bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantum nature of molecular vibrational quenching: Water–molecular hydrogen collisions
Authors: Wiesenfeld Laurent 
Published: August 2021

Rates of conversions of molecular internal energy to and from kinetic energy by means of molecular collision allow us to compute collisional line shapes and transport properties of gases. Knowledge of ro-vibrational quenching rates is necessary to connect spectral observations to physical properties of warm astrophysical gasses, including exo-atmospheres. For a system of paramount importance in this context, the vibrational bending mode quenching of H2O by H2, we show here that the exchange of vibrational to rotational and kinetic energy remains a quantum process, despite the large numbers of quantum levels involved and the large vibrational energy transfer. The excitation of the quantized rotor of the projectile is by far the most effective ro-vibrational quenching path of water. To do so, we use a fully quantum first-principles computation, potential and dynamics, converging it at all stages, in a full coupled channel formalism. We present here rates for the quenching of the first bending mode of ortho-H2O by ortho-H2, up to 500 K, in a fully converged coupled channel formalism.
Pro-inflammatory T helper 17 directly harms oligodendrocytes in neuroinflammation
Authors: Larochelle Catherine , Wasser Beatrice , Jamann Hélène , Löffel Julian T. , Cui Qiao-Ling , Tastet Olivier , Schillner Miriam , Luchtman Dirk , Birkenstock Jérôme , Stroh Albrecht , Antel Jack , Bittner Stefan , Zipp Frauke 
Published: August 2021

SignificanceMultiple sclerosis (MS) is a neuroinflammatory, demyelinating disease that represents one of the most frequent causes of irreversible disability in young adults. Treatment options to halt disability are limited. We discovered that T helper (Th)17 cells in contact with oligodendrocytes produce higher levels of glutamate and induce significantly greater oligodendrocyte damage than their Th2 counterpart. Blockade of CD29, which is linked to glutamate release pathways and expressed in high levels on Th17 cells, preserved human oligodendrocyte processes from Th17-mediated injury. Our data thus provide evidence for the direct and deleterious attack of Th17 cells on the myelin compartment and show the potential for therapeutic opportunities to protect oligodendrocytes’ myelinating processes in MS.
Assisted assembly of bacteriophage T7 core components for genome translocation across the bacterial envelope
Authors: Pérez-Ruiz Mar , Pulido-Cid Mar , Luque-Ortega Juan Román , Valpuesta José María , Cuervo Ana , Carrascosa José L. 
Published: August 2021

SignificanceBacteriophage T7 infectsEscherichia colibacteria, and its genomic DNA traverses the bacterial cell envelope, but the precise mechanism used by the virus remains unknown. Previous studies suggested that proteins found inside the viral capsid (core proteins) disassemble and reassemble in the bacterial periplasm to form a DNA translocation channel. In this article, we have solved the structure of two different assemblies of the core proteins gp15 and gp16. These findings confirm the ability of core proteins to form tubes compatible with the periplasmic space and show the location of the transglycosylase enzyme involved in peptidoglycan degradation. Our results reveal key structural details of the assembly of the core translocation complex involved in the DNA transport through the bacterial wall.
Structural insights into a novel family of integral membrane siderophore reductases
Authors: Josts Inokentijs , Veith Katharina , Normant Vincent , Schalk Isabelle J. , Tidow Henning 
Published: August 2021

SignificanceSecretion of siderophores allows most microbes to assimilate ferric ions into their biological processes. Siderophores must be taken up into the cells, and chelated iron must be released. Here, we present the structure of an inner membrane siderophore reductase, FoxB, which is involved in the uptake of iron from ferrioxamine siderophores inPseudomonas aeruginosa. Our structure reveals FoxB to be a di-heme membrane protein, which is able to reduce the iron in chelated ferric-siderophore complexes. In combination with in vivo uptake studies, these results offer insights into the function of this poorly characterized membrane protein family and its role in iron release from bacterial siderophores.
Metapopulation capacity determines food chain length in fragmented landscapes
Authors: Wang Shaopeng , Brose Ulrich , van Nouhuys Saskya , Holt Robert D. , Loreau Michel 
Published: August 2021

SignificanceUnderstanding the persistence of populations in fragmented landscapes is critical for predicting the consequences of habitat destruction, yet analytical tools are largely lacking. Metapopulation capacity provides one such tool, because it summarizes the influences of habitat area and distribution on population persistence in a single metric. However, surprisingly few efforts have extended this theory to multispecies communities. Our analyses demonstrate the power of metapopulation capacity theory in predicting the persistence of prey–predator pairs and food chains in heterogeneous, fragmented landscapes. Such analytic insights serve as a benchmark to predict the consequences of habitat changes. Our findings thus have broad implications for both ecological research and conservation practices.
Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry
Authors: Khare Baldeep , Klose Thomas , Fang Qianglin , Rossmann Michael G. , Kuhn Richard J. 
Published: August 2021

Significance
Usutu virus (USUV) was first identified in Africa in 1959; however, multiple, independent introductions via migratory birds and vector proliferation facilitated by climate change expanded the ecological niche of USUV across Europe. In humans, some African USUV lineages typically cause mild disease; however, the European strains, marked by their generally asymptomatic existence, possess the ability to cause meningoencephalitis and other neurological complications in some individuals. Treatment options for such infections are lacking. Our work provides the structural understanding into USUV biology and provides insight into pathogenesis for the development of therapies. The high-resolution structures highlight unique USUV characteristics as well as provide distinct details for the field of flavivirus biology, each with functional implications in the viral life cycle.
Ofrevistasandmagacínes
Authors: Johns Michael A. , Dussias Paola E. 
Published: August 2021

AbstractThe transfer of words from one language to another is ubiquitous in many of the world’s languages. While loanwords have a rich literature in the fields of historical linguistics, language contact, and sociolinguistics, little work has been done examining how loanwords are processed by bilinguals with knowledge of both the source and recipient languages. The present study uses pupillometry to compare the online processing of established loanwords in Puerto Rican Spanish to native Spanish words by highly proficient Puerto Rican Spanish-English bilinguals. Established loanwords elicited a significantly larger pupillary response than native Spanish words, with the pupillary response modulated by both the frequency of the loanword itself and of the native Spanish counterpart. These findings suggest that established loanwords are processed differently than native Spanish words and compete with their native equivalents, potentially due to both intra- and inter-lingual effects of saliency.
Effective estimates of Lyapunov exponents for random products of positive matrices
Authors: Pollicott M 
Published: August 2021

Abstract
In this note we describe estimates on the error when calculating the Lyaponov exponent for random products of positive matrices using dynamical determinants. This extends the results in (Jurga N and Morris I 2019 Nonlinearity
32 4117–46; Pollicott M 2010 Invent. Math.
181 209–26) by drawing upon a new approach introduced in (Jenkinson O and Pollicott M 2018 Adv. Math.
325 87–115; Jenkinson O, Pollicott M and Vytnova P 2018 J. Stat. Phys.
170 221–53).
Large deviations at various levels for run-and-tumble processes with space-dependent velocities and space-dependent switching rates
Authors: Monthus Cécile 
Published: August 2021

Abstract
One-dimensional run-and-tumble processes may converge towards some localized non-equilibrium steady states when the two velocities and/or the two switching rates are space-dependent. A long dynamical trajectory can be then analyzed via the large deviations at level 2.5 for the joint probability of the empirical densities, of the empirical spatial currents and of the empirical switching flows. Level 2 for the empirical densities alone can be then derived via the optimization of level 2.5 over the empirical flows. More generally, the large deviations of any time-additive observable can be also obtained via contraction from level 2.5, or equivalently via the deformed generator method and the corresponding Doob conditioned process. Finally, the large deviations for the empirical intervals between consecutive switching events can be obtained via the introduction of the alternate Markov chain that governs the series of all of the switching events of a long trajectory.
Design and construction of Xenoscope — a full-scale vertical demonstrator for the DARWIN observatory
Authors: Baudis L. , Biondi Y. , Galloway M. , Girard F. , Manfredini A. , McFadden N. , Peres R. , Sanchez-Lucas P. , Thieme K. 
Published: August 2021

Abstract
The DARWIN observatory is a proposed next-generation experiment to search for particle dark matter and other rare interactions. It will operate a 50 t liquid xenon detector, with 40 t in the time projection chamber (TPC). To inform the final detector design and technical choices, a series of technological questions must first be addressed. Here we describe a full-scale demonstrator in the vertical dimension, Xenoscope, with the main goal of achieving electron drift over a 2.6 m distance, which is the scale of the DARWIN TPC. We have designed and constructed the facility infrastructure, including the cryostat, cryogenic and purification systems, the xenon storage and recuperation system, as well as the slow control system. We have also designed a xenon purity monitor and the TPC, with the fabrication of the former nearly complete. In a first commissioning run of the facility without an inner detector, we demonstrated the nominal operational reach of Xenoscope and benchmarked the components of the cryogenic and slow control systems, demonstrating reliable and continuous operation of all subsystems over 40 days. The infrastructure is thus ready for the integration of the purity monitor, followed by the TPC. Further applications of the facility include R&D on the high voltage feedthrough for DARWIN, measurements of electron cloud diffusion, as well as measurements of optical properties of liquid xenon. In the future, Xenoscope will be available as a test platform for the DARWIN collaboration to characterise new detector technologies.
Future climate change significantly alters interannual wheat yield variability over half of harvested areas
Authors: Liu Weihang , Ye Tao , Jägermeyr Jonas , Müller Christoph , Chen Shuo , Liu Xiaoyan , Shi Peijun 
Published: August 2021

Abstract
Climate change affects the spatial and temporal distribution of crop yields, which can critically impair food security across scales. A number of previous studies have assessed the impact of climate change on mean crop yield and future food availability, but much less is known about potential future changes in interannual yield variability. Here, we evaluate future changes in relative interannual global wheat yield variability (the coefficient of variation (CV)) at 0.25° spatial resolution for two representative concentration pathways (RCP4.5 and RCP8.5). A multi-model ensemble of crop model emulators based on global process-based models is used to evaluate responses to changes in temperature, precipitation, and CO2. The results indicate that over 60% of harvested areas could experience significant changes in interannual yield variability under a high-emission scenario by the end of the 21st century (2066–2095). About 31% and 44% of harvested areas are projected to undergo significant reductions of relative yield variability under RCP4.5 and RCP8.5, respectively. In turn, wheat yield is projected to become more unstable across 23% (RCP4.5) and 18% (RCP8.5) of global harvested areas—mostly in hot or low fertilizer input regions, including some of the major breadbasket countries. The major driver of increasing yield CV change is the increase in yield standard deviation, whereas declining yield CV is mostly caused by stronger increases in mean yield than in the standard deviation. Changes in temperature are the dominant cause of change in wheat yield CVs, having a greater influence than changes in precipitation in 53% and 72% of global harvested areas by the end of the century under RCP4.5 and RCP8.5, respectively. This research highlights the potential challenges posed by increased yield variability and the need for tailored regional adaptation strategies.
Vortex surface plasmon polaritons on a cylindrical waveguide: generation, propagation, and diffraction
Authors: Gerasimov V V , Kameshkov O E , Knyazev B A , Osintseva N D , Pavelyev V S 
Published: August 2021

Abstract
In this paper, we experimentally demonstrated excitation of terahertz vortex surface plasmon polaritons by end-fire coupling of radially-polarized annular beams with orbital angular momentum (the wavelength was 141 µm, and the topological charges were ±3 and ±9) to a 70 mm long, simply connected axis-symmetric transmission line and their propagation to the end of the line and diffraction into a free wave possessing the same topological charge as the input beam. The diameter of the line exceeded greatly the radiation wavelength, and, in contrast to experiments with nanowires, no azimuthal electromagnetic modes existed. We observed that 18 plasmons, locally excited on the input face perimeter by a wave with topological charge of ±9, traveled rotating over the tapering cylindrical line and transformed into 18 lobes of the decoupled free wave. The evidence of the possibility of the transformation of a vortex beam into vortex plasmons and back into vortex beam with the conservation of the topological charge opens a way for the development of plasmonic communication lines with coding and decoding of information at the free-wave stage. Application of this technique to complex beams consisting of a combination of different vortex modes can be a technological base for the development of multiplex plasmonic communication lines in the terahertz range. Since wave characteristics are easier to record than plasmon characteristics, sorting of free waves by the topological charges can be used for demultiplexing combined plasmons in multiplex systems.
Single and dual-gate organic field-effect transistors based on diketopyrrolopyrrole-diethienothiophene polymers: performance modulation via dielectric interfaces
Authors: Patil Basanagouda B , Takeda Yasunori , Singh Subhash , Singh Amandeep , Do Thu Trang , Ostrikov Kostya (Ken) , Singh Samarendra P , Tokito Shizuo , Pandey Ajay K , Sonar Prashant 
Published: August 2021

Abstract
Low-power, flexible, and properly encapsulated integrated circuits are the basic requirements of the solution-processed printed and wearable electronic prototypes for various emerging applications including display circuits, sensors, and radio-frequency identification tags. The organic field-effect transistor is one of the important types of devices used in such prototypes and its industrial applicability is essential for the printed electronics technology. The performance deterioration upon encapsulated through the thick layer of air-stable dielectric material such as amorphous fluoropolymer [CYTOP] - must be compensated by device engineering. In this work, we used furan and thiophene flanked diketopyrrolopyrrole donor-acceptor conjugated polymers namely PDPPF-DTT and PDPPT-DTT, and its comparative study was performed using Cytop as a dielectric material. The work advances interface engineering towards the single-gate and dual-gate organic transistors. Dual-gate transistors performance modulation using Cytop dielectric opens new research avenues towards stability enhancement of such transistors for real-world applications.
A fast first-principles approach to model atomic force microscopy on soft, adhesive, and viscoelastic surfaces
Authors: Rajabifar Bahram , Wagner Ryan , Raman Arvind 
Published: August 2021

Abstract
Quantitative atomic force microscopy (AFM) on soft polymers remains challenging due to the lack of easy-to-use computational models that accurately capture the physics of the interaction between the tip and sticky, viscoelastic samples. In this work, we enhance Attard’s continuum mechanics-based model, arguably the most rigorous contact model for adhesive viscoelastic samples, via three key enabling strategies. First, the original model’s formalism is rearranged to enable a fast and explicit solution of the model’s ordinary differential equations (ODEs). Second, the deformed surface is reconstructed using a complete set of optimized orthogonal basis functions as opposed to Attard’s original, computationally expensive radial discretization. Third, the model’s governing ODEs are solved using a multi-step numerical method to further stabilize the solution when using for soft and sticky samples. Implementing these enhancements, enhanced Attard’s model (EAM) is more stable, 3+ orders of magnitude faster, and equally accurate when compared to the original model. These facilitate EAM’s inclusion into simulations of various AFM operating modes. We demonstrate EAM based simulations of quasi-static force spectroscopy and amplitude modulation AFM approach curves on soft sticky polymer surfaces. On a typical desktop computer, simulation of an amplitude modulation approach curve with EAM takes less than a minute as compared to ≈15 h by the original Attard’s model. We expect EAM to be of interest to the AFM community because it facilitates the inclusion of rigorous models of tip-sample contact in simulations on polymer samples. EAM is available as part of the VEDA set of simulation tools deployed on nanoHUB.org cyber-infrastructure.
3D architectured air sensing tubes for a portable mechanical ventilator
Authors: Kim Tae-Ho , Min Xin , Baker Daina , Lee Wonchul , Kim Woo Soo 
Published: August 2021

Abstract
Today, respiratory ventilators are in high demand at the peak of the COVID-19 outbreak. However, there are concerns regarding insufficient supply of ventilators to handle the impending surge due to the high cost, and slow production and deliveries. Thus, the development of a low-cost portable ventilator becomes essential. The mechanical ventilator requires two main components including an active airbag and its venting control system. We developed a reliable active airbag designed with mechanically tunable 3D origami structures. The 3D origami structure based active airbag demonstrates reliable and reconfigurable characteristics. The active airbag’s volume can be tuned by controlling the triangular angles in the 3D origami-folding plates. Moreover, its volumetric ratio before and after compression is around 85%. Also, the rotating behavior of 3D origami tube under the compressive force allows more functionalities in the airbag such as the architectured pressure sensing. The 3D printed origami sensor measures the compressed angle to confirm the accuracy of detected pressure in the ventilator circuit. We achieved accurate delivery of targeted air volume with specific airflow rate by 3D printed reconfigurable origami tubes.
Design methodology for the development of variable stiffness devices based on layer jamming transition
Authors: Arleo Luca , Bondì Giorgio , Albini Stefano , Maselli Martina , Cianchetti Matteo 
Published: August 2021

Abstract
Variable stiffness mechanisms as Jamming Transition draw huge attention recently in Soft Robotics. This paper proposes a comprehensive design methodology for developing variable stiffness devices based on layer jamming. Starting from pre-existing modelling, we highlight the design parameters that should be considered, extracting them from literature and our direct experience with the phenomenon. Then we validated the methodology applying the design process to previous layer jamming cases presented in literature. The comparison between the results obtained from our methodology and those presented in the analyzed previous works highlights a good predictive capability, demonstrating that this methodology can be used as a valid tool to design variable stiffness devices based on layer jamming transition. Finally, in order to provide the scientific community with an easily usable tool to design variable stiffness structures based on layer jamming transition, we have elaborated a Matlab script that guides the user through the main design parameters implementing the proposed methodology in an interactive process.
Mediational Effects on Motivation to Quit Smoking After Exposure to a Cigarette Pictorial Warning Label Among Young Adults
Authors: Johnson Andrea C , Turner Monique M , Simmens Samuel J , Evans W Douglas , Strasser Andrew A , Mays Darren 
Published: August 2021

Abstract

Background
Young adults are vulnerable to cigarette package marketing. Pictorial warning labels are recommended for tobacco control. Research should address questions raised in legal challenges including causal mechanisms. Evidence is mixed and understudied among young adults (e.g., discrete emotions and risk perceptions).

Purpose
This study investigated mediators of pictorial warning label effects on motivation to quit smoking among young adult smokers.

Methods
This study analyzed data from a randomized trial with a 4 week exposure to a cigarette pictorial warning among young adult smokers (N = 229) aged 18–30 with assessments at baseline, immediately post-intervention, and 3 months. Mediation analyses used latent change scores to test the effects post-intervention on fear, anger, and risk perceptions. We also examined whether post-intervention measures predicted change in motivation to quit smoking at 3 months. The first model assessed aggregate risk perceptions and the second model assessed discrete risk perceptions (deliberative, affective).

Results
Pictorial warning label exposure led to increases in fear which led to increased motivation to quit smoking for the first (B = 0.12, 95% CI = 0.04, 0.26) and second (B = 0.12, 95% CI = 0.03, 0.25) model. Exposure modestly increased motivation to quit by way of fear and affective risk perceptions (B = 0.01, 95% CI = 0.00, 0.04). Exposure had a direct relationship on increased motivation to quit as well.

Conclusions
Findings demonstrate factors contributing to change in motivation to quit smoking among young adult smokers after pictorial warning label exposure. Affective processes are mediators of pictorial warning label effects.
Composition and plethological innocence
Authors: Payton Jonathan D 
Published: August 2021

AbstractAccording to Composition as Identity (CAI), a whole is distinct from each of its parts individually, but identical to all of them taken together. It is sometimes claimed that, if you accept CAI, then your belief in a whole is ‘ontologically innocent’ with respect to your belief in its parts. This claim is false. But the defender of CAI can claim a different advantage for her view. Following Agustín Rayo, I distinguish ontology (which concerns what there is) from plethology (which concerns what there are). I then show that CAI allows us to introduce an interesting notion of ‘plethological innocence’ which would otherwise collapse into the notion of ‘ontological innocence’, and that CAI renders belief in composite objects plethologically (but not ontologically) innocent.