolidation is impaired by hippocampal activation and strengthens context-independent representations.
Creating a data commons: The INternational Soft Tissue SaRcoma ConsorTium (INSTRuCT)
2022-08-15

Abstract In this article, we will discuss the genesis, evolution, and progress of the INternational Soft Tissue SaRcoma ConsorTium (INSTRuCT), which aims to foster international research and collaboration focused on pediatric soft tissue sarcoma. We will begin by highlighting the current state of clinical research for pediatric soft tissue sarcomas, including rhabdomyosarcoma and non‐rhabdomyosarcoma soft tissue sarcoma. We will then explore challenges and research priorities, describe the development of INSTRuCT, and discuss how the consortium aims to address key research priorities.
Biased belief priors versus biased belief updating: Differential correlates of depression and anxiety
2022-08-15

Individuals prone to anxiety and depression often report beliefs and make judgements about themselves that are more negative than those reported by others. We use computational modeling of a richly naturalistic task to disentangle the role of negative priors versus negatively biased belief updating and to investigate their association with different dimensions of Internalizing psychopathology. Undergraduate participants first provided profiles for a hypothetical tech internship. They then viewed pairs of other profiles and selected the individual they would prefer to work alongside out of each pair. In a subsequent phase of the experiment, participants made judgments about their relative popularity as hypothetical internship partners both before any feedback and after each of 20 items of feedback revealing whether or not they had been selected as the preferred teammate from a given pairing. Scores on latent factors of general negative affect, anxiety-specific affect and depression-specific affect were estimated using participants’ self-report scores on standardized measures of anxiety and depression together with factor loadings from a bifactor analysis conducted previously. Higher scores on the depression-specific factor were linked to more negative prior beliefs but were not associated with differences in belief updating. In contrast, higher scores on the anxiety-specific factor were associated with a negative bias in belief updating but no difference in prior beliefs. These findings indicate that, to at least some extent, distinct processes may impact the formation of belief priors and in-the-moment belief updating and that these processes may be differentially disrupted in depression and anxiety. Future directions for enquiry include examination of the possibility that prior beliefs biases in depression might reflect generalization from prior experiences or global schema whereas belief updating biases in anxiety might be more situationally specific.
Probing bumblebee gravity with black hole X-ray data
2022-08-15

Abstract Bumblebee gravity is one of the simplest gravity theories with spontaneous Lorentz symmetry breaking. Since we know a rotating black hole solution in bumblebee gravity, we can potentially test this model with the available astrophysical observations of black holes. In this work, we construct a reflection model in bumblebee gravity and we use our model to analyze the reflection features of a NuSTAR spectrum of the Galactic black hole EXO 1846-031 in order to constrain the Lorentz-violating parameter <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>l</mml:mi> </mml:math> . We find that the analysis of the reflection features in the spectrum of EXO 1846-031 cannot constrain the parameter <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>l</mml:mi> </mml:math> because of a very strong degeneracy between the estimates of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>l</mml:mi> </mml:math> and of the black hole spin parameter <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>a</mml:mi> <mml:mrow> <mml:mrow/> <mml:mo>∗</mml:mo> </mml:mrow> </mml:msub> </mml:math> . Such a degeneracy may be broken by combining other observations.
Vitamin C Deficiency in Blood Samples of COVID-19 Patients
2022-08-15

Coronavirus disease 2019 (COVID-19) is the most notable pandemic of the modern era. A relationship between ascorbate (vitamin C) and COVID-19 severity is well known, whereas the role of other vitamins is less understood. The present study compared the blood levels of four vitamins in a cohort of COVID-19 patients with different severities and uninfected individuals. Serum concentrations of ascorbate, calcidiol, retinol, and α-tocopherol were measured in a cohort of 74 COVID-19 patients and 8 uninfected volunteers. The blood levels were statistically compared and additional co-morbidity factors were considered. COVID-19 patients had significantly lower plasma ascorbate levels than the controls (p-value &lt; 0.001), and further stratification revealed that the controls had higher levels than fatal, critical, and severe COVID-19 cases (p-values &lt; 0.001). However, no such trend was observed for calcidiol, retinol, or α-tocopherol (p-value ≥ 0.093). Survival analysis showed that plasma ascorbate below 11.4 μM was associated with a lengthy hospitalization and a high risk of death. The results indicated that COVID-19 cases had depleted blood ascorbate associated with poor medical conditions, confirming the role of this vitamin in the outcome of COVID-19 infection.
Coastal adaptations on the eastern seaboard of South Africa during the Pleistocene and Holocene? Current evidence and future perspectives from archaeology and marine geology
2022-08-15

The use of marine resources and the settlement of coastal settlements may have influenced the bio-cultural evolution and dispersal of Pleistocene Homo sapiens in Africa. In order to test such scenarios, however, we require evidence for these behaviours deriving from an expanded spatio-temporal archaeological record. The Stone Age of South Africa documents the richest and longest record of coastal adaptations. In contrast to abundant evidence of coastal sites on the western and southern seaboard, the eastern Indian Ocean coast has not played a role in recent discussions. Considering the important and well-known Middle and Later Stone Age (MSA/LSA) record from inland sites of KwaZulu-Natal (KZN), this region may be an underappreciated area for further study. Here we provide a systematic overview of marine resource use and the settlement of coastal landscapes during the Late Pleistocene and Holocene in KZN. For the first time, we contextualize these archaeological findings with a review and new data on the changing marine and coastal geomorphology in the context of GIS modelling and offshore marine geophysical investigations. Our review finds evidence for long-term dietary and non-dietary use of marine resources during the MSA and LSA from a few stratified sites, with many more surface occurrences particularly for the MSA along the modern KZN coastline indicating human habitation. Comparisons to other areas of South Africa, GIS modelling and geological considerations suggest that current data on the eastern seaboard are not reflective of the original extent and nature of the consumption of marine foods and settlement of coastal landscapes. By contextualizing the biased and patchy MSA and LSA record with results on the dynamic marine and coastal geomorphology of KZN, we develop productive lines of future studies to assess open questions on potential coastal adaptations in this region. These research strategies include the identification of areas with high potential for finding new sites within a 10 km transect along the current coastline as well as dedicated off-shore projects including underwater archaeology aided by new marine geological work in the southwest Indian Ocean.
Spike desensitisation as a mechanism for high-contrast selectivity in retinal ganglion cells
2022-08-15

ABSTRACT In the vertebrate retina, several dozens of parallel channels relay information about the visual world to the brain. These channels are represented by the different types of retinal ganglion cells (RGCs), whose responses are rendered selective for distinct sets of visual features by various mechanisms. These mechanisms can be roughly grouped into synaptic interactions and cell-intrinsic mechanisms, with the latter including dendritic morphology as well as ion channel complement and distribution. Here, we investigate how strongly ion channel complement can shape RGC output by comparing two mouse RGC types, the well-described ON alpha cell and a little-studied ON cell that is EGFP-labelled in the Igfbp5 mouse line and displays an unusual selectivity for high-contrast stimuli. Using patch-clamp recordings and computational modelling we show that in ON Igfbp5 cells – but not in the ON alpha cells – a higher activation threshold and a pronounced slow inactivation of the voltage-gated Na + channels are responsible for the distinct contrast tuning and transient responses of ON Igfbp5 RGCs, respectively. This study provides an example for the powerful role that the last stage of retinal processing can play in shaping RGC responses. SIGNIFICANCE STATEMENT Here, we investigated, how voltage-gated sodium channels contribute to shaping the light responses of mouse retinal ganglion cells. Using single-cell electrophysiology and computational modelling, we studied a ganglion cell type that displays highly transient responses and an unusual selectivity for visual high-contrast stimuli. We found that the cell’s characteristic responses were largely determined by intrinsic mechanisms, notably, a high activation threshold and a pronounced slow inactivation of its voltage-gated sodium channels. Therefore, our study demonstrates how sodium channels at the last stage of retinal signal processing can contribute to shape retinal output to higher visual areas the brain; it also adds a rare example for how channel complement can be directly linked to feature selectivity.