bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hybrid equilibrium element with high‐order stress fields for accurate elastic dynamic analysis
Authors: Parrinello Francesco , Borino Guido 
Published: July 2021

AbstractIn the present article the two‐dimensional hybrid equilibrium element formulation is initially developed, with quadratic, cubic, and quartic stress fields, for static analysis of compressible and quasi‐incompressible elastic solids in the variational framework of the minimum complementary energy principle. Thereafter, the high‐order hybrid equilibrium formulation is developed for dynamic analysis of elastic solids in the variational framework of the Toupin principle, which is the complementary form of the Hamilton principle. The Newmark time integration scheme is introduced for discretization of the stress fields in the time domain and dynamic analysis of both the compressible solid and quasi‐incompressible ones. The hybrid equilibrium element formulation provides very accurate solutions with a high‐order stress field and the results of the static and dynamic analyses are compared with the solution of the classic displacement‐based quadratic formulation, showing the convergence of the two formulations to the exact solution and the very satisfying performance of the proposed formulation, especially for analysis of quasi‐incompressible elastic solids.
Asserting Land, Estranging Kin: On Competing Relations of Dependence in Vanuatu
Authors: Bratrud Tom 
Published: July 2021

ABSTRACTThis paper examines how the new material value of land in postcolonial Vanuatu intensifies people's shaping and re‐shaping of claims to autonomy and dependence. Ahamb, like many other villages in Melanesia, originated as a mission community with people moving in from various original homelands. The mix of people from different places facilitated new kinship bonds and senses of community. However, it has also sparked disputes over land rights and leadership, fuelled by the postcolonial government's incentives for converting customary land into registered titles and leases for wealthy investors. The possibility of leasing out land, and preventing others from leasing out land, creates a dynamic where groups increasingly define themselves in terms of landowner clans that exclude outsiders rather than the wider kin networks that include them. Redefinitions of social boundaries generate secondary disputes over dependence and autonomy where care of kin, Christian commitment and future aspirations sometimes prove to be incompatible and in need of negotiation.
Polypyrrole derivatives for detection of toxic gases: A theoretical study
Authors: Coleone Alex Pifer , Barboza Bruno Hori , Batagin‐Neto Augusto 
Published: July 2021

AbstractPolypyrrole (PPy) based compounds have been considered interesting materials for several technological applications, mainly due to their unique optoelectronic properties and high versatility of synthesis. In particular, the sensitivity of their electrical properties to external stimuli defines these polymers as promising candidates for chemical sensor applications. However, the demanding processes involved in the synthesis of 3‐4 substituted PPy derivatives hinders the development of optimized systems. In this report, electronic structure calculations were conducted for a set of branched PPy derivatives aiming to identify promising compounds for chemical sensors. The calculations were carried out in the framework of the density functional theory (DFT), by considering oligomeric systems. The influence of the side groups on the local reactivities and adsorption centers of the compounds were evaluated via condensed‐to‐atoms Fukui indexes and molecular electrostatic potentials. DFT‐based adsorption studies and fully atomistic reactive molecular dynamics (FARMD) simulations were conducted for selected systems considering toxic gases as analytes. The results point out PPy, PPy‐CCH and PPy‐CN as promising candidates for chemical sensor applications, presenting high potential for the detection of Cl2 and SO2. FARMD results indicate that the analysis of local reactivities and electrostatic potentials can be used to identify relevant adsorption centers and possible degradation processes.
Respiratory function in children with nephrotic syndrome: Comparative evaluation of impulse oscillometry and spirometry
Authors: Kilci Fatih , Uyan Zeynep S. , Çelakıl Mehtap E. , Doğan Kenan , Bek Kenan 
Published: July 2021

AbstractAimTo evaluate the respiratory functions of children with nephrotic syndrome (NS) by impulse oscillometry (IOS) and its correlation with spirometry.MethodsFifty‐five NS patients aged 3–18 years were included as the study group and 40 healthy children of the same age formed the control group. Patients were divided into nephrotic phase (first attack and relapse) and remission. Demographic, anthropometric, and laboratory data of the children were recorded. Respiratory functions were evaluated by IOS and spirometry. Children over 6‐years old performed both IOS and spirometry while children under 6 years performed only IOS.ResultsThe R (R5%, R10%, R5‐20), AX and Z5% values of IOS in patients with nephrotic phase were higher than remission patients and control group while spirometry indices of PEF% and MEF25‐75% were lower. Z scores of MEF25‐75 were significantly negatively correlated with z scores of R5, R10, Z5, and Fres while they were significantly positively correlated with z scores of X values (5, 10, 15, and 20 Hz). Z scores of forced expiratory volume in 1 /forced vital capacity significantly negatively correlated with z scores of R values (R5, R10), Z5 and AX and positively correlated with z scores of X values (X5, X10, X15 Hz).ConclusionOur study demonstrated that respiratory functions measured by IOS and spirometry were affected at the time of nephrotic phase in NS patients. IOS, a novel method easily applicable even in small children, is a potentially valuable tool to detect this condition; given its good correlation with spirometry.
Comparison of pediatric empyema secondary to tuberculosis or non‐tuberculosis community‐acquired pneumonia in those who underwent surgery in high TB burden areas
Authors: Yang Gang , Wen Yang , Chen Ting , Xu Chang , Yuan Miao , Li Yuan 
Published: July 2021

AbstractIntroductionTuberculous empyema (TE) in children is common in high‐TB burden and medical resource‐limited areas. However, studies that evaluate the characteristics of TE in children are sparse. This study aimed to analyze the clinical features of pediatric TE receiving surgical intervention.MethodsWe performed a retrospective study of children with empyema secondary to community‐acquired pneumonia who underwent surgery in our institution. The clinical characteristics were compared between TE and empyema secondary non‐tuberculosis infection (non‐tuberculosis empyema, NTE).ResultsOne hundred patients were included (27 with TE and 73 with NTE). Stage 3 empyema occupied 81.5% and 45.2% of TE and NTE in this study. The TE children had older age, longer duration of illness, and milder symptoms. Pleural fluid culture was positive for Mycobacterium tuberculosis in 7.4% of patients with TE. Lymph node enlargement, lymph node calcification, and pleural nodules presented in TE with high specificity (93.2%, 98.6%, and 98.5%) but low sensitivity (33.3%, 14.8%, and 29.6%) on CT scan. Thoracoscopy surgery was performed in 14 (51.9%) in TE and 39 (53.4%) in NTE. Postoperative chest‐tube indwelling time was longer (7.85 ± 5.00 vs. 4.89 ± 1.81 days, p < .001), and more patients had incomplete lung expansion after 3 months in TE.ConclusionTuberculosis infection should be screened in management of children with empyema in high‐TB burden areas. Pediatric TE usually presented at older age and with milder respiratory symptoms. Pleural biopsy during surgery is often necessary to confirm the cause of infection. Thoracotomy is still required in some pediatric TE or NTE with delayed treatment in medical resource‐limited area.
Structures of the TetR‐like transcription regulator RcdA alone and in complexes with ligands
Authors: Pietrzyk‐Brzezinska Agnieszka J. , Cociurovscaia Anna 
Published: July 2021

AbstractRcdA is a helix‐turn‐helix (HTH) transcriptional regulator belonging to the TetR family. The protein regulates the transcription of curlin subunit gene D, the master regulator of biofilm formation. Moreover, it was predicted that it might be involved in the regulation of up to 27 different genes. However, an effector of RcdA and the environmental conditions which trigger RcdA action remain unknown. Herein, we report the first crystal structures of RcdA in complexes with ligands, trimethylamine N‐oxide (TMAO) and tris(hydroxymethyl)aminomethane (Tris), which might serve as RcdA effectors. Based on these structures, the ligand‐binding pocket of RcdA was characterized in detail. The conservation of the amino acid residues forming the ligand‐binding cavity was analyzed and the comprehensive search for RcdA structural homologs was performed. This analysis indicated that RcdA is structurally similar to multidrug‐binding TetR family members, however, its ligand‐binding cavity differs significantly from the pockets of its structural homologs. The interaction of RcdA with TMAO and Tris indicates that the protein might be involved in alkaline stress response.
Spermidine and spermine exert protective effects within the lung
Authors: Wawrzyniak Marcin , Groeger David , Frei Remo , Ferstl Ruth , Wawrzyniak Paulina , Krawczyk Krzysztof , Pugin Benoit , Barcik Weronika , Westermann Patrick , Dreher Anita , Scharl Michael , Jutel Marek , Akdis Cezmi A. , O`Mahony Liam 
Published: July 2021

AbstractAsthma is a heterologous disease that is influenced by complex interactions between multiple environmental exposures, metabolism, and host immunoregulatory processes. Specific metabolites are increasingly recognized to influence respiratory inflammation. However, the role of protein‐derived metabolites in regulating inflammatory responses in the lung are poorly described. The aims of the present study were to quantify polyamine levels in bronchoalveolar lavages (BALs) from healthy volunteers and asthma patients, and to evaluate the impact of each polyamine on inflammatory responses using in vitro models and in a house dust mite (HDM)‐induced respiratory allergy model. Spermidine levels were decreased, while cadaverine levels were increased in BALs from asthma patients compared to healthy controls, using Ultra Performance Liquid Chromatography (UPLC). Both spermine and spermidine inhibit lipopolysaccharide (LPS)‐induced cytokine secretion from human peripheral blood mononuclear cells (PBMCs) and dendritic cells (DCs) in vitro. In addition, oral gavage with spermine or spermidine modulate HDM‐induced cell infiltration, cytokine secretion, and epithelial cell tight junction expression in murine models. Spermidine also reduces airway hyper‐responsiveness. These results suggest that modulation of polyamine metabolism, in particular spermidine, is associated with respiratory inflammation and these molecules and pathways should be further explored as biomarkers of disease and potential targets for novel therapies.
Exploring the enhanced performance of Sb2S3/doped‐carbon composites as potential anode materials for sodium‐ion batteries: A density functional theory approach
Authors: El Hachimi Abdel Ghafour , Guillén‐López Alfredo , Jaramillo‐Quintero Oscar A. , Rincón Marina E. , Sevilla‐Camacho Perla Yazmín , Muñiz Jesús 
Published: July 2021

AbstractThe improvement of performance in sodium ion batteries is a subject of intense research. In this work, a first principle calculations study at the density functional level on the adsorption process of Na adatoms into Sb2S3/carbon (Sb2S3/CM) and Sb2S3/heteroatom doped‐carbon (Sb2S3/S‐CM, Sb2S3/Sb‐CM) is presented. The sulfur and antimony doped‐carbon substrates enhance the adsorption energies, charge transfer, specific capacities and the diffusion properties of Na adatoms into the Sb2S3/S‐CM and Sb2S3/Sb‐CM composite systems. The Na storage capacity trend and the open circuit voltage profile follows the trend observed in previous experimental results. This work explores perspectives through tailoring 2D carbon anodes with doping heteroatoms in the presence of adsorbed Sb2S3 for an outstanding storage capacity and cycling stability architecture.
Negative binomial graphical model with excess zeros
Authors: Park Beomjin , Choi Hosik , Park Changyi 
Published: July 2021

AbstractMarkov random field or undirected graphical models (GM) are a popular class of GM useful in various fields because they provide an intuitive and interpretable graph expressing the complex relationship between random variables. The zero‐inflated local Poisson graphical model has been proposed as a graphical model for count data with excess zeros. However, as count data are often characterized by over‐dispersion, the local Poisson graphical model may suffer from a poor fit to data. In this paper, we propose a zero‐inflated local negative binomial (NB) graphical model. Due to the dependencies of parameters in our models, a direct optimization of the objective function is difficult. Instead, we devise expectation‐minimization algorithms based on two different parametrizations for the NB distribution. Through a simulation study, we illustrate the effectiveness of our method for learning network structure from over‐dispersed count data with excess zeros. We further apply our method to real data to estimate its network structure.
Connecting Instrumental Variable methods for causal inference to the Estimand Framework
Authors: Bowden Jack , Bornkamp Björn , Glimm Ekkehard , Bretz Frank 
Published: July 2021

AbstractCausal inference methods are gaining increasing prominence in pharmaceutical drug development in light of the recently published addendum on estimands and sensitivity analysis in clinical trials to the E9 guideline of the International Council for Harmonisation. The E9 addendum emphasises the need to account for post‐randomization or ‘intercurrent’ events that can potentially influence the interpretation of a treatment effect estimate at a trial's conclusion. Instrumental Variables (IV) methods have been used extensively in economics, epidemiology, and academic clinical studies for ‘causal inference,’ but less so in the pharmaceutical industry setting until now. In this tutorial article we review the basic tools for causal inference, including graphical diagrams and potential outcomes, as well as several conceptual frameworks that an IV analysis can sit within. We discuss in detail how to map these approaches to the Treatment Policy, Principal Stratum and Hypothetical ‘estimand strategies’ introduced in the E9 addendum, and provide details of their implementation using standard regression models. Specific attention is given to discussing the assumptions each estimation strategy relies on in order to be consistent, the extent to which they can be empirically tested and sensitivity analyses in which specific assumptions can be relaxed. We finish by applying the methods described to simulated data closely matching two recent pharmaceutical trials to further motivate and clarify the ideas.
Synthesis of g‐C3N4, Zn3(PO4)2 and g‐C3N4/Zn3(PO4)2 Composites for Application in Photodegradation of Crystal Violet Dye under Solar Light
Authors: Ben Sachin Kumar , Gupta Sakshi , Raj Krishna Kumar , Chandra Vimlesh 
Published: July 2021

AbstractThe g‐C3N4/Zn3(PO4)2 composites were synthesized in the aqueous medium via chemical precipitation route. The photocatalytic activity of these photocatalysts was evaluated for the degradation of aqueous crystal violet (CV) dye under solar light. The optimum photocatalytic activity of g‐C3N4/Zn3(PO4)2 composite was found for 30 % weight of g‐C3N4. The comparison experiments showed the photocatalytic activity of the g‐C3N4/Zn3(PO4)2 composite increased 2 times compare to bare Zn3(PO4)2 and 1.5 times of g‐C3N4. The enhanced photocatalytic activity originates due to the transfer of photogenerated electrons from the conduction band of g‐C3N4 to the Zn3(PO4)2 which makes well‐separated electron‐hole pairs. The degradation capacity increases with an increase in the pH of the solution up to 8 and then decreases up to 10 and then again starts increasing. The addition of scavengers decreases degradation capacity of g‐C3N4/Zn3(PO4)2 composite in the order of Ethylene diamine tetra‐acetic acid‐Na2 (EDTA)>tert‐butyl alcohol (TBA)>L‐ascorbic acid (AA). The degradation of CV over g‐C3N4/Zn3(PO4)2 composite mainly attributed by the holes. The interfering anions (except Br−) decrease the degradation capacity of Zn3(PO4)2 whereas in the case of composite no change in the degradation capacity was observed. The recycling experiment for the degradation of CV dye was performed on bare Zn3(PO4)2 and g‐C3N4/Zn3(PO4)2 composite and found better stability and recyclability of the composite material.
Universal Fabrication of Highly Efficient Plasmonic Thin‐Films for Label‐Free SERS Detection
Authors: Gullace Sara , Montes‐García Verónica , Martín Victor , Larios David , Girelli Consolaro Valentina , Obelleiro Fernando , Calogero Giuseppe , Casalini Stefano , Samorì Paolo 
Published: July 2021

AbstractThe development of novel, highly efficient, reliable, and robust surface enhanced Raman scattering (SERS) substrates containing a large number of hot spots with programmed size, geometry, and density is extremely interesting since it allows the sensing of numerous (bio‐)chemical species. Herein, an extremely reliable, easy to fabricate, and label‐free SERS sensing platform based on metal nanoparticles (NPs) thin‐film is developed by the layer‐by‐layer growth mediated by polyelectrolytes. A systematic study of the effect of NP composition and size, as well as the number of deposition steps on the substrate's performance, is accomplished by monitoring the SERS enhancement of 1‐naphtalenethiol (532 nm excitation). Distinct evidence of the key role played by the interlayer (poly(diallyldimethylammonium chloride) (PDDA) or PDDA‐functionalized graphene oxide (GO@PDDA)) on the overall SERS efficiency of the plasmonic platforms is provided, revealing in the latter the formation of more uniform hot spots by regulating the interparticle distances to 5 ± 1 nm. The SERS platform efficiency is demonstrated via its high analytical enhancement factor (≈106) and the detection of a prototypical substance(tamoxifen), both in Milli‐Q water and in a real matrix, viz. tap water, opening perspectives towards the use of plasmonic platforms for future high‐performance sensing applications.
The effect of resin uptake on the flexural properties of compression molded sandwich composites
Authors: Cao Dongyang , Malakooti Sadeq , Kulkarni Vijay N. , Ren Yao , Liu Yingjian , Nie Xu , Qian Dong , Griffith D. Todd , Lu Hongbing 
Published: July 2021

AbstractResin uptake plays a critical role in the stiffness‐to‐weight ratio of wind turbine blades in which sandwich composites are used extensively. This work examines the flexural properties of nominally half‐inch thick sandwich composites made with polyvinyl chloride (PVC) foam cores (H60 and H80; PSC and GPC) at several resin uptakes. We found that the specific flexural strength and modulus for the H80 GPC sandwich composites increase from 82.04 to 90.70 kN · m/kg and 6.03 to 7.13 MN · m/kg, respectively, with 11.0% resin uptake reduction, which stands out among the four core sandwich composites. Considering reaching a high stiffness‐to‐weight ratio while preventing resin starvation, 32% to 38% and 40% to 45% resin uptakes are adequate ranges for the H80 PSC and GPC sandwich composites, respectively. The H60 GPC sandwich composites have lower debonding toughness than H60 PSC due to stress concentration in the smooth side skin‐core interphase region. The ailure mode of the sandwich composites depends on the core stiffness and surface texture. The H60 GPC sandwich composites exhibit core shearing and bottom skin‐core debonding failure, while the H80 GPC and PSC sandwich composites show top skin cracking and core crushing failure. The findings indicate that an appropriate range of resin uptake exists for each type of core sandwich composite, and that within the range, a low‐resin uptake leads to lighter blades and thus lower cyclic gravitational loads, beneficial for long blades.
Parton distributions in the SMEFT from high-energy Drell-Yan tails
Authors: Greljo Admir , Iranipour Shayan , Kassabov Zahari , Madigan Maeve , Moore James , Rojo Juan , Ubiali Maria , Voisey Cameron 
Published: July 2021

Abstract
The high-energy tails of charged- and neutral-current Drell-Yan processes provide important constraints on the light quark and anti-quark parton distribution functions (PDFs) in the large-x region. At the same time, short-distance new physics effects such as those encoded by the Standard Model Effective Field Theory (SMEFT) would induce smooth distortions to the same high-energy Drell-Yan tails. In this work, we assess for the first time the interplay between PDFs and EFT effects for high-mass Drell-Yan processes at the LHC and quantify the impact that the consistent joint determination of PDFs and Wilson coefficients has on the bounds derived for the latter. We consider two well-motivated new physics scenarios: 1) electroweak oblique corrections ($$ \hat{W},\hat{Y} $$

W
̂

,

Y
̂

) and 2) four-fermion interactions potentially related to the LHCb anomalies in R(K(*)). We account for available Drell-Yan data, both from unfolded cross sections and from searches, and carry out dedicated projections for the High-Luminosity LHC. Our main finding is that, while the interplay between PDFs and EFT effects remains moderate for the current dataset, it will become a significant challenge for EFT analyses at the HL-LHC.
TwInflation
Authors: Deshpande Kaustubh , Kumar Soubhik , Sundrum Raman 
Published: July 2021

Abstract
The general structure of Hybrid Inflation remains a very well-motivated mechanism for lower-scale cosmic inflation in the face of improving constraints on the tensor-to-scalar ratio. However, as originally modeled, the “waterfall” field in this mechanism gives rise to a hierarchy problem (η−problem) for the inflaton after demanding standard effective field theory (EFT) control. We modify the hybrid mechanism and incorporate a discrete “twin” symmetry, thereby yielding a viable, natural and EFT-controlled model of non-supersymmetric low-scale inflation, “Twinflation”. Analogously to Twin Higgs models, the discrete exchange-symmetry with a “twin” sector reduces quadratic sensitivity in the inflationary potential to ultra-violet physics, at the root of the hierarchy problem. The observed phase of inflation takes place on a hilltop-like potential but without fine-tuning of the initial inflaton position in field-space. We also show that all parameters of the model can take natural values, below any associated EFT-cutoff mass scales and field values, thus ensuring straightforward theoretical control. We discuss the basic phenomenological considerations and constraints, as well as possible future directions.