bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Impact of Psychosis on Sexual Functioning: A Systematic Review
Authors: Vargas-Cáceres Sebastián , Cera Nicoletta , Nobre Pedro , Ramos-Quiroga J. Antoni 
Published: January 2021

ABSTRACTBackgroundSexual dysfunction among psychotic patients is highly prevalent. However, most research has focused on antipsychotic side effects on sexual functioning.AimTo provide evidence by means of a systematic review of the literature about the impact of psychosis on sexual functioning among unmedicated patients.MethodsSystematic search of MEDLINE (PubMed), Scopus, and Google Scholar for studies that reported sexual functioning among psychotic patients, who were drug-naïve or drug-free for at least 3 weeks before the study. Studies were published in English language between January 1994 and October 2019. We used the approach recommended by PRISMA, and the selection process was carried out by 2 reviewers.OutcomesThe outcome measures were sexual function and sexual dysfunctions.RESULTSA total of 734 articles were obtained, 658 were obtained after duplicates were removed, 612 were excluded after reading the title and abstract, and 46 were included for a complete review of the articles. 5 papers were finally included. A total of 770 cases were included in the systematic review. The prevalence of sexual dysfunction in psychosis varied from 16.8% to 70% and in ultra-high state was 50%. It is noteworthy that those ultra–high-risk (prodromal) patients who develop psychosis had higher rates of sexual impairment. Therefore, we found higher rates of sexual dysfunction among untreated patients, both psychotic and ultra-high risk patients, than healthy controls.Clinical ImplicationsThe assessment of sexual behavior should be a part of routine psychiatric examination not only in psychotic but also in ultra–high-risk patients.Strengths & LimitationsThis is the first systematic review about the impact of psychosis on sexual functioning among unmedicated patients. However, scarce and heterogeneous studies were identified.CONCLUSIONSImpaired sexual functioning is common in the onset of psychosis (or during ultra–high-risk state) and prior to the beginning of treatment. This suggests that psychotic symptoms and sexual dysfunction may have common etiological pathways at the psychosocial and neurobiological levels.
AGN evolution as seen in spectral lines: The case of narrow-line Seyfert 1s
Authors: Berton Marco 
Published: January 2021

AbstractLine profiles can provide fundamental information on the physics of active galactic nuclei (AGN). In the case of narrow-line Seyfert 1 galaxies (NLS1s) this is of particular importance since past studies revealed how their permitted line profiles are well reproduced by a Lorentzian function instead of a Gaussian. This has been explained with different properties of the broad-line region (BLR), which may present more pronounced turbulent motions in NLS1s with respect to other AGN. We investigated the line profiles in a recent large NLS1 sample classified using SDSS, and we divided the sources into two subsamples according to their line shapes, Gaussian or Lorentzian. The line profiles seem to separate all the properties of NLS1s. Black hole mass, Eddington ratio, [OIII] luminosity, and Fe II strength are all very different in the Lorentzian and Gaussian samples, as well as their position on the quasar main sequence. We interpret this in terms of evolution within the class of NLS1s. The Lorentzian sources may be the youngest objects, while Gaussian profiles may be typically associated to more evolved objects. Further detailed spectroscopic studies are needed to fully confirm our hypothesis.
The origin of X-ray emission in Low-Excitation Radio Galaxies
Authors: Li Shuang-Liang 
Published: January 2021

AbstractIn previous works, the radio-X-ray slope in FRI radio galaxies is found to be steeper compared with that in low-luminosity AGNs, indicating different origin of the X-ray emission. Here we reinvestigate this point by compiling a sample of 13 low-excitation radio galaxies (LERG) from 3CR radio catalog of galaxies, where the central engine in LERG is accepted to be a radiatively inefficient accretion flow (RIAF). The core radio and X-ray emissions in all the objects of our sample are detected by VLA/VLBI/VLBA and Chandra/XMM-Newton, respectively. Surprisingly, a shallower slope of Lr – Lx relation () is given by our sample, which demonstrates that the X-ray emission in LERG may come from accretion disk rather than a jet as suggested by previous works. In addition, the slope in the fundamental plane ((log LR = 0.52 log LX + 0.84 log MBH + 10.84) of LERG is found to be well consistent with that reported by Merloni et al. (2003).
The GLEAM 4-Jy Sample: The brightest radio-sources in the southern sky
Authors: White Sarah 
Published: January 2021

AbstractLow-frequency radio emission allows powerful active galactic nuclei (AGN) to be selected in a way that is unaffected by dust obscuration and orientation of the jet axis. It also reveals past activity (e.g. radio lobes) that may not be evident at higher frequencies. Currently, there are too few “radio-loud” galaxies for robust studies in terms of redshift-evolution and/or environment. Hence our use of new observations from the Murchison Widefield Array (the SKA-Low precursor), over the southern sky, to construct the GLEAM 4-Jy Sample (1,860 sources at S151MHz > 4 Jy). This sample is dominated by AGN and is 10 times larger than the heavily relied-upon 3CRR sample (173 sources at S178MHz > 10 Jy) of the northern hemisphere. In order to understand how AGN influence their surroundings and the way galaxies evolve, we first need to correctly identify the galaxy hosting the radio emission. This has now been completed for the GLEAM 4-Jy Sample – through repeated visual inspection and extensive checks against the literature – forming a valuable, legacy dataset for investigating relativistic jets and their interplay with the environment.
Experiences of online exposure-based treatment with parental support for teenagers with excessive worry
Authors: Wahlund Tove , Wallhem Michaela , Serlachius Eva , Engberg Hedvig 
Published: January 2021

Abstract
Worry is a common symptom that can become excessive and is related to several negative health outcomes. Our research group recently developed an online treatment for teenagers with excessive worry with a parallel programme for their parents. The treatment is characterized by a specific focus on exposure to uncertainty and other avoided stimuli, and includes a substantial amount of parental involvement. The aim of this study was to explore how teenagers and their parents experienced the treatment, especially how they perceived working independently with exposure tasks, parental involvement in the treatment programme, and a fixed treatment format. An experienced, independent clinical psychologist interviewed eight teenagers and nine parents in total. The verbatim transcripts were analysed with thematic analysis and two main themes emerged: ‘Seeing the worry in a new light’ and ‘Changing within a set format’, which both consisted of three subthemes. Based on the analysis, we concluded that teenagers can work actively with exposure and experience it as helpful even though it can be difficult and strange at first, and that parental involvement can be perceived as beneficial by both teenagers and their parents. While the online format placed a substantial responsibility on the families, and some would have wanted additional therapist support, working independently with one’s difficulties was acceptable.

Key learning aims

(1)
To learn about experienced benefits and obstacles of exposure in the treatment of worry.

(2)
To learn about teenagers’ experiences of working independently with exposure.

(3)
To consider the impact of parental involvement in psychological treatments for teenagers.

(4)
To consider pros and cons of online treatment for teenagers and their parents.

(5)
To consider the use of qualitative research approaches to inform further development of psychological treatments for teenagers with excessive worry.
Band degeneracy enhanced thermoelectric performance in layered oxyselenides by first-principles calculations
Authors: Wang Ning , Li Menglu , Xiao Haiyan , Gao Zhibin , Liu Zijiang , Zu Xiaotao , Li Sean , Qiao Liang 
Published: January 2021

AbstractBand degeneracy is effective in optimizing the power factors of thermoelectric (TE) materials by enhancing the Seebeck coefficients. In this study, we demonstrate this effect in model systems of layered oxyselenide family by the density functional theory (DFT) combined with semi-classical Boltzmann transport theory. TE transport performance of layered LaCuOSe and BiCuOSe are fully compared. The results show that due to the larger electrical conductivities caused by longer electron relaxation times, the n-type systems show better TE performance than p-type systems for both LaCuOSe and BiCuOSe. Besides, the conduction band degeneracy of LaCuOSe leads to a larger Seebeck coefficient and a higher optimal carrier concentration than n-type BiCuOSe, and thus a higher power factor. The optimal figure of merit (ZT) value of 1.46 for n-type LaCuOSe is 22% larger than that of 1.2 for n-type BiCuOSe. This study highlights the potential of wide band gap material LaCuOSe for highly efficient TE applications, and demonstrates that inducing band degeneracy by cations substitution is an effective way to enhance the TE performance of layered oxyselenides.
Machine-learned interatomic potentials for alloys and alloy phase diagrams
Authors: Rosenbrock Conrad W. , Gubaev Konstantin , Shapeev Alexander V. , Pártay Livia B. , Bernstein Noam , Csányi Gábor , Hart Gus L. W. 
Published: January 2021

AbstractWe introduce machine-learned potentials for Ag-Pd to describe the energy of alloy configurations over a wide range of compositions. We compare two different approaches. Moment tensor potentials (MTPs) are polynomial-like functions of interatomic distances and angles. The Gaussian approximation potential (GAP) framework uses kernel regression, and we use the smooth overlap of atomic position (SOAP) representation of atomic neighborhoods that consist of a complete set of rotational and permutational invariants provided by the power spectrum of the spherical Fourier transform of the neighbor density. Both types of potentials give excellent accuracy for a wide range of compositions, competitive with the accuracy of cluster expansion, a benchmark for this system. While both models are able to describe small deformations away from the lattice positions, SOAP-GAP excels at transferability as shown by sensible transformation paths between configurations, and MTP allows, due to its lower computational cost, the calculation of compositional phase diagrams. Given the fact that both methods perform nearly as well as cluster expansion but yield off-lattice models, we expect them to open new avenues in computational materials modeling for alloys.
Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials
Authors: Kanhaiya Krishan , Kim Seonghan , Im Wonpil , Heinz Hendrik 
Published: January 2021

AbstractThe earlier integration of validated Lennard–Jones (LJ) potentials for 8 fcc metals into materials and biomolecular force fields has advanced multiple research fields, for example, metal–electrolyte interfaces, recognition of biomolecules, colloidal assembly of metal nanostructures, alloys, and catalysis. Here we introduce 12-6 and 9-6 LJ parameters for classical all-atom simulations of 10 further fcc metals (Ac, Ca (α), Ce (γ), Es (β), Fe (γ), Ir, Rh, Sr (α), Th (α), Yb (β)) and stainless steel. The parameters reproduce lattice constants, surface energies, water interfacial energies, and interactions with (bio)organic molecules in 0.1 to 5% agreement with experiment, as well as qualitative mechanical properties under standard conditions. Deviations are reduced up to a factor of one hundred in comparison to earlier Lennard–Jones parameters, embedded atom models, and density functional theory. We also explain a quantitative correlation between atomization energies from experiments and surface energies that supports parameter development. The models are computationally very efficient and applicable to an exponential space of alloys. Compatibility with a wide range of force fields such as the Interface force field (IFF), AMBER, CHARMM, COMPASS, CVFF, DREIDING, OPLS-AA, and PCFF enables reliable simulations of nanostructures up to millions of atoms and microsecond time scales. User-friendly model building and input generation are available in the CHARMM-GUI Nanomaterial Modeler. As a limitation, deviations in mechanical properties vary and are comparable to DFT methods. We discuss the incorporation of reactivity and features of the electronic structure to expand the range of applications and further increase the accuracy.
On strong-scaling and open-source tools for analyzing atom probe tomography data
Authors: Kühbach Markus , Bajaj Priyanshu , Zhao Huan , Çelik Murat H. , Jägle Eric A. , Gault Baptiste 
Published: January 2021

AbstractThe development of strong-scaling computational tools for high-throughput methods with an open-source code and transparent metadata standards has successfully transformed many computational materials science communities. While such tools are mature already in the condensed-matter physics community, the situation is still very different for many experimentalists. Atom probe tomography (APT) is one example. This microscopy and microanalysis technique has matured into a versatile nano-analytical characterization tool with applications that range from materials science to geology and possibly beyond. Here, data science tools are required for extracting chemo-structural spatial correlations from the reconstructed point cloud. For APT and other high-end analysis techniques, post-processing is mostly executed with proprietary software tools, which are opaque in their execution and have often limited performance. Software development by members of the scientific community has improved the situation but compared to the sophistication in the field of computational materials science several gaps remain. This is particularly the case for open-source tools that support scientific computing hardware, tools which enable high-throughput workflows, and open well-documented metadata standards to align experimental research better with the fair data stewardship principles. To this end, we introduce paraprobe, an open-source tool for scientific computing and high-throughput studying of point cloud data, here exemplified with APT. We show how to quantify uncertainties while applying several computational geometry, spatial statistics, and clustering tasks for post-processing APT datasets as large as two billion ions. These tools work well in concert with Python and HDF5 to enable several orders of magnitude performance gain, automation, and reproducibility.
Machine learning for perovskite materials design and discovery
Authors: Tao Qiuling , Xu Pengcheng , Li Minjie , Lu Wencong 
Published: January 2021

AbstractThe development of materials is one of the driving forces to accelerate modern scientific progress and technological innovation. Machine learning (ML) technology is rapidly developed in many fields and opening blueprints for the discovery and rational design of materials. In this review, we retrospected the latest applications of ML in assisting perovskites discovery. First, the development tendency of ML in perovskite materials publications in recent years was organized and analyzed. Second, the workflow of ML in perovskites discovery was introduced. Then the applications of ML in various properties of inorganic perovskites, hybrid organic–inorganic perovskites and double perovskites were briefly reviewed. In the end, we put forward suggestions on the future development prospects of ML in the field of perovskite materials.
Multi-omic regulatory networks capture downstream effects of kinase inhibition in Mycobacterium tuberculosis
Authors: Young Albert T. , Carette Xavier , Helmel Michaela , Steen Hanno , Husson Robert N. , Quackenbush John , Platig John 
Published: January 2021

AbstractThe ability of Mycobacterium tuberculosis (Mtb) to adapt to diverse stresses in its host environment is crucial for pathogenesis. Two essential Mtb serine/threonine protein kinases, PknA and PknB, regulate cell growth in response to environmental stimuli, but little is known about their downstream effects. By combining RNA-Seq data, following treatment with either an inhibitor of both PknA and PknB or an inactive control, with publicly available ChIP-Seq and protein–protein interaction data for transcription factors, we show that the Mtb transcription factor (TF) regulatory network propagates the effects of kinase inhibition and leads to widespread changes in regulatory programs involved in cell wall integrity, stress response, and energy production, among others. We also observe that changes in TF regulatory activity correlate with kinase-specific phosphorylation of those TFs. In addition to characterizing the downstream regulatory effects of PknA/PknB inhibition, this demonstrates the need for regulatory network approaches that can incorporate signal-driven transcription factor modifications.
A review of the impact of environmental factors on the fate and transport of coronaviruses in aqueous environments
Authors: Paul Diplina , Kolar Praveen , Hall Steven G. 
Published: January 2021

AbstractThe ongoing severe acute respiratory syndrome-coronavirus (SARS-CoV-2) has triggered the coronavirus pandemic (COVID-19) that has claimed hundreds of thousands of lives worldwide. This virus spreads predominantly by human-to-human transmission via respiratory droplets. However, the presence of this virus in the fecal and anal swabs of infected patients has triggered the need for research into its waterborne transmission. The various environmental factors that impact the persistence of coronavirus in different water matrices include temperature, UV exposure, organic matter, disinfectants as well as adversarial microorganisms. This review summarizes the most recent research data on the effect of various factors on coronavirus in aqueous environments. The available data suggest that: (i) increasing temperature decreases the overall persistence of the virus; (ii) the presence of organic matter can increase the survivability of coronavirus; (iii) chlorine is the most effective and economic disinfectant; (iv) membrane bioreactors in wastewater treatment plants are hosts of competitive microorganisms that can inactivate coronaviruses; (v) ultraviolet irradiation is another effective option for virus inactivation. However, the inactivation disinfection kinetics of coronaviruses are yet to be fully understood. Thus, further research is needed to understand its fate and transport with respect to the water cycle so that effective strategies can be adopted to curb its effects. These strategies may vary based on geographic, climatic, technical, and social conditions around the globe. This paper explores possible approaches and especially the conditions that local communities and authorities should consider to find optimal solutions that can limit the spread of this virus.
Time-ordered comorbidity correlations identify patients at risk of mis- and overdiagnosis
Authors: Jørgensen Isabella Friis , Brunak Søren 
Published: January 2021

AbstractDiagnostic errors are common and can lead to harmful treatments. We present a data-driven, generic approach for identifying patients at risk of being mis- or overdiagnosed, here exemplified by chronic obstructive pulmonary disease (COPD). It has been estimated that 5–60% of all COPD cases are misdiagnosed. High-throughput methods are therefore needed in this domain. We have used a national patient registry, which contains hospital diagnoses for 6.9 million patients across the entire Danish population for 21 years and identified statistically significant disease trajectories for COPD patients. Using 284,154 patients diagnosed with COPD, we identified frequent disease trajectories comprising time-ordered comorbidities. Interestingly, as many as 42,459 patients did not present with these time-ordered, common comorbidities. Comparison of the individual disease history for each non-follower to the COPD trajectories, demonstrated that 9597 patients were unusual. Survival analysis showed that this group died significantly earlier than COPD patients following a trajectory. Out of the 9597 patients, we identified one subgroup comprising 2185 patients at risk of misdiagnosed COPD without the typical events of COPD patients. In all, 10% of these patients were diagnosed with lung cancer, and it seems likely that they are underdiagnosed for lung cancer as their laboratory test values and survival pattern are similar to such patients. Furthermore, only 4% had a lung function test to confirm the COPD diagnosis. Another subgroup with 2368 patients were found to be at risk of “classically” overdiagnosed COPD that survive >5.5 years after the COPD diagnosis, but without the typical complications of COPD.
Single-cell transcriptomics following ischemic injury identifies a role for B2M in cardiac repair
Authors: Molenaar Bas , Timmer Louk T. , Droog Marjolein , Perini Ilaria , Versteeg Danielle , Kooijman Lieneke , Monshouwer-Kloots Jantine , de Ruiter Hesther , Gladka Monika M. , van Rooij Eva 
Published: January 2021

AbstractThe efficiency of the repair process following ischemic cardiac injury is a crucial determinant for the progression into heart failure and is controlled by both intra- and intercellular signaling within the heart. An enhanced understanding of this complex interplay will enable better exploitation of these mechanisms for therapeutic use. We used single-cell transcriptomics to collect gene expression data of all main cardiac cell types at different time-points after ischemic injury. These data unveiled cellular and transcriptional heterogeneity and changes in cellular function during cardiac remodeling. Furthermore, we established potential intercellular communication networks after ischemic injury. Follow up experiments confirmed that cardiomyocytes express and secrete elevated levels of beta-2 microglobulin in response to ischemic damage, which can activate fibroblasts in a paracrine manner. Collectively, our data indicate phase-specific changes in cellular heterogeneity during different stages of cardiac remodeling and allow for the identification of therapeutic targets relevant for cardiac repair.
Evidence of two deeply divergent co-existing mitochondrial genomes in the Tuatara reveals an extremely complex genomic organization
Authors: Macey J. Robert , Pabinger Stephan , Barbieri Charles G. , Buring Ella S. , Gonzalez Vanessa L. , Mulcahy Daniel G. , DeMeo Dustin P. , Urban Lara , Hime Paul M. , Prost Stefan , Elliott Aaron N. , Gemmell Neil J. 
Published: January 2021

AbstractAnimal mitochondrial genomic polymorphism occurs as low-level mitochondrial heteroplasmy and deeply divergent co-existing molecules. The latter is rare, known only in bivalvian mollusks. Here we show two deeply divergent co-existing mt-genomes in a vertebrate through genomic sequencing of the Tuatara (Sphenodon punctatus), the sole-representative of an ancient reptilian Order. The two molecules, revealed using a combination of short-read and long-read sequencing technologies, differ by 10.4% nucleotide divergence. A single long-read covers an entire mt-molecule for both strands. Phylogenetic analyses suggest a 7–8 million-year divergence between genomes. Contrary to earlier reports, all 37 genes typical of animal mitochondria, with drastic gene rearrangements, are confirmed for both mt-genomes. Also unique to vertebrates, concerted evolution drives three near-identical putative Control Region non-coding blocks. Evidence of positive selection at sites linked to metabolically important transmembrane regions of encoded proteins suggests these two mt-genomes may confer an adaptive advantage for an unusually cold-tolerant reptile.