bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electronic structure and thermoelectric properties of biaxial strained SnSe from first principles calculations
Authors: Zhou Kai , Wei Wei 
Published: April 2022

Abstract
Biaxial strain effects on the electronic structure and thermoelectric properties of the Pnma phase SnSe are investigated by first-principles calculations and Boltzmann transport theory. The biaxial strains ε
ab, ε
ac and ε
bc were applied on the ab, ac and bc planes from −6% to 6%, respectively. The band gap decreases under the compressive strains, and increases under the tensile strains except for ε
ab = 6%. The ε
bc can tune the band gap in a large range from 0 eV to 0.88 eV. A semiconductor to metal transition is observed at ε
bc < = −4%. The biaxial strains also influence the electronic band structure of SnSe with Pnma phase. The momentum alignment and energy convergence of the electronic bands induced by the biaxial strains are observed. At ε
ac = −6%, the Pnma SnSe transits from an indirect bandgap to a direct bandgap material. The calculated Seebeck coefficient values for unstrained SnSe are in good agreement with the experimental results. The calculated results indicate that the biaxial strains ε
ab, ε
ac and ε
bc can improve the Seebeck coefficient S, electrical conductivity σ/τ and power factor PF/τ of the Pnma SnSe. However the biaxial strains have different effects on the three components of these thermoelectric properties along the a, b and c axes. For unstrained SnSe, the PFa/τ of p-type SnSe is the smallest one while the PFa/τ of n-type SnSe is the largest one among the three components of PF/τ at 300 K and 750 K. The PF/τ of n- and p-type SnSe can be significantly enhanced compared with those of the unstrained one for 300 K and 750 K, respectively. These findings indicate that the thermoelectric performance of SnSe used at room temperature and high temperature can be improved by the suitable biaxial strains.
Variational quantum support vector machine based on Hadamard test
Authors: Xu Li , Zhang Xiao-Yu , Liang Jin-Min , Wang Jing , Li Ming , Jian Ling , Shen Shu-qian 
Published: April 2022

Abstract
Classical machine learning algorithms seem to be totally incapable of processing tremendous amounts of data, while quantum machine learning algorithms could deal with big data with ease and provide exponential acceleration over classical counterparts. Meanwhile, variational quantum algorithms are widely proposed to solve relevant computational problems on noisy, intermediate-scale quantum devices. In this paper, we apply variational quantum algorithms to quantum support vector machines and demonstrate a proof-of-principle numerical experiment of this algorithm. In addition, in the classification stage, fewer qubits, shorter circuit depth, and simpler measurement requirements show its superiority over the former algorithms.
Formation and termination of runaway beams during vertical displacement events in tokamak disruptions
Authors: Martín-Solís J.R. , Mier J.A. , Lehnen M. , Loarte A. 
Published: April 2022

Abstract
A simple 0D model which mimics the plasma surrounded by the conducting structures (Kiramov and Breizman 2017 Phys. Plasmas
24 100702) and including self-consistently the vertical plasma motion and the generation of runaway electrons during the disruption is used for an assessment of the effect of vertical displacement events on the runaway current formation and termination. The total plasma current and runaway current at the time the plasma hits the wall is estimated and the effect of injecting impurities into the plasma is evaluated. In the case of ITER, with a highly conducting wall, although the total plasma current when the plasma touches the wall is the same for any number of injected impurities, however the fraction of the plasma current carried by runaway electrons can significantly decrease for large enough amounts of impurities. The plasma velocity is larger and the time when the plasma hits the wall shorter for lower runaway currents, which are obtained when larger amounts of impurities are injected. When the plasma reaches the wall, the scraping-off of the runaway beam occurs and the current is terminated. During this phase, the plasma vertical displacement velocity and electric field can substantially increase leading to the deposition of a noticeable amount of energy on the runaway electrons (∼hundreds of MJ). It is found that an early second impurity injection reduces somewhat the amount of energy deposited by the runaways. Also larger temperatures of the companion plasma during the scraping-off might be efficient in reducing the power fluxes due to the runaways onto the PFCs. The plasma reaches the q

a
= 2 limit before the runaway electron current is terminated and by that time the amount of energy deposited on the runaway electrons can be substantially lower than that expected until the beam is fully terminated. Negligible additional conversion of magnetic into runaway kinetic energy is predicted during the runaway deconfinement following the large magnetic fluctuations after q

a
= 2 is crossed for characteristic deconfinement times lower than 0.1 ms which is a characteristic timescale for ideal MHD instabilities to develop.
Dependence of the boundary heat flux width on core and edge profiles in Alcator C-Mod
Authors: Ballinger S.B. , Brunner D. , Hubbard A.E. , Hughes J.W. , Kuang A.Q. , LaBombard B. , Terry J.L. , White A.E. 
Published: April 2022

Abstract
This work presents new evidence that the heat flux width, λ

q
, in the Alcator C-Mod tokamak scales with the edge electron pressure, as observed in the ASDEX Upgrade (AUG) tokamak (Silvagni et al 2020 Plasma Phys. Control. Fusion
62 045015), but the scaling with volume-averaged pressure,

p

¯

, from the plasma stored energy, found by Brunner et al (2018 Nucl. Fusion
58 094002), is a better predictor of λ

q
in Alcator C-Mod than the edge electron pressure. These previous studies, which find that λ

q
decreases with increasing plasma pressure, imply that a high performance core at high pressure will lead to challenging heat and particle exhaust due to very small λ

q
. This concern has led to our significant enlargement of the C-Mod database with the electron density, temperature, and pressure profile data from the Thomson scattering and electron cyclotron emission diagnostics. Using the C-Mod database augmented with new profile data, we find that λ

q
decreases with increasing edge electron pressure as

λ

q

∝

p

e
,
95

−
0.26

, similar to results from AUG, and showing the strength of cross-machine comparisons. We also find that

λ

q

∝

p

e
,
c
o
r
e

−
0.56

, consistent with the original finding from C-Mod that the heat flux width scales as

p

¯

−
0.48

(Brunner et al 2018 Nucl. Fusion
58 094002). The scalings of λ

q
with separatrix pressure and gradient scale length are found to match the AUG results qualitatively. The C-Mod scalings with edge plasma quantities have more scatter than the

p

¯

scaling, and, importantly, show different trends for H-modes relative to L- and I-mode. Investigating the source of this discrepancy presents an opportunity for further study that may improve our ability to predict the heat flux width in different confinement scenarios in the pursuit of optimizing core-edge performance in future reactors.
Changes of breath volatile organic compounds in healthy volunteers following segmental and inhalation endotoxin challenge
Authors: Holz Olaf , van Vorstenbosch Robert , Guenther Frank , Schuchardt Sven , Trinkmann Frederik , van Schooten Frederik-Jan , Smolinska Agnieszka , Hohlfeld Jens M 
Published: April 2022

Abstract
It is still unclear how airway inflammation affects the breath volatile organic compounds (VOCs) profile in exhaled air. We therefore analyzed breath following well-defined pulmonary endotoxin (lipopolysaccharide, LPS) challenges. Breath was collected from ten healthy non-smoking subjects at eight time points before and after segmental and whole lung LPS inhalation challenge. Four Tenax-TA® adsorption tubes were simultaneously loaded from an aluminum reservoir cylinder and independently analyzed by two research groups using gas chromatography—mass spectrometry. Airway inflammation was assessed in bronchoalveolar lavage (BAL) and in sputum after segmental and inhaled LPS challenge, respectively. Segmental LPS challenge significantly increased the median (interquartile range, IQR) percentage of neutrophils in BAL from 3.0 (4.2) % to 64.0 (7.3) %. The inhalation challenge increased sputum neutrophils from 33.9 (26.8) % to 78.3 (13.5) %. We observed increases in breath aldehydes at both time points after segmental and inhaled LPS challenge. These results were confirmed by an independent laboratory. The longitudinal breath analysis also revealed distinct VOC patterns related to environmental exposures, clinical procedures, and to metabolic changes after food intake. Changes in breath aldehydes suggest a relationship to LPS induced inflammation compatible with lipid peroxidation processes within the lung. Findings from our longitudinal data highlight the need for future studies to better consider the potential impact of the multiple VOCs from detergents, hygiene or lifestyle products a subject is continuously exposed to. We suspect that this very individual ‘owncloud’ exposure is contributing to an increased variability of breath aldehydes, which might limit a use as inflammatory markers in daily clinical practice.
Studies on passively Q-switched ytterbium doped all-fiber laser using fiber optic ring resonator
Authors: Gupta Pradeep K , Singh C P , Mukhopadhyay P K , Bindra K S 
Published: April 2022

Abstract
We report our studies on ytterbium doped fiber laser passively Q-switched by fiber optic ring resonator in all-fiber format. The Q-switched laser characteristics viz. pulse duration, pulse profile, repetition rate and average power are easily varied not only by pump power but also by changing the polarization state of light inside the laser resonator with the help of polarization controllers. At 330 mW pump power, the laser generates 1.07 μs duration pulses with 0.68 μJ pulse energy at 83.6 kHz repetition rate. The Q-switched laser wavelength is tunable from 1059 to 1069.7 nm by changing the polarization state inside the cavity.
Analyzing imprecise graphene foam resistance data
Authors: Afzal Usama , Aslam Muhammad , AL-Marshadi Ali Hussein 
Published: April 2022

Abstract
3D graphene foam is the main aim of this research work. Graphene foam is synthesized on the Ni-foam by the CVD technique. The graphene foam has been characterized by XRD, FESEM, Raman spectroscopy and BET techniques. The resistance of graphene foam with a variance of temperature has been measured through an LCR meter and has been analyzed with classical and neutrosophic analysis. As a result, it is seen that graphene foam is expressing both conductor and semiconductor electric properties and also it is observed that neutrosophic analysis is more flexible to analyze the resistance of graphene foam.
Temporal characteristics and influencing factors of agricultural carbon emission in Jiangxi province of China
Authors: Xiaobing Huang , Shiqi Gao 
Published: April 2022

Abstract
As a large agricultural country, China should pay more attention to the carbon emission in agriculture in the context of achieving the goal of ‘peak carbon and carbon neutrality’. This paper measures the agricultural carbon emissions and analyzes its temporal characteristics in Jiangxi from 2000 to 2019, examines the influencing factors using Kaya’s constant equation. The study shows that: (1) from 2000 to 2019, Jiangxi’s agricultural carbon emissions show a general upward trend, but the growth rate tends to slow down gradually; (2) the factors of agricultural production efficiency, agricultural industrial structure and agricultural labor force have a negative driving effect on carbon emissions, while the factors of agricultural economic development and urbanization level have a positive driving effect on agricultural carbon emissions.
Computational prediction of thermoelectric properties of 2D materials
Authors: Kaur Kulwinder , Khandy Shakeel Ahmad , Dhiman Shobhna , Sharopov Utkir Bahodirovich , Singh Jaspal 
Published: April 2022

Abstract
In low dimensional materials, the conversion of thermal to electrical energy via thermoelectric devices gained much more attention when a ZT > 5 was reported in metastable Fe2V0.8W0.2Al thin film (2019 Nature
576 85). In this brief review, we tried to describe the underlying physics of nanostructured thermoelectric materials accompanied by the introduction to enhance the efficiency of energy conversion from one form to another. From this determination, we select the two dimensional (AB type) materials such as ScX (X = P, As), SiX (X = S, Se, N, P, As, Sb, Bi), GeX (X = S, Se, Te), SnX (X = S, Se, Te) and BX (X = S, Se, Te) etc. Different theoretical methods have also been mentioned to study the intrinsic thermoelectric properties which might help in searching experimentally the new and promising thermoelectric materials. We explore the thermoelectric parameters such as Seebeck coefficient, electrical conductivity and thermal conductivity by using density functional theory, Boltzmann transport theory with constant relaxation time approximation and non-equilibrium Green’s function approach. Reduced dimensions potentially expand the thermoelectric efficiency by enhancing the Seebeck coefficient and decrease the thermal conductivity. Theoretical calculations thus recommend the stimulation of the two-dimensional (2D) materials with experimental capabilities in designing and improving the thermoelectric performances.
Clinical Phenotypes and Outcomes in Monogenic Versus Non-monogenic Very Early Onset Inflammatory Bowel Disease
Authors: Collen Lauren V , Kim David Y , Field Michael , Okoroafor Ibeawuchi , Saccocia Gwen , Whitcomb Sydney Driscoll , Green Julia , Dong Michelle Dao , Barends Jared , Carey Bridget , Weatherly Madison E ,   Regeneron Genetics centre, Rockowitz Shira , Sliz Piotr , Liu Enju , Eran Alal , Grushkin-Lerner Leslie , Bousvaros Athos , Muise Aleixo M , Klein Christoph , Mitsialis Vanessa , Ouahed Jodie , Snapper Scott B 
Published: April 2022

Abstract

Background and Aims
Over 80 monogenic causes of very early onset inflammatory bowel disease [VEOIBD] have been identified. Prior reports of the natural history of VEOIBD have not considered monogenic disease status. The objective of this study is to describe clinical phenotypes and outcomes in a large single-centre cohort of patients with VEOIBD and universal access to whole exome sequencing [WES].

Methods
Patients receiving IBD care at a single centre were prospectively enrolled in a longitudinal data repository starting in 2012. WES was offered with enrollment. Enrolled patients were filtered by age of diagnosis &lt;6 years to comprise a VEOIBD cohort. Monogenic disease was identified by filtering proband variants for rare, loss-of-function, or missense variants in known VEOIBD genes inherited according to standard Mendelian inheritance patterns.

Results
This analysis included 216 VEOIBD patients, followed for a median of 5.8 years. Seventeen patients [7.9%] had monogenic disease. Patients with monogenic IBD were younger at diagnosis and were more likely to have Crohn’s disease phenotype with higher rates of stricturing and penetrating disease and extraintestinal manifestations. Patients with monogenic disease were also more likely to experience outcomes of intensive care unit [ICU] hospitalisation, gastrostomy tube, total parenteral nutrition use, stunting at 3-year follow-up, haematopoietic stem cell transplant, and death. A total of 41 patients [19.0%] had infantile-onset disease. After controlling for monogenic disease, patients with infantile-onset IBD did not have increased risk for most severity outcomes.

Conclusions
Monogenic disease is an important driver of disease severity in VEOIBD. WES is a valuable tool in prognostication and management of VEOIBD.
GuideMaker: Software to design CRISPR-Cas guide RNA pools in non-model genomes
Authors: Poudel Ravin , Rodriguez Lidimarie Trujillo , Reisch Christopher R , Rivers Adam R 
Published: April 2022

Abstract

Background
CRISPR-Cas systems have expanded the possibilities for gene editing in bacteria and eukaryotes. There are many excellent tools for designing CRISPR-Cas guide RNAs (gRNAs) for model organisms with standard Cas enzymes. GuideMaker is intended as a fast and easy-to-use design tool for challenging projects with (i) non-standard Cas enzymes, (ii) non-model organisms, or (iii) projects that need to design a panel of gRNA for genome-wide screens.

Findings
GuideMaker can rapidly design gRNAs for gene targets across the genome using a degenerate protospacer-adjacent motif (PAM) and a genome. The tool applies hierarchical navigable small world graphs to speed up the comparison of guide RNAs and optionally provides on-target and off-target scoring. This allows the user to design effective gRNAs targeting all genes in a typical bacterial genome in ∼1–2 minutes.

Conclusions
GuideMaker enables the rapid design of genome-wide gRNA for any CRISPR-Cas enzyme in non-model organisms. While GuideMaker is designed with prokaryotic genomes in mind, it can efficiently process eukaryotic genomes as well. GuideMaker is available as command-line software, a stand-alone web application, and a tool in the CyCverse Discovery Environment. All versions are available under a Creative Commons CC0 1.0 Universal Public Domain Dedication.
Prevalence, Pathogenesis and Management of Anemia in Inflammatory Bowel Disease: An IG-IBD Multicenter, Prospective, and Observational Study
Authors: Bergamaschi Gaetano , Castiglione Fabiana , D’Incà Renata , Astegiano Marco , Fries Walter , Milla Monica , Ciacci Carolina , Rizzello Fernando , Saibeni Simone , Ciccocioppo Rachele , Orlando Ambrogio , Bossa Fabrizio , Principi Mariabeatrice , Vernia Piero , Ricci Chiara , Scribano Maria L , Bodini Giorgia , Mazzucco Dario , Bassotti Gabrio , Riegler Gabriele , Buda Andrea , Neri Matteo , Caprioli Flavio , Monica Fabio , Manca Aldo , Villa Erica , Fiorino Gionata , Comberlato Michele , Aronico Nicola , Della Corte Cristina , Caccaro Roberta , Gionchetti Paolo , Giuffrida Paolo , Iovino Paola , Lenti Marco V , Mengoli Caterina , Pellegrini Lucienne , Pieraccini Alberto , Ribaldone Davide , Testa Anna , Ubezio Cristina , Viola Anna , Vecchi Maurizio , Klersy Catherine , Di Sabatino Antonio 
Published: April 2022

Abstract

Background
Anemia is a common extraintestinal manifestation of inflammatory bowel disease (IBD), with a 6% to 74% prevalence and a negative impact on patient survival and quality of life, although the prevalence is apparently declining due to improved disease treatment. We aimed to investigate the prevalence, pathogenesis, and clinical correlates of anemia in Italian patients with IBD.

Methods
A multicenter, prospective, observational study, involving 28 Italian gastroenterology centers, was conducted to investigate the epidemiology and consequences of IBD-associated anemia. Clinical and laboratory data of anemic patients were obtained at study enrolment.

Results
Anemia was diagnosed in 737 of 5416 adult IBD outpatients (prevalence 13.6%); females were more commonly affected than males (odds ratio, 1.5; 95% confidence interval [CI], 1.2–1.7) and had more severe anemia. In the majority of cases, anemia was due to iron deficiency (62.5% of cases; 95% CI, 58.3%–66.6%), either isolated or in association with inflammation and/or vitamin deficiencies; anemia of inflammation accounted for only 8.3% of cases. More severe anemia was associated with increasing fatigue and worse quality of life. Only 68.9% of anemic patients with iron deficiency (95% CI, 63.4%–73.8%) and 34.6% of those with vitamin deficiencies (95% CI, 26.2%–44.2%) were properly treated with supplementation therapy.

Conclusions
In Italy, the prevalence of IBD-associated anemia is lower than previously reported. Anemia of IBD is most commonly due to iron deficiency and contributes to fatigue and poor quality of life, but remains untreated in a large proportion of patients with iron and/or vitamin deficiencies. This study is registered at clinicaltrials.gov as NCT02872376.
Characterizing Balsam Woolly Adelgid Infestations and Associated Tree Mortality in Idaho
Authors: Davis Gina A , Lowrey Laura , Eckberg Tom , Hicke Jeffrey A , Smirnova Ekaterina 
Published: April 2022

AbstractBalsam woolly adelgid, Adelges piceae (BWA), is a nonnative insect that has invaded much of the true fir range in North America, reducing host tree growth and causing mortality. Here, we describe a field study to characterize BWA infestation and effects on host trees in Idaho from the onset of infestation within twenty-eight sites with repeated surveys in 2008, 2013, and 2018. Declining tree health was categorized into five BWA damage classes based on the percent of the tree crown–expressing symptoms caused by BWA. Between 2008 and 2018, BWA presence increased across most sites regardless of host species, with an average of 48% (0.1%–100%) host trees per acre being infested. Severe damage or mortality of true fir from BWA occurred across thirteen sampled forest habitat types, including those representing harsh, high elevations. Although a significantly greater proportion of subalpine fir died than grand fir by 2018, BWA caused grand fir mortality. All diameter size classes became infested with BWA, including seedlings, and BWA caused mortality regardless of tree diameter. This assessment provides baseline data for a deeper analysis of insect, host, stand, and environmental interactions that may elucidate factors driving severe stand mortality.Study ImplicationsBalsam woolly adelgid (BWA) is a cryptic, nonnative, and chronically lethal insect of true firs that is frequently overlooked until tree health substantially declines. Therefore, it is often not considered a serious damage agent during forest management planning until after severe damage has occurred across a stand. The BWA damage classification, modified from Spiegel et al. (2013), may be applied during stand exams. This simple and effective five-tiered classification system can be used to categorize BWA damage within individual trees or stands based on the collective symptoms caused by the insect. Feeding by BWA can ultimately result in stand-level mortality of both over- and understory fir and may require artificial regeneration to restore forest function. Fir regeneration was abundant at most BWA-damaged sites; however, seedling-sized firs were often heavily gouted from BWA to levels that will prevent them from growing into seed-bearing trees. Reported levels of mortality caused by BWA within 10 years of infestation and forest habitat type associations can be referenced for making management decisions for not-yet or recently infested stands.
An accurate strategy for computing reaction forces and fluxes on trimmed locally refined meshes
Authors: D’Angella Davide , Kollmannsberger Stefan , Reali Alessandro , Rank Ernst , Hughes Thomas J R 
Published: April 2022

Abstract
The finite element method is classically based on nodal Lagrange basis functions defined on conforming meshes. In this context, total reaction forces are commonly computed from the so-called “nodal forces”, yielding higher accuracy and convergence rates than reactions obtained from the differentiated primal solution (“direct” method). The finite cell method and isogeometric analysis promise to improve the interoperability of computer-aided design and computer-aided engineering, enabling a direct approach to the numerical simulation of trimmed geometries. However, body-unfitted meshes preclude the use of classic nodal reaction algorithms. This work shows that the direct method can perform particularly poorly for immersed methods. Instead, conservative reactions can be obtained from equilibrium expressions given by the weak problem formulation, yielding superior accuracy and convergence rates typical of nodal reactions. This approach is also extended to non-interpolatory basis functions, such as the (truncated) hierarchical B-splines.