bluuebunny/crossref_metadata_2025_split huggingface dataset:
Clinical recommendations for dry powder inhaler use in the management of COPD in primary care
Authors: Leving Marika T. , Bosnic-Anticevich Sinthia , van Cooten Joyce , de Sousa Jaime Correia , Cvetkovski Biljana , Dekhuijzen Richard , Dijk Lars , Pardo Marina Garcia , Gardev Asparuh , Gawlik Radosław , van der Ham Iris , Janse Ymke , Lavorini Federico , Maricoto Tiago , Meijer Jiska , Metz Boyd , Price David , Roman-Rodriguez Miguel , Schuttel Kirsten , Stoker Nilouq , Tsiligianni Ioanna , Usmani Omar , Emerson-Stadler Rachel , Kocks Janwillem W. H. 
Published: December 2022

AbstractOver 1400 patients using dry powder inhalers (DPIs) to deliver COPD maintenance therapies were recruited across Europe and Australia. Their peak inspiratory flow (PIF) was measured, inhaler technique was observed, and adherence to treatment assessed. From relating the findings with patient health status, and thereby identifying critical errors, key clinical recommendations for primary care clinicians were determined, namely – measure PIF before prescribing a DPI to ensure inhalation manoeuvre ability is well-matched with the device. Some patients could benefit from inhalation training whereas others should have their DPI changed for one better suited to their inspiratory ability or alternatively be prescribed an active device (such as a soft mist inhaler or pressurized metered dose inhaler). Observing the inhalation technique was valuable however this misses suboptimal PIF (approaching one fourth of patients with a satisfactory observed manoeuvre had a suboptimal PIF for their DPI). Assess adherence as deliberate non-adherence can point to a mismatch between a patient and their inhaler (deliberate non-adherence was significantly associated with PIFs below the minimum for the DPI). In-person observation of inhalation technique was found to be inferior to video rating based on device-specific checklists. Where video assessments are not possible, observation training for healthcare professionals would therefore be valuable particularly to improve the ability to identify the critical errors associated with health status namely ‘teeth and lips sealed around mouthpiece’, ‘breathe in’ and ‘breathing out calmly after inhalation’. However, it is recommended that observation alone should not replace PIF measurement in the DPI selection process.Trial registration:https://clinicaltrials.gov/ct2/show/NCT04532853.
A 3D geomodel of the deep aquifers in the Orléans area of the southern Paris Basin (France)
Authors: Mas Perrine , Calcagno Philippe , Caritg-Monnot Séverine , Beccaletto Laurent , Capar Laure , Hamm Virginie 
Published: December 2022

AbstractAn increasing number of cities are interested in deep geothermal energy in order to increase the share of renewable energies in their district heating networks. To reduce the risks related to deep geothermal energy operations, reliable digital models are needed: they make it possible to predict the depth of aquifers away from borehole locations, and their thermal and hydrological evolution by supporting detailed water and heat flow simulations. This paper presents a 3D geomodel developed for this purpose in the southern Paris Basin of France in the Orléans area. The 3D geomodel integrates various data such as reprocessed and interpreted seismic lines, well data, and a pre-existing larger-scale and lower-resolution 3D geological model. The resulting 3D geomodel gives a new and reliable representation of the main aquifers underlying the study area. Within the framework of the project, hydrological and thermal simulations were then performed based on this 3D geomodel. Other environmental investigations (e.g. CO2 storage) and teaching/communication activities could also benefit from the dataset.
The autism risk factor CHD8 is a chromatin activator in human neurons and functionally dependent on the ERK-MAPK pathway effector ELK1
Authors: Haddad Derafshi Bahareh , Danko Tamas , Chanda Soham , Batista Pedro J. , Litzenburger Ulrike , Lee Qian Yi , Ng Yi Han , Sebin Anu , Chang Howard Y. , Südhof Thomas C. , Wernig Marius 
Published: December 2022

AbstractThe chromodomain helicase DNA-binding protein CHD8 is the most frequently mutated gene in autism spectrum disorder. Despite its prominent disease involvement, little is known about its molecular function in the human brain. CHD8 is a chromatin regulator which binds to the promoters of actively transcribed genes through genomic targeting mechanisms which have yet to be fully defined. By generating a conditional loss-of-function and an endogenously tagged allele in human pluripotent stem cells, we investigated the molecular function and the interaction of CHD8 with chromatin in human neurons. Chromatin accessibility analysis and transcriptional profiling revealed that CHD8 functions as a transcriptional activator at its target genes in human neurons. Furthermore, we found that CHD8 chromatin targeting is cell context-dependent. In human neurons, CHD8 preferentially binds at ETS motif-enriched promoters. This enrichment is particularly prominent on the promoters of genes whose expression significantly changes upon the loss of CHD8. Indeed, among the ETS transcription factors, we identified ELK1 as being most highly correlated with CHD8 expression in primary human fetal and adult cortical neurons and most highly expressed in our stem cell-derived neurons. Remarkably, ELK1 was necessary to recruit CHD8 specifically to ETS motif-containing sites. These findings imply that ELK1 and CHD8 functionally cooperate to regulate gene expression and chromatin states at MAPK/ERK target genes in human neurons. Our results suggest that the MAPK/ERK/ELK1 axis potentially contributes to the pathogenesis caused by CHD8 mutations in human neurodevelopmental disorders.
A machine-learned spin-lattice potential for dynamic simulations of defective magnetic iron
Authors: Chapman Jacob B. J. , Ma Pui-Wai 
Published: December 2022

AbstractA machine-learned spin-lattice interatomic potential (MSLP) for magnetic iron is developed and applied to mesoscopic scale defects. It is achieved by augmenting a spin-lattice Hamiltonian with a neural network term trained to descriptors representing a mix of local atomic configuration and magnetic environments. It reproduces the cohesive energy of BCC and FCC phases with various magnetic states. It predicts the formation energy and complex magnetic structure of point defects in quantitative agreement with density functional theory (DFT) including the reversal and quenching of magnetic moments near the core of defects. The Curie temperature is calculated through spin-lattice dynamics showing good computational stability at high temperature. The potential is applied to study magnetic fluctuations near sizable dislocation loops. The MSLP transcends current treatments using DFT and molecular dynamics, and surpasses other spin-lattice potentials that only treat near-perfect crystal cases.
The preparation of polyvinyl imidazole-functionalized magnetic biochar decorated by silver nanoparticles as an efficient catalyst for the synthesis of spiro-2-Amino-4H-pyran compounds
Authors: Mohammadi Leila , Heravi Majid M. , Saljooqi Asma , Mohammadi Pourya 
Published: December 2022

AbstractThe silver nanoparticle was synthesized by developing poly (1-vinylimidazole) on the surface of magnetized biochar (the stem and roots of Spear Thistle) (biochar/Fe3O4/PVIm/Ag). This nanocomposite was characterized by Fourier-transformed infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), vibrating sample magnetometer (VSM), scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM–EDS), and transmission electron microscopy (TEM). The SEM and TEM images of the nanocatalyst, biochar/Fe3O4/PVIm/Ag-NPs, confirmed the observation of microscopic sheets of biochar. The catalytic activity of these Ag NPs was tested via multicomponent reaction plus reusing to successful formation of 2-amino-4H-pyran and functionalized spirochromen derivatives. The prepared nanocatalyst was easily separated by an external magnet and reused in repeating coupling reaction cycles four times without remarkable activity loss. The catalyst showed great efficiency and reusability, thus making it an ideal candidate for catalytic purposes in several organic transformations.
Consciousness alteration in focal epilepsy is related to loss of signal complexity and information processing
Authors: El Youssef Nada , Jegou Aude , Makhalova Julia , Naccache Lionel , Bénar Christian , Bartolomei Fabrice 
Published: December 2022

AbstractAlteration of awareness is a main feature of focal epileptic seizures. In this work, we studied how the information contained in EEG signals was modified during temporal lobe seizures with altered awareness by using permutation entropy (PE) as a measure of the complexity of the signal. PE estimation was performed in thirty-six seizures of sixteen patients with temporal lobe epilepsy who underwent SEEG recordings. We tested whether altered awareness (based on the Consciousness Seizure Score) was correlated with a loss of signal complexity. We estimated global changes in PE as well as regional changes to gain insight into the mechanisms associated with awareness impairment. Our results reveal a positive correlation between the decrease of entropy and the consciousness score as well as the existence of a threshold on entropy that could discriminate seizures with no alteration of awareness from seizures with profound alteration of awareness. The loss of signal complexity was diffuse, extending bilaterally and to the associative cortices, in patients with profound alteration of awareness and limited to the temporal mesial structures in patients with no alteration of awareness. Thus PE is a promising tool to discriminate between the different subgroups of awareness alteration in TLE.
Sperm morphology and performance in relation to postmating prezygotic isolation in two recently diverged passerine species
Authors: Poignet Manon , Baránková Lucie , Reif Jiří , Stopka Pavel , Stopková Romana , Frolikova Michaela , Cramer Emily R. A. , Johnsen Arild , Kverek Pavel , Osiejuk Tomasz S. , Komrskova Katerina , Albrecht Tomáš , Reifová Radka 
Published: December 2022

AbstractDivergence in sperm phenotype and female reproductive environment may be a common source of postmating prezygotic (PMPZ) isolation between species. However, compared to other reproductive barriers it has received much less attention. In this study, we examined sperm morphology and velocity in two hybridizing passerine species, the common nightingale (Luscinia megarhynchos) and thrush nightingale (L. luscinia). In addition, we for the first time characterized a passerine female reproductive tract fluid proteome. We demonstrate that spermatozoa of the common nightingale have significantly longer and wider midpiece (proximal part of the flagellum containing mitochondria) and longer tail compared to spermatozoa of thrush nightingale. On the other hand, they have significantly shorter and narrower acrosome. Importantly, these differences did not have any effect on sperm velocity. Furthermore, the fluid from the reproductive tract of common nightingale females did not differentially affect velocity of conspecific and heterospecific sperm. Our results indicate that the observed changes in the flagellum and acrosome size are unlikely to contribute to PMPZ isolation through differential sperm velocity of conspecific and heterospecific sperm in the female reproductive tract. However, they could affect other postcopulatory processes, which might be involved in PMPZ isolation, such as sperm storage, longevity or sperm-egg interaction.
The relationship between parenting engagement and academic performance
Authors: Derrick Gemma E. , Chen Pei-Ying , van Leeuwen Thed , Larivière Vincent , Sugimoto Cassidy R. 
Published: December 2022

AbstractGender differences in research productivity have been well documented. One frequent explanation of these differences is disproportionate child-related responsibilities for women. However, changing social dynamics around parenting has led to fathers taking an increasingly active role in parenting. This demands a more nuanced approach to understanding the relationship between parenting and productivity for both men and women. To gain insight into associations between parent roles, partner type, research productivity, and research impact, we conducted a global survey that targeted 1.5 million active scientists; we received viable responses from 10,445 parents (< 1% response rate), thus providing a basis for exploratory analyses that shed light on associations between parenting models and research outcomes, across men and women. Results suggest that the gendered effect observed in production may be related by differential engagement in parenting: men who serve in lead roles suffer similar penalties for parenting engagement, but women are more likely to serve in lead roles and to be more engaged across time and tasks, therefore suffering a higher penalty. Taking a period of parental leave is associated with higher levels of productivity; however, the productivity advantage dissipates after six months for the US-sample, and at 12-months for the non-US sample. These results suggest that parental engagement is a more powerful variable to explain gender differences in academic productivity than the mere existence of children, and that policies should factor these labor differentials into account.
A switch from horizontal compression to vertical extension in the Vrancea slab explained by the volume reduction of serpentine dehydration
Authors: Craiu Andreea , Ferrand Thomas P. , Manea Elena F. , Vrijmoed Johannes C. , Mărmureanu Alexandru 
Published: December 2022

AbstractThe Vrancea slab, Romania, is a subducted remnant of the Tethyan lithosphere characterized by a significant intermediate-depth seismicity (60–170 km). A recent study showed a correlation between this seismicity and major dehydration reactions, involving serpentine minerals up to 130 km depth, and high-pressure hydrated talc deeper. Here we investigate the potential link between the triggering mechanisms and the retrieved focal mechanisms of 940 earthquakes, which allows interpreting the depth distribution of the stress field. We observe a switch from horizontal compression to vertical extension between 100 and 130 km depth, where the Clapeyron slope of serpentine dehydration is negative. The negative volume change within dehydrating serpentinized faults, expected mostly sub-horizontal in the verticalized slab, could well explain the vertical extension recorded by the intermediate-depth seismicity. This apparent slab pull is accompanied with a rotation of the main compressive stress, which could favour slab detachments in active subduction zones.
Surrogate “Level-Based” Lagrangian Relaxation for mixed-integer linear programming
Authors: Bragin Mikhail A. , Tucker Emily L. 
Published: December 2022

AbstractMixed-Integer Linear Programming (MILP) plays an important role across a range of scientific disciplines and within areas of strategic importance to society. The MILP problems, however, suffer from combinatorial complexity. Because of integer decision variables, as the problem size increases, the number of possible solutions increases super-linearly thereby leading to a drastic increase in the computational effort. To efficiently solve MILP problems, a “price-based” decomposition and coordination approach is developed to exploit 1. the super-linear reduction of complexity upon the decomposition and 2. the geometric convergence potential inherent to Polyak’s stepsizing formula for the fastest coordination possible to obtain near-optimal solutions in a computationally efficient manner. Unlike all previous methods to set stepsizes heuristically by adjusting hyperparameters, the key novel way to obtain stepsizes is purely decision-based: a novel “auxiliary” constraint satisfaction problem is solved, from which the appropriate stepsizes are inferred. Testing results for large-scale Generalized Assignment Problems demonstrate that for the majority of instances, certifiably optimal solutions are obtained. For stochastic job-shop scheduling as well as for pharmaceutical scheduling, computational results demonstrate the two orders of magnitude speedup as compared to Branch-and-Cut. The new method has a major impact on the efficient resolution of complex Mixed-Integer Programming problems arising within a variety of scientific fields.
Effect of external magnetic field and doping on electronic and thermodynamic properties of planer and buckled silicene monolayer
Authors: Abdi Mona , Norian Erfan , Astinchap Bander 
Published: December 2022

AbstractIn this research, the electronic and thermodynamic properties of the planer and buckled silicene monolayer under an external magnetic field and doping using the tight-binding (TB) model and the Green function approach are investigated. Also, the dependence of the electronic heat capacity and magnetic susceptibility with temperature, external magnetic field, electron, and hole doping for the planer and buckled silicene monolayer is calculated. Our numerical calculation exhibits that the planer and buckled silicene monolayer have a zero band gap. We find that the electronic heat capacity increases (decreases) by applying an external magnetic field, and electron and hole doping at lower (higher) temperatures due to the increase in the thermal energy (scattering and collision) of the charge carriers. Finally, we observe that the planer and buckled silicene monolayer is antiferromagnetic, which is changed to the ferromagnetic phase when an external magnetic field and doping are applied, which makes the silicene monolayer suitable for spintronic applications.
The membrane domain of respiratory complex I accumulates during muscle aging in Drosophila melanogaster
Authors: Hossain Kaniz Fatima Binte , Murari Anjaneyulu , Mishra Bibhuti , Owusu-Ansah Edward 
Published: December 2022

AbstractThe boot-shaped respiratory complex I (CI) consists of a mitochondrial matrix and membrane domain organized into N-, Q- and P-modules. The N-module is the most distal part of the matrix domain, whereas the Q-module is situated between the N-module and the membrane domain. The proton-pumping P-module is situated in the membrane domain. We explored the effect of aging on the disintegration of CI and its constituent subcomplexes and modules in Drosophila flight muscles. We find that the fully-assembled complex remains largely intact in aged flies. And while the effect of aging on the stability of many Q- and N-module subunits in subcomplexes was stochastic, NDUFS3 was consistently down-regulated in subcomplexes with age. This was associated with an accumulation of many P-module subunits in subcomplexes. The potential significance of these studies is that genetic manipulations aimed at boosting, perhaps, a few CI subunits may suffice to restore the whole CI biosynthesis pathway during muscle aging.
Deterministic controlled enhancement of local quantum coherence
Authors: Horová Nikola , Stárek Robert , Mičuda Michal , Kolář Michal , Fiurášek Jaromír , Filip Radim 
Published: December 2022

AbstractWe investigate assisted enhancement of quantum coherence in a bipartite setting with control and target systems, which converts the coherence of the control qubit into the enhanced coherence of the target qubit. We assume that only incoherent operations and measurements can be applied locally and classical information can be exchanged. In addition, the two subsystems are also coupled by a fixed Hamiltonian whose interaction strength can be controlled. This coupling does not generate any local coherence from incoherent input states. We show that in this setting a measurement and feed-forward based protocol can deterministically enhance the coherence of the target system while fully preserving its purity. The protocol can be iterated and several copies of the control state can be consumed to drive the target system arbitrarily close to a maximally coherent state. We experimentally demonstrate this protocol with a photonic setup and observe the enhancement of coherence for up to five iterations of the protocol.
The impact of nitroglycerine and volume on gastric tube microperfusion assessed by indocyanine green fluorescence imaging
Authors: von Kroge Philipp H. , Russ Detlef , Rieß Henrik C. , Debus Eike S. , Pinnschmidt Hans. O. , Izbicki Jakob R. , Mann Oliver , Wipper Sabine H. , Duprée Anna 
Published: December 2022

AbstractThe influence of hypervolemia and intraoperative administration of nitroglycerine on gastric tube microperfusion remains unclear The present study aimed to investigate the impact of different hemodynamic settings on gastric tube microperfusion quantified by fluorescence imaging with Indocyanine green (ICG-FI) as a promising tool for perfusion evaluation. Three groups with seven pigs each were formed using noradrenaline, nitroglycerin, and hypervolemia for hemodynamic management, respectively. ICG-FI, hemodynamic parameters, and transit-time flow measurement (TTFM) in the right gastroepiploic artery were continuously assessed. Fluorescent microspheres (FM) were administered, and the partial pressure of tissue oxygen was quantified. The administration of nitroglycerine and hypervolemia were both associated with significantly impaired microperfusion compared to the noradrenaline group quantified by ICG-FI. Even the most minor differences in microperfusion could be sufficiently predicted which, however, could not be represented by the mean arterial pressure measurement. Histopathological findings supported these results with a higher degree of epithelial damage in areas with impaired perfusion. The values measured by ICG-FI significantly correlated with the FM measurement. Using tissue oxygenation and TTFM for perfusion measurement, changes in microperfusion could not be comprehended. Our results support current clinical practice with restrictive volume and catecholamine administration in major surgery. Hypervolemia and continuous administration of nitroglycerine should be avoided.
Association between ranitidine use with potential NDMA impurities and risk of cancer in Korea
Authors: Joung Kyung-In , Hwang Jung Eun , Oh In-Sun , Cho Sung-il , Shin Ju-Young 
Published: December 2022

AbstractN-Nitrosodimethylamine (NDMA) detected above the acceptable level in ranitidine products has been a great global concern. To examine the risk of cancer among people treated with ranitidine, we conducted a cohort study using the National Health Insurance Service-National Sample Cohort data (2002–2015) of South Korea. Patients were aged 40 or above as of January 2004 and began receiving ranitidine or other histamine-2 receptor antagonist (H2RA), active comparator, without a history of H2RAs prescription during the prior 2-years. The lag time was designated up to 6 years. The outcomes were an overall incident cancer risk and the risk of major single cancers during the follow-up. The association between ranitidine use and cancer risk was examined by Cox regression model. After exclusion and propensity score matching, 25,360 patients were available for analysis. The use of ranitidine was not associated with the overall cancer risk and major individual cancers [overall cancer: incidence rate per 1000 person-years, 2.9 vs 3.0 among the ranitidine users and other H2RAs users, respectively; adjusted hazard ratio (HR) and 95% confidence interval (95% CI) for all cancers, 0.98 (0.81–1.20)]. The higher cumulative exposure to ranitidine did not increase the cancer risk. Given the insufficient follow-up period, these findings should be interpreted carefully.