bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation of cleaning effect for airport runway lamps by using baking soda powder
Authors: Zhao Yang , Ge Xiaohong , Wang Xing , Yue Ke’an , Chen Yi , Wang Jinhuo
Published: January 2022

In order to ensure the bright effect of airport navigation lights, dry powder cleaning technology was adopted in this paper to improve the efficiency of removing sticky dirt on the lamp surface. The atomization scheme by mixing dry powder with water was designed through deliberately selecting the appropriate injection nozzle structure to reduce impact of powder pollution on the environment. Both simulation analysis and experimental testing showed that the overall cleaning effect and the atomization scheme were feasible, which reduce the dust pollution by more than 90%.
The vulnerability of British aquatic insects to climate change
Authors: Macadam Craig R. , England Judy , Chadd Richard
Published: January 2022

Freshwater ecosystems are particularly at risk from climate change due to the intrinsic link between the physical properties of the water environment and those species that live there. Mayflies, stoneflies and caddisflies are key indicators of the health of freshwater environments and their biological traits and ecological preferences determine their vulnerability to climate change. Traits and preferences for 289 British species were analysed, with voltinism, length of flight period, altitudinal preference and affinity to headwaters being the main factors causing vulnerability. Sixteen species were deemed to be at risk from climate change. These species are distributed across Great Britain, but particular hotspots of vulnerability are present in upland areas. These areas should be targeted with mitigation measures to reduce the impacts of climate change on populations of aquatic insects.
Panzytopenie und B-Symptomatik – unerwartetes Souvenir?
Authors: Gebel Benjamin , Rupp Jan , Kramme Evelyn
Published: January 2022

Anamnese und klinischer Befund Die Vorstellung des 79-jährigen Patienten erfolgte bei rezidivierenden Fieberepisoden, Gewichtsverlust, Nachtschweiß, deutlicher Abnahme der Belastbarkeit sowie flächigen Hämatomen an den Extremitäten.

Untersuchungen In der durchgeführten Laboruntersuchung zeigte sich eine Panzytopenie bei eingeschränkter Nierenfunktion sowie erhöhtem CRP. Sonografisch konnte eine Splenomegalie nachgewiesen werden. Es erfolgte eine Knochenmarkspunktion.

Diagnose In der Knochenmarkbiopsie konnte histologisch die Diagnose einer viszeralen Leishmaniasis gestellt werden, welche mittels PCR aus dem peripheren Blut bestätigt wurde.

Therapie und Verlauf Unter der Therapie mit liposomalem Amphotericin B kam es zu einer deutlichen Besserung der Panzytopenie sowie einem Abfall des CRP. Die Nierenfunktion erholte sich nach initialer Verschlechterung nur langsam. Fieber trat nicht mehr auf.

Folgerung Bei Vorliegen einer Panzytopenie mit entsprechender klinischer Symptomatik sollte bei möglicher Exposition auch bei vermeintlich immunkompetenten Patienten an eine viszerale Leishmaniasis gedacht werden.
Windenergieanlagen und Infraschall: Keine Evidenz für gesundheitliche Beeinträchtigungen – eine physikalische, medizinische und gesellschaftliche Einordnung
Authors: Koch Susanne , Holzheu Stefan , Hundhausen Martin
Published: January 2022

Aufgrund der Diskussion über gesundheitliche Folgen von Schallemissionen und Infraschall von Windenergieanlagen, fassen wir hier im Rahmen eines narrativen Reviews die Studienlage zusammen und stellen die physikalischen Fakten vor. Infraschall unterschiedlichster Quellen umgibt uns täglich, wobei Windenergieanlagen keine besonders hohen Emissionen verursachen. Epidemiologische Studien zeigen keinen Zusammenhang zwischen Windenergieanlagen und der Inzidenz von Diabetes mellitus, Herzinfarkten, Schlaganfällen und Bluthochdruck; nur eine häufigere Verschreibung von Schlafmitteln war nachweisbar. Allerdings zeigen objektiv erhobene Schlafparameter keine Assoziation zu Windenergieanlagen. Gesundheitliche Klagen treten vermehrt auf, wenn Anti-Windkraft-Gruppen aktiv sind, was dafürspricht, dass psychogene Einflüsse und Nocebo-Effekte eine wichtige Rolle spielen. Bei fehlender wissenschaftlicher Evidenz für gesundheitliche Beeinträchtigungen durch Windenergieanlagen ist ein Ausbremsen des Ausbaus erneuerbarer Energien nicht zu rechtfertigen.
The First 4 Years – Outcome of Children Identified by Newborn
Screening for CF in Germany
Authors: Schütz Katharina , Kontsendorn Julia , Janzen Nils , Fuge Jan , Grewendorf Simon , Klemann Christian , Happle Christine , Junge Sibylle , Rudolf Isa , Dopfer Christian , Sedlacek Ludwig , Renz Diane , Hansen Gesine , Dittrich Anna-Maria
Published: January 2022

Background Newborn screening (NBS) has been shown to improve cystic
fibrosis (CF) disease course and has been widely implemented worldwide. This
monocentric study compared children diagnosed by NBS vs. a cohort preceding the
implementation of NBS in Germany in 2016 to evaluate ascribed benefits of
NBS.

Methods We compared all children with confirmed CF diagnosis
(n=19, “NBS group”) out of all children presenting with
positive NBS at our center after implementation of NBS (n=100) to
children diagnosed with CF at our center within 4 years before NBS
implementation (n=29, “pre-NBS group”) for outcomes of
anthropometry, gastrointestinal and pulmonary disease manifestations and
respiratory microbiology.

Results Children diagnosed by NBS had a lower incidence of initial
difficulty to thrive (15 vs. 41%) and showed higher mean z-scores for
Body-Mass-Index (BMI), weight and length at diagnosis and during study period.
Children in the pre-NBS group displayed higher proportions of oxygen-dependent
pulmonary exacerbations (10 vs. 0%). They show a significantly lower
amount of normal bacterial flora (p=0.005) along with a significantly
higher number of throat swab cultures positive for Pseudomonas aeruginosa
(p=0.0154) in the first year of life. Yet, pulmonary imaging did not
reveal less pulmonary morbidity in the NBS group.

Conclusions Our results confirm that NBS for CF leads to earlier diagnosis
and improves nutritional outcomes in early childhood. Although trajectories of
structural lung damage at early age were unaffected by NBS, NBS positive CF
patients at preschool age displayed less pulmonary exacerbations and
pathological bacteria in throat swabs.
Impact of expert center endoscopic assessment of confirmed low grade dysplasia in Barrett’s esophagus diagnosed in community hospitals
Authors: Nieuwenhuis Esther A. , van Munster Sanne N. , Curvers Wouter L. , Weusten Bas L. A. M. , Alvarez Herrero Lorenza , Bogte Auke , Alkhalaf Alaa , Schenk B. Ed , Koch Arjun D. , Spaander Manon C. W. , Tang Thjon J. , Nagengast Wouter B. , Westerhof Jessie , Houben Martin H. M. G. , Bergman Jacques J.G.H.M. , Schoon Erik J. , Pouw Roos E. ,   on behalf of the Dutch Barrett Expert Centers
Published: January 2022

Background The optimal management for patients with low grade dysplasia (LGD) in Barrett’s esophagus (BE) is unclear. According to the Dutch national guideline, all patients with LGD with histological confirmation of the diagnosis by an expert pathologist (i. e. “confirmed LGD”), are referred for a dedicated re-staging endoscopy at an expert center. We aimed to assess the diagnostic value of re-staging endoscopy by an expert endoscopist for patients with confirmed LGD.

Methods This retrospective cohort study included all patients with flat BE diagnosed in a community hospital who had confirmed LGD and were referred to one of the nine Barrett Expert Centers (BECs) in the Netherlands. The primary outcome was the proportion of patients with prevalent high grade dysplasia (HGD) or cancer during re-staging in a BEC.

Results Of the 248 patients with confirmed LGD, re-staging in the BEC revealed HGD or cancer in 23 % (57/248). In 79 % (45/57), HGD or cancer in a newly detected visible lesion was diagnosed. Of the remaining patients, re-staging in the BEC showed a second diagnosis of confirmed LGD in 68 % (168/248), while the remaining 9 % (23/248) had nondysplastic BE.

Conclusion One quarter of patients with apparent flat BE with confirmed LGD diagnosed in a community hospital had prevalent HGD or cancer after re-staging at an expert center. This endorses the advice to refer patients with confirmed LGD, including in the absence of visible lesions, to an expert center for re-staging endoscopy.
Psychiatric Manifestations in Patients with Biopterin Defects
Authors: Parfyonov Maksim , Friedlander Robin , Banno Brian , Elbe Dean , Horvath Gabriella
Published: January 2022

Psychiatric manifestations in patients with tetrahydrobiopterin (BH4) defects are common, and may occur even with treatment of the underlying disorder. The neurobiological background of these conditions has been linked to abnormalities of neurotransmitters, such as dopamine, serotonin, norepinephrine, and gamma-aminobutyric acid. Here, we review the psychiatric profile of all patients with BH4 defects followed in the pediatric and adult metabolic clinics at our center. Three patients with autosomal recessive (AR) guanosine triphosphate cyclohydrolase (GTPCH) deficiency and three patients with 6-pyruvoyl tetrahydropterin synthase (PTPS) deficiency were reviewed.

All patients had behavioral disturbances and two had significant psychiatric comorbidities. These included attention deficit/hyperactivity disorder, anxiety, depression, aggression, or oppositional defiant disorder. One patient with PTPS deficiency had a severe psychiatric presentation, requiring inpatient admission and temporary placement into foster care for intensive behavioral therapy. Another with AR GTPCH deficiency was diagnosed with aggressive behavioral dysregulation requiring intensive psychiatric treatment. Management of the psychiatric manifestations of BH4 defects can be challenging, due to lack of information and studies of interactions between psychiatric medications on the deficient neurotransmitters and their receptors in these conditions. Further studies are needed to establish safety and efficacy of these treatments.
Probability weighting and insurance demand in a unified framework
Authors: Jaspersen Johannes G. , Peter Richard , Ragin Marc A.
Published: January 2022

We provide a comprehensive analysis of the impact of probability weighting on optimal insurance demand in a unified framework. We identify decreasing relative overweighting as a new local condition on the probability weighting function that is useful for comparative static analysis. We discuss the effects of probability weighting on coinsurance, deductible choice, insurance demand for low-probability, high-impact risks versus high-probability, low-impact risks, and insurance demand in the presence of nonperformance risk. Probability weighting can make better or worse predictions than expected utility depending on the insurance demand problem at hand.
Beam particle identification and tagging of incompletely stripped heavy beams with HEIST
Authors: Anthony A. K. , Niu C. Y. , Wang R. S. , Wieske J. , Brown K. W. , Chajecki Z. , Lynch W. G. , Ayyad Y. , Barney J. , Baumann T. , Bazin D. , Beceiro-Novo S. , Boza J. , Chen J. , Cook K. J. , Cortesi M. , Ginter T. , Mittig W. , Pype A. , Smith M. K. , Soto C. , Sumithrarachchi C. , Swaim J. , Sweany S. , Teh F. C. E. , Tsang C. Y. , Tsang M. B. , Watwood N. , Wuosmaa A. H.
Published: January 2022

A challenge preventing successful inverse kinematics measurements with heavy nuclei that are not fully stripped is identifying and tagging the beam particles. For this purpose, the HEavy ISotope Tagger (HEIST) has been developed. HEIST utilizes two micro-channel plate timing detectors to measure the time-of-flight, a multi-sampling ion chamber to measure energy loss, and a high-purity germanium detector to identify isomer decays and calibrate the isotope identification system. HEIST has successfully identified 198Pb and other nearby nuclei at energies of about 75 MeV/A. In the experiment discussed, a typical cut containing 89% of all 198Pb80+ in the beam had a purity of 86%. We examine the issues of charge state contamination. The observed charge state populations of these ions are presented and, using an adjusted beam energy, are well described by the charge state model GLOBAL.
Control of plasmonic field enhancement by mode-mixing
Authors: Pápa Zsuzsanna , Sándor Péter , Lovász Béla , Budai Judit , Kasza József , Márton Zsuzsanna , Jójárt Péter , Seres Imre , Bengery Zsolt , Németh Csaba , Dombi Péter , Rácz Péter
Published: January 2022

We demonstrate experimentally that nanoscale control of plasmonic field enhancement becomes available by changing the polarization state of light. This is revealed by photoelectron emission from plasmonic nanorods illuminated with linearly and circularly polarized femtosecond laser pulses. Simulations show that the tunability of the field enhancement originates from the mode-mixing property of circularly polarized illumination, meaning simultaneous excitation of multiple plasmon modes of the nanostructures. Performing trajectory calculations of the photoemitted electrons, we prove that the kinetic energy scaling law remains the same irrespective to the polarization state.
Enhanced piezoelectric performance of ceramic-polymer composite cantilevers with thin metal substrates
Authors: Siponkoski Tuomo K. , Jantunen Heli M. , Juuti Jari A.
Published: January 2022

In this work, the electromechanical properties of a lead zirconate titanate-poly(vinylidenefluoride-trifluoroethylene) ceramic-polymer composite on thin brass and steel substrates were investigated. Samples were stencil printed on metal foils and cured at 120 °C. The effective transverse piezoelectric coefficient (d31eff) was calculated by utilizing the converse piezoelectric effect and measuring the displacement of a cantilever sample’s tip in an electric field. Interestingly, the results showed improved piezoelectric properties with the stiffer steel substrate samples. The highest d31eff achieved was about −22 pm/V, which was 29% higher than in samples printed on brass foil (−17 pm/V). Both are substantially higher compared to the coefficients reported with similar ceramic-polymer composites on polymer substrates. The improvement is suggested to originate from the prevention of buckling effects and more effective bending deformation, while the structure remained flexible. Due to the high effective values of d31 and g31, the developed material and cantilever structures are feasible for both sensor and energy harvesting applications.
Investigation on spatial evolutions of two- and three-dimensional modes in a laminar separation bubble over a low-pressure turbine cascade
Authors: Jiang Si-Ya , Fu Song
Published: January 2022

Separation-induced transition under a low level of freestream turbulence is investigated via direct numerical simulation of flow over a low-pressure turbine cascade. The results are comprehensively analyzed in physical and Fourier spaces to elucidate the mechanisms of flow transition in the shear layer and the recirculation region of the separation bubble. It is observed that the instability process in the upstream attached boundary layer provides considerable low-frequency waves to the separated shear layer. As a result, intense nonlinear effects occur in the shear layer leading to the growth of two-dimensional waves with low to high frequencies in sequence and, eventually, giving rise to the most-amplified wave associated with the vortex-shedding frequency. Inside the recirculation region, the corresponding two-dimensional waves are induced showing the evidence for previous research on receptivity. Different from the downstream propagation of two-dimensional waves, the collision and merging of upstream- and downstream-propagating oblique waves contribute to the initiation of three-dimensional fluctuations. The subsequent three-dimensionality of the shear layer is closely associated with the growth of three fundamental oblique waves with large spanwise wavelengths. It is illustrated that these characteristic modes correspond to λ-shaped vortices and continuously developing hairpin vortex chains.
Modification of the surface energy and morphology of GaN monolayers on the AlN surface in an ammonia flow
Authors: Maidebura Y. E. , Malin T. V. , Zhuravlev K. S.
Published: January 2022

Based on theoretical predictions, it has been demonstrated that it is possible to purposefully change the elemental composition and position of the adsorbed particles on the GaN surface, thereby controlling the surface energy and morphology of GaN. Comparison of experimental data obtained by reflected high-energy electron diffraction and the calculated concentration of ammonia fragments on the GaN surface, and surface energy showed that the movement of adsorbed ammonia fragments into strongly bound states is an effective mechanism to control the GaN morphology. The minimum value of equivalent NH3 beam pressure at different temperatures to prevent the conversion of the two-dimensional (2D) GaN layer to three-dimensional (3D) islands has been established. It was shown that the boundary between the 2D and 3D states on the surface is defined by the elemental composition of adsorbed particles on the surface and the temperature dependence of the surface energy of the facets of islands.
Interrogating an in silico model to determine helium plasma jet and chemotherapy efficacy against B16F10 melanoma cells
Authors: Gazeli K. , Hadjicharalambous M. , Ioannou Eleftherios , Gazeli O. , Lazarou C. , Anastassiou C. , Svarnas P. , Vavourakis V. , Georghiou G. E.
Published: January 2022

We developed an in silico approach to model B16F10 melanoma cell response to a helium atmospheric pressure plasma jet (APPJ) or/and doxorubicin drug (DOX). The in silico model is informed by relevant data from previously published in vitro experiments (cancer cell viability), providing detailed information on (i) cell population number (Ncell) development during incubation and (ii) probability values for apoptosis (%PApoptosis) and mitosis (%PMitosis) following cell subjection to the plasma-conditioned RPMI-1640 medium (PC-RPMI), DOX, and DOX combined with APPJ. When treating cancer cells with PC-RPMI and DOX separately, at the smallest plasma duration (dPlasma = 15 s) and DOX concentration (cDOX = 0.05 μM), only a small decline in Ncell, an increase in %PApoptosis, or/and a decrease in %PMitosis are measured with respect to the control conditions (non-treated cancer cells). However, cell cytotoxicity is increasingly enhanced with increasing dPlasma and cDOX up to 120 s and 0.5 μM, respectively. At those highest values studied in in silico, simulated %PApoptosis are significantly larger than %PMitosis, resulting in a severe decrease in Ncell compared to control in agreement with the corresponding in vitro experiments. Furthermore, cell treatments combining the smallest two cDOX (0.05 and 0.1 μM) with dPlasma = 15 s result in smaller Ncell, larger %PApoptosis, and lower %PMitosis compared to PC-RPMI and DOX effects alone. The present in silico model is particularly useful in the plasma (cancer) medicine field since it can effectively simulate and quantify responses of various cancers to APPJ or/and cancer drugs being strongly complementary to in vitro experiments.
Observation of magnetoelectric effect in the S = 1/2 spin chain compound CoSe2O5 single crystal
Authors: Lin L. , Tang Y. S. , Huang L. , Zhai W. J. , Zhou G. Z. , Zhang J. H. , Liu M. F. , Li G. Y. , Li X. Y. , Yan Z. B. , Liu J.-M.
Published: January 2022

The antiferromagnetic structure in the S = 1/2 zigzag spin chain compound CoSe2O5 was recently revealed by neutron scattering. Herein, we provide clear evidence for the linear ME coupling through systematic investigations on magnetic, dielectric, and ferroelectric properties. The simultaneous responses of the b-axis electric polarization (Pb) and dielectric anomaly (εb) against magnetic stimuli along the c-axis are revealed. In addition, both the ferroelectric transition and dielectric anomaly shift from the magnetic Néel temperature TN ∼ 8.5 K toward the low temperature under increasing H applied along the c-axis, providing clear evidence for the magnetism-driven ferroelectricity. The observed off diagonal linear ME effect is in accordance with the prediction based on ME tensor analysis for the magnetic space group Pb′cn. Consequently, our results may allow an interesting opportunity to further exploration of intriguing phenomena and physics of ferrotoroidicity in this linear-ME compound CoSe2O5 due to the existence of the off diagonal term in the ME tensor, similar to the case for LiCoPO4.
Distinctive Nb–O hybridization at domain walls in orthorhombic KNbO3 ferroelectric perovskite
Authors: Thong Hao-Cheng , Xu Ben , Wang Ke
Published: January 2022

Niobate-based ferroelectric perovskites have been an important group of functional materials. Since the formation and dynamics of domain walls are decisive to the properties of ferroelectrics, in this study, a representative orthorhombic niobate-based ferroelectric perovskite, i.e., KNbO3, is studied by using first-principles calculation. Three types of domain walls with permissible walls located at crystallographic planes, including uncharged 180°, 120°, and 90° domain walls, are selected for simulation. The formation energy, intrinsic energy barrier of domain-wall motion, and the electronic configuration are systematically analyzed. We discover that the formation energy is associated with the variation of Nb–O hybridization at the domain wall, while the intrinsic energy barrier of the domain-wall motion depends on the dynamical change of Nb–O hybridization along the transition path. Therefore, we propose that the Nb–O hybridization plays a critical role in the formation and motion of domain walls in niobate-based ferroelectrics.
Tuning intrinsic photoluminescence from light-emitting multispectral nanoporous anodic alumina photonic crystals
Authors: Acosta Laura K. , Law Cheryl Suwen , Santos Abel , Ferré-Borrull Josep , Marsal Lluis F.
Published: January 2022

To control and harness the intrinsic photoluminescence of solid-state, light-emitting materials produced by self-organization approaches remain challenging. This study demonstrates how the intrinsic broadband photoluminescence emission from nanoporous anodic alumina (NAA) produced by anodization of aluminum in oxalic acid electrolyte can be precisely tuned by engineering its structure in the form of photonic crystals (PCs). A combination of pulse and constant anodization in distinct acid electrolytes makes it possible to engineer a novel heterogeneous optical structure consisting of two layers: (i) a non-emitting, light-filtering layer in the form of multi-spectral nanoporous anodic alumina photonic crystals (MS–NAA–PCs) on its top (i.e., 58 µm thick and average pore diameter of 17 nm) and (ii) an intrinsically light-emitting layer of NAA at its bottom (i.e., 50 µm thick an average pore diameter of 40 nm). MS–NAA–PCs are engineered to feature three intense, well-resolved photonic stopbands (PSBs), the positions of which are spaced at specific regions of the visible spectrum from ∼380 to 560 nm. It is demonstrated that the PSBs of the non-emitting MS–NAA–PCs on top of the heterogeneous optical structure act as a light-filtering component, which makes it possible to narrow and tune the characteristically broad, Gaussian-like photoluminescence emission from the underlying light-emitting NAA layer. This structural design makes it possible to narrow the width of photoluminescence emission up to ∼50 nm and blue shift its position for ∼15 nm. Our advances pave the way for novel designs of intrinsic, light-emitting NAA-based PC structures, which could find broad applicability across light technologies, such as sensing and biosensing, photodetection, and solar light harvesting.
Ultrasound-guided system for light focusing using microbubbles generated from polytetrafluoroethylene nanoparticles
Authors: Hsieh Zong-Han , Fan Ching-Hsiang , Li Meng-Lin , Yeh Chih-Kuang
Published: January 2022

Intrinsic lipid and protein components in biological tissues hamper the translation of light-related techniques to in vivo applications and highlight the need for strategies to improve photon trafficking. To meet this demand, we propose a method for the production of transient micro-sized bubbles to improve the local light intensity in the scattering medium by combining ultrasound and super hydrophobic polytetrafluoroethylene nanoparticles (PTFE NPs) with a mean size of 350 nm. The underlying idea was to convert the initial Rayleigh scattering effect into a Mie scattering effect to reduce loss during light propagation. The Monte Carlo simulation confirmed our hypothesis that only a specific size of microbubbles would increase light propagation. By fine-tuning the acoustic parameters (1.5 MPa, 100 cycles, and 10 Hz of pulse repetition frequency) and PTFE NPs' concentration (0.05 mg/ml), shell-less microbubbles were transiently and locally generated, resulting in a reduction in the scattering coefficient of the medium and improving the delivered light fluence by 6.2%. The experimental results further confirmed that only microbubbles of the proper size could repeatedly increase the light propagation. This method may be suitable for in vivo deep-tissue optical applications such as the delivery of PTFE NPs to deep tumor regions to increase the efficiency of photothermal therapy.
Thickness dependence of quantum transport in the topological superconductor candidate SnTaS2
Authors: Zhu Mengcheng , Chen Dong , Zhu Ankang , Wu Yuelong , Han Minglong , Han Yuyan , Zheng Guolin , Gao Wenshuai , Tian Mingliang
Published: January 2022

We present the thickness dependence of magnetotransport study on the mechanically exfoliated topological superconductor candidate SnTaS2. As the thickness decreases, the superconducting transition temperature Tc is gradually suppressed and ultimately out of detection when the thickness is comparable to the superconducting coherence length. The enhanced disorder with the decrease in thickness is expected to play an important role on the suppressed Tc. Furthermore, the distinct weak antilocalization effect is observed in the SnTaS2 nanoflakes, and the temperature-dependent phase coherence length extracted from weak antilocalization agrees with strong electron–phonon scattering in the sample. Our results provide insight into the electronic properties in the low dimensional limit of topological superconductor candidate SnTaS2.
Phase transitions affected by natural and forceful molecular interconversion
Authors: Longo Thomas J. , Anisimov Mikhail A.
Published: January 2022

If a binary liquid mixture, composed of two alternative species with equal amounts, is quenched from a high temperature to a low temperature, below the critical point of demixing, then the mixture will phase separate through a process known as spinodal decomposition. However, if the two alternative species are allowed to interconvert, either naturally (e.g., the equilibrium interconversion of enantiomers) or forcefully (e.g., via an external source of energy or matter), then the process of phase separation may drastically change. In this case, depending on the nature of interconversion, two phenomena could be observed: either phase amplification, the growth of one phase at the expense of another stable phase, or microphase separation, the formation of nongrowing (steady-state) microphase domains. In this work, we phenomenologically generalize the Cahn–Hilliard theory of spinodal decomposition to include the molecular interconversion of species and describe the physical properties of systems undergoing either phase amplification or microphase separation. We apply the developed phenomenology to accurately describe the simulation results of three atomistic models that demonstrate phase amplification and/or microphase separation. We also discuss the application of our approach to phase transitions in polyamorphic liquids. Finally, we describe the effects of fluctuations of the order parameter in the critical region on phase amplification and microphase separation.
Magnetic correlations of iron oxide nanoparticles as probed by polarized SANS in stretched magnetic nanoparticle–elastomer composites
Authors: Oberdick S. D. , Borchers J. A. , Krycka K. L.
Published: January 2022

We have investigated the magnetic correlations among 7 nm iron oxide nanoparticles embedded in stretched silicone elastomers using polarized Small Angle Neutron Scattering (SANS). The magnetic nanoparticle (MNP)-elastomer composite can be stretched during experiments, and macroscopic deformations cause rearrangement of the iron oxide particles on the nanoscale. Polarized neutrons can be used to nondestructively probe the arrangement of magnetic nanoparticles before and after stretching, so that the relationship between applied stress and nanoscale magnetization can be interrogated. We find that stretching the MNP-elastomer composite past a certain threshold dramatically changes the structural and magnetic morphology of the system. The unstretched sample is modeled well by ∼40 nm clusters of ∼7 nm particles arranged in a hard sphere packing with a “volume fraction” parameter of 0.3. After the sample is stretched 3× its original size, however, the scattering data can be modeled by smaller, 16 nm clusters with a higher volume fraction of 0.4. We suggest that the effect can be understood by considering a stretching transformation on FCC-like crystallites of iron oxide nanoparticles embedded in an elastomeric medium.
Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method acceleration
Authors: Stein Frederick , Hutter Jürg
Published: January 2022

Due to their improved accuracy, double-hybrid density functionals emerged as an important method for molecular electronic-structure calculations. The high computational costs of double-hybrid calculations in the condensed phase and the lack of efficient gradient implementations thereof inhibit a wide applicability for periodic systems. We present an implementation of forces and stress tensors for double-hybrid density functionals within the Gaussian and plane-waves electronic structure framework. The auxiliary density matrix method is used to reduce the overhead of the Hartree–Fock kernel providing an efficient and accurate methodology to tackle condensed phase systems. First applications to water systems of different densities and molecular crystals show the efficiency of the implementation and pave the way for advanced studies. Finally, we present large benchmark systems to discuss the performance of our implementation on modern large-scale computers.
Hydrogen-bonding and nuclear quantum effects in clays
Authors: Kurapothula Pawan K. J. , Shepherd Sam , Wilkins David M.
Published: January 2022

Hydrogen bonds are of paramount importance in the chemistry of clays, mediating the interaction between the clay surface and water, and for some materials between separate layers. It is well-established that the accuracy of a computational model for clays depends on the level of theory at which the electronic structure is treated. However, for hydrogen-bonded systems, the motion of light H nuclei on the electronic potential energy surface is often affected by quantum delocalization. Using path integral molecular dynamics, we show that nuclear quantum effects lead to a relatively small change in the structure of clays, but one that is comparable to the variation incurred by treating the clay at different levels of electronic structure theory. Accounting for quantum effects weakens the hydrogen bonds in clays, with H-bonds between different layers of the clay affected more than those within the same layer; this is ascribed to the fact that the confinement of an H atom inside a layer is independent of its participation in hydrogen-bonding. More importantly, the weakening of hydrogen bonds by nuclear quantum effects causes changes in the vibrational spectra of these systems, significantly shifting the O–H stretching peaks and meaning that in order to fully understand these spectra by computational modeling, both electronic and nuclear quantum effects must be included. We show that after reparameterization of the popular clay forcefield CLAYFF, the O–H stretching region of their vibrational spectra better matches the experimental one, with no detriment to the model’s agreement with other experimental properties.
Excited states of lutetium oxide and its singly charged cation
Authors: Wu Lu , Schoendorff George , Zhang Yuchen , Roudjane Mourad , Gordon Mark S. , Yang Dong-Sheng
Published: January 2022

Vibronic spectra of lutetium oxide (LuO) seeded in supersonic molecule beams are investigated with mass-analyzed threshold ionization (MATI) spectroscopy and second-order multiconfigurational quasi-degenerate perturbation (MCQDPT2) theory. Six states of LuO and four states of LuO+ are located by the MCQDPT2 calculations, and an a3Π(LuO+) ← C2Σ+ (LuΟ) transition is observed by the MATI measurement. The vibronic spectra show abnormal vibrational intervals for both the neural and cation excited states, and the abnormality is attributed to vibrational perturbations induced by interactions with neighboring states.
Conclusion and Future Perspective
Authors: Asavanant Warit , Furusawa Akira
Published: January 2022

Although we have seen the development of the continuous-variable quantum computation using the optical system throughout this book, there are still many hurdles we have to overcome. In this chapter, we will review what we have discussed in this book and give future perspectives of what must be done to reach the ultimate goal of realizing the quantum computer.
ASK1 signaling regulates phase-specific glial interactions during neuroinflammation
Authors: Guo Xiaoli , Kimura Atsuko , Namekata Kazuhiko , Harada Chikako , Arai Nobutaka , Takeda Kohsuke , Ichijo Hidenori , Harada Takayuki
Published: January 2022

Significance

Neuroinflammation is associated with many neurodegenerative diseases such as Alzheimer’s disease and multiple sclerosis (MS). Thus, decreasing neuroinflammation may be a promising treatment for these diseases. Apoptosis signal-related kinase 1 (ASK1) has been shown to cause neuroinflammation in neurodegenerative disease models, but its mechanism of action has been unclear. Here, we generated conditional knockout mice that lack ASK1 in T cells, dendritic cells, microglia/macrophages, microglia, or astrocytes, to assess the roles of ASK1 during experimental autoimmune encephalomyelitis (EAE), a mouse model of MS. We propose that ASK1 is required in microglia and astrocytes to cause and maintain neuroinflammation by a feedback loop between these two cell types.
Predicted wind and solar energy expansion has minimal overlap with multiple conservation priorities across global regions
Authors: Dunnett Sebastian , Holland Robert A. , Taylor Gail , Eigenbrod Felix
Published: January 2022

Significance

Conservation scientists warn of the threat to area-based conservation posed by renewable energy infrastructure. Here, we show that the current and near-term overlap of the two land uses need not be as severe as previously suggested. This is important, as global efforts to decarbonize energy systems are central to mitigating against climate change and the strong negative impacts of projected climate change on biodiversity.
The embryonic node behaves as an instructive stem cell niche for axial elongation
Authors: Solovieva Tatiana , Lu Hui-Chun , Moverley Adam , Plachta Nicolas , Stern Claudio D.
Published: January 2022

Significance

Previous studies have suggested that the amniote node (Hensen’s node) contains a small population of self-renewing resident cells whose progeny progressively lay down axial tissues, including notochord and somites. This can only be demonstrated definitively at the level of single cells. Here we ask whether the node is an environment that can confer this behavior on cells that enter it. We challenge single cells in vivo and mRNA-profile these cells to demonstrate that the node can indeed do this, and thus show that the node acts as an instructive niche.
Preferences predict who commits crime among young men
Authors: Epper Thomas , Fehr Ernst , Hvidberg Kristoffer Balle , Kreiner Claus Thustrup , Leth-Petersen Søren , Nytoft Rasmussen Gregers
Published: January 2022

Significance

Who commits crime? Theoretically, risk-tolerant and impatient people are more likely to commit crime because they care less about the risks of apprehension and punishment. By linking experimental data on risk tolerance and impatience of young men to administrative crime records, we find empirical support for this hypothesis. For example, crime rates are 8 to 10 percentage points higher for the most risk-tolerant people compared to the most risk averse. A theoretical implication is that those who are most prone to commit crime are also those who are least responsive to stricter law enforcement. Risk tolerance and impatience significantly predict property crime, while self-control is a stronger predictor of crimes of passion (violent, drug, and sexual offenses).
The cardiac-enriched microprotein mitolamban regulates mitochondrial respiratory complex assembly and function in mice
Authors: Makarewich Catherine A. , Munir Amir Z. , Bezprozvannaya Svetlana , Gibson Aaron M. , Young Kim Soo , Martin-Sandoval Misty S. , Mathews Thomas P. , Szweda Luke I. , Bassel-Duby Rhonda , Olson Eric N.
Published: January 2022

Significance

Microproteins are a growing class of versatile small proteins previously overlooked by standard gene annotation methods due to their small size. Here we characterize mitolamban as a cardiac-enriched inner mitochondrial membrane–localized microprotein, which interacts with complex III of the electron transport chain and contributes to complex III assembly and function. Mitolamban gene deletion in mice leads to a reduction in complex III activity and metabolic perturbations in the heart that are consistent with complex III deficiency, as well as altered complex III assembly into respiratory supercomplexes. These findings define a functional role for mitolamban in the heart and highlight the importance of microproteins in regulating mitochondrial function and cardiomyocyte biology.
Reichenbach meets underspecification
Authors: Seiler Guido , Weber Thilo
Published: January 2022

This paper investigates the long-term diachronic development of the perfect and preterite tenses in German and provides a novel analysis by supplementingReichenbach’s (1947)classical theory of tense by the notion of underspecification. Based on a newly compiled parallel corpus spanning the entire documented history of German, we show that the development in question is cyclic: It starts out with only one tense form (preterite) compatible with both current relevance and narrative past readings in (early) Old High German and, via three intermediate stages, arrives at only one tense form again (perfect) compatible with the same readings in modern Upper German dialects. We propose that in order to capture all attested stages we must allow tenses to be unspecified for R (reference time), with R merely being inferred pragmatically. We then propose that the transitions between the different stages can be explained by the interplay between semantics and pragmatics.
Fighting talk
Authors: Currie John S. G. , Clarke Ben
Published: January 2022

Analyses on news media data in Conceptual Metaphor Theory have highlighted several frequent metaphors used to
understand climate change including climate change is conflict. This article analyses the frequency of that conceptual
metaphor in a corpus of UK parliamentary debates on climate change. The language of political decision-makers is important to
scrutinise because this group have the social and legislative power needed to deal with the issue. Our analysis shows the
conceptual metaphor itself, and all three of its most frequent linguistic realisations (‘challenge,’ ‘impact,’ ‘tackle’),
increased in use between 2015 and 2019. Additionally, three notable semantic and pragmatic trends were observed: first, apparently
little recognition of human behaviour as a cause of climate change; second, a narrative of Us/People vs Climate Change; and third,
that political decision-makers are taking climate change increasingly seriously. Some of these findings challenge existing
knowledge and thus beg questions that require future research efforts.
The development of morpho-syntactic productivity in Italian-speaking children
Authors: Miorelli Luca , Dąbrowska Ewa
Published: January 2022

According to usage-based models of language acquisition, young children’s grammatical knowledge is best described in terms of lexically specific templates rather than abstract constructions. In this study, we tested the usage-based account by examining the acquisition of Italian, a language with relatively free word order and rich inflectional morphology. We exposed two groups of Italian-speaking children (aged 3;01 and 4;05) and adult controls to a nonce verb and to a familiar verb in an imperative construction. We then prompted production of those verbs in a different morphological form (past tense) and a different syntactic construction (transitive). While both child groups showed adult-like productivity with morphology, there were significant group differences in syntactic productivity.
Latent Profile Analysis in Recovery Homes: A Single Quantitative Dimension Captures Most but Not All of the Important Details of the Recovery Process
Authors: Jason Leonard A. , Stoolmiller Mike , Light John
Published: January 2022

Background:Our study explored whether latent classes adequately represented the social capital recovery indicators at the resident level and whether latent class membership predicted subsequent exits from the recovery homes. Method: Our sample included about 600 residents in 42 recovery homes. Over a 2-year period of time, every 4 months, data were collected on eight elements of recovery capital. Results: We found 5 latent classes were optimal for representing 8 elements of recovery capital. Representing 79% of the sample, 3 of the 5 latent class profiles of the means of the 8 recovery indicators were roughly parallel and differed only in level, but the remaining 2 latent class profiles, representing 21% of the sample, were not parallel to the first 3, suggesting that a single quantitative dimension of perceived recovery may capture most but not all of the important details of the recovery process. Next, using longitudinal data from homes, the distal outcomes of resident eviction and voluntary exit were found to be related to latent class membership. Resident level pre-existing predictors (e.g., employment status, educational attainment, gender, Latinx ethnicity) and house level pre-existing predictors (e.g., financial health, poverty level of typical population served, new resident acceptance rate) significantly discriminated the classes. In a model that combined both pre-existing predictors and distal outcomes, latent class membership was still the strongest predictor of evictions controlling for the pre-existing predictors. Conclusions: These classes help to clarify the different aspects of the recovery latent score, and point to classes that have different ethnic and gender characteristics as well as outcomes in the recovery homes. For example, the high levels of self-confidence found in class 3 suggest that Latinx might be at higher risk for having some difficulties within these recovery communities.
Provider Perceptions of Medication for Opioid Used Disorder (MOUD): A Qualitative Study in Communities with High Opioid Overdose Death Rates
Authors: Paul Nicole , Kennedy Amy J. , Taubenberger Simone , Chang Judy C. , Hacker Karen
Published: January 2022

Background

Medication for Opioid Use Disorder (MOUD) has been shown to be a safe, cost-effective intervention that successfully lowers risk of opioid overdose. However, access to and use of MOUD has been limited. Our objective was to explore attitudes, opinions, and beliefs regarding MOUD among healthcare and social service providers in a community highly impacted by the opioid overdose epidemic.

Methods

As part of a larger ethnographic study examining neighborhoods in Allegheny County, PA, with the highest opioid overdose death rates, semi-structured qualitative in-person and telephone interviews were conducted with forty-five providers treating persons with opioid use disorders in these communities. An open coding approach was used to code interview transcripts followed by thematic analysis.

Results

Three major themes were identified related to MOUD from the perspectives of our provider participants. Within a variety of health and substance use service roles and settings, provider reflections revealed: (1) different opinions about MOUD as a transition to abstinence or as a long-term treatment; (2) perceived lack of uniformity and dissemination of accurate information of MOUD care, permitting differences in care, and (3) observed barriers to entry and navigation of MOUD, including referrals as a “word-of-mouth insider system” and challenges of getting patients MOUD services when they need it.

Conclusions

Even in communities hard hit by the opioid overdose epidemic, healthcare providers’ disagreement about the standard of care for MOUD can be a relevant obstacle. These insights can inform efforts to improve MOUD treatment and access for people with opioid use disorders.
Action observation and motor learning: The role of action observation in learning judo techniques
Authors: Francisco Victor , Decatoire Arnaud , Bidet‐Ildei Christel
Published: January 2022

Within the theoretical framework of embodied cognition, several experiments have shown the existence of links between action observation and motor learning. Our aim was to assess the effectiveness of an observational learning protocol (action observation training: AOT) of point‐light‐display (PLD) in judoka. Twenty participants were given 7 days to learn Go‐No‐Sen. During this time period, all of the participants received conventional kata training consisting of Uchi‐komi and Nage‐komi (repetition of techniques) on tatami. In addition to this conventional learning, the experimental group watched 5 min of PLD video representing the different kata techniques, whereas the control group watched neutral videos during the same time period. After the learning period, both the qualitative and biomechanical performances on the kata and the transfer abilities were assessed. The results showed better biomechanical performance and transfer ability in the experimental group than in the control group. Therefore, this first experiment suggests that observational learning of PLD may be beneficial for the acquisition of judo techniques. Future experiments will be needed to specify the mechanisms that are involved in this effect.