bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Polyacrylate‐Based Polyurethane by Organocatalyzed Group Transfer Polymerization and Polyaddition
Authors: Liu Yujian , Jia Qun , Ding Yuansheng , Chen Yougen 
Published: August 2020

AbstractThe current work describes the synthesis of novel polyacrylate‐based polyurethanes through the polyaddition of hexamethylene diisocyanate (HDI) with α,ω‐hydroxyl end‐functionalized polyacrylates (HO‐PA‐OHs), including α,ω‐hydroxyl end‐functionalized poly(n‐butyl acrylate) (HO‐PnBA‐OH), poly(n‐octyl acrylate) (HO‐PnOA‐OH), and poly(n‐lauryl acrylate) (HO‐PnLA‐OH), respectively. HO‐PA‐OHs are prepared by the N‐(trimethylsilyl)bis(trifluoromethanesulfonyl)imide (Me3SiNTf2)‐catalyzed group transfer polymerizations (GTPs) of n‐butyl acrylate (nBA), n‐octyl acrylate (nOA), and n‐lauryl acrylate (nLA) in toluene at room temperature using the functional 1‐(2‐triisopropylsiloxyethoxy)‐1‐triisopropylsiloxy‐2‐methyl‐1‐propene as an initiator and the low ceiling temperature acrylate, 2‐(triisopropylsiloxy)ethyl α‐phenylacrylate, as a terminator, followed by the desilylation of the resulting α,ω‐triisopropylsiloxy end‐functionalized polyacrylates (iPr3SiO‐PA‐OSiiPr3s) using tetra‐n‐butylammonium fluoride (TBAF). The polyaddition reactions between HO‐PA‐OHs and HDI are carried out in toluene using 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) as the catalyst to afford the target polyacrylate‐based polyurethanes. The polymer structures are characterized by 1H NMR spectroscopy and FT‐IR measurements. The thermal properties of the resulting polyacrylate‐based polyurethanes are investigated by differential scanning calorimeter.
Functional Polymers and Polymer–Dye Composites for Food Sensing
Authors: Zhang Hang , Chan‐Park Mary B. , Wang Mingfeng 
Published: August 2020

AbstractThe sensitive, safe, and portable detection of food spoilage is becoming unprecedentedly important because it is closely related to the public health and economic development, particularly given the globalization of food supply chain. However, the existing approaches for food monitoring are still limited to meet these requirements. To address this challenge, much research has been done to develop an ideal food sensor that can indicate food quality in real‐time in a sensitive and reliable way. So far, many sensors such as time–temperature indicators, smart trademarks, colorimetric tags, electronic noses, and electronic tongues, have been developed and even commercialized. In this feature article, the recent progress of food sensors based on functional polymers, including the molecular design of polymer structures, sensing mechanisms, and relevant processing techniques to fabricate a variety of food sensor devices is reviewed.
A dual‐band and wide‐band branch‐line coupler with a large frequency ratio
Authors: Jia Leyu , Zhang Li , Zhang Chi 
Published: August 2020

AbstractThis article presents a dual‐band and wide‐band branch‐line coupler with a large frequency ratio. By combining the cascade technique with cross coupled branch lines, the proposed coupler can acquire the function of wideband and dual‐band. Furthermore, the proposed coupler can realize a large frequency ratio of 2.6 due to the new structure. For experimental verification, both the simulation and measurement results of the proposed coupler designed to operate at 1 and 2.6 GHz are presented. The measured results validate good dual‐band performance with enhanced bandwidths (1 dB imbalance) up to 34.7% and 14.9%, respectively.
Patients' perceptions on shared decision making during prescription of subcutaneous biological drug treatments for inflammatory arthritis: The RHEU‐LIFE survey
Authors: de Toro Javier , González Carlos M. , Cea‐Calvo Luis , Arteaga María J. , Fernández Sabela , Carmona Loreto , Otón Teresa 
Published: August 2020

AbstractObjectivesThe aim of this study was to explore the preferences of patients with rheumatic diseases and their perceived experience regarding participation in shared decision making (SDM) when they were prescribed a subcutaneous (SC) biological drug.MethodsA printed survey was handed to 1,000 patients with inflammatory rheumatic diseases treated with SC biological drug. The survey included closed questions about preferences regarding decision making and about patients' experience when they were prescribed an SC biological drug. Descriptive statistics were performed with stratification by patient profiles, using chi‐square for comparisons between groups.ResultsA total of 592 surveys were received (response rate 59.2%, mean age 51.7 years, 57.6% women). Some 28.2% of patients reported preferring to take part in treatment selection, a percentage that was higher in younger patients, in those with higher academic degree and in those who search information in sources different to that of health care professionals. Over half of patients (56.3%) perceived that the rheumatologist considered their opinion when prescribing an SC biological drug, a percentage higher in younger people. Only in 40.8% of cases did the patients' preference match their perception of their participation in the process. No differences were observed by sex, disease or number of biologics.ConclusionsPatients with inflammatory rheumatic diseases want information about their treatments but mostly leave the prescription decision to the rheumatologist. Younger people, or those with higher academic degree, more often want to participate in the SDM. There are discrepancies between patient preferences and perceptions of this process.
Trustful ad hoc cross‐organizational data exchanges based on the Hyperledger Fabric framework
Authors: Van Hoye Laurens , Wauters Tim , De Turck Filip , Volckaert Bruno 
Published: August 2020

SummaryOrganizations share data in a cross‐organizational context when they have the goal to derive additional knowledge by aggregating different data sources. The collaborations considered in this article are short‐lived and ad hoc, that is, they should be set up in a few minutes at most (e.g., in emergency scenarios). The data sources are located in different domains and are not publicly accessible. When a collaboration is finished, it is however unclear which exchanges happened. This could lead to possible disputes when dishonest organizations are present. The receipt of requests/responses could be falsely denied or their content could be point of discussion. In order to prevent such disputes afterwards, a logging mechanism is needed which generates a replicated irrefutable proof of which exchanges have happened during a single collaboration. Distributed database solutions can be taken from third parties to store the generated logs, but it can be difficult to find a party which is trusted by all participating organizations. Permissioned blockchains provide a solution for this as each organization can act as a consensus participant. Although the consensus mechanism of the permissioned blockchain Hyperledger Fabric (versions 1.0–1.4) is not fully decentralized, which clashes with the fundamental principle of blockchain, the framework is used in this article as an enabler to set up a distributed database, and a proposal for a logging mechanism is presented which does not require the third party to be fully trusted. A proof of concept is implemented which can be used to experiment with different data exchange setups. It makes use of generic web APIs and behaves according to a Markov chain in order to create a fully automated data exchange scenario where the participants explore their APIs dynamically. The resulting mechanism allows a data‐delivering organization to detect missing logs and to take action, for example, (temporarily) suspend collaboration. Furthermore, each organization is incentivized to follow the steps of the logging mechanism as it may lose access to data of others, otherwise. The created proof of concept is scaled to 10 organizations, which autonomously exchange different data types for 10 min, and evaluation results are presented accordingly.
High‐order symmetric cubature rules for tetrahedra and pyramids
Authors: Jaśkowiec Jan , Sukumar N. 
Published: August 2020

AbstractIn this article, we present an algorithm to construct high‐order fully symmetric cubature rules for tetrahedral and pyramidal elements, with positive weights and integration points that are in the interior of the domain. Cubature rules are fully symmetric if they are invariant to affine transformations of the domain. We divide the integration points into symmetry orbits where each orbit contains all the points generated by the permutation stars. These relations are represented by equality constraints. The construction of symmetric cubature rules require the solution of nonlinear polynomial equations with both inequality and equality constraints. For higher orders, we use an algorithm that consists of five sequential phases to produce the cubature rules. In the literature, symmetric numerical integration rules are available for the tetrahedron for orders p = 1–10, 14, and for the pyramid up to p = 10. We have obtained fully symmetric cubature rules for both of these elements up to order p = 20. Numerical tests are presented that verify the polynomial‐precision of the cubature rules. Convergence studies are performed for the integration of exponential, weakly singular, and trigonometric test functions over both elements with flat and curved faces. With increase in p, improvements in accuracy is realized, though nonmonotonic convergence is observed.
The fast scalar auxiliary variable approach with unconditional energy stability for nonlocal Cahn–Hilliard equation
Authors: Liu Zhengguang , Li Xiaoli 
Published: August 2020

AbstractComparing with the classical local gradient flow and phase field models, the nonlocal models such as nonlocal Cahn–Hilliard equations equipped with nonlocal diffusion operator can describe more practical phenomena for modeling phase transitions. In this paper, we construct an accurate and efficient scalar auxiliary variable approach for the nonlocal Cahn–Hilliard equation with general nonlinear potential. The first contribution is that we have proved the unconditional energy stability for nonlocal Cahn–Hilliard model and its semi‐discrete schemes carefully and rigorously. Second, what we need to focus on is that the nonlocality of the nonlocal diffusion term will lead the stiffness matrix to be almost full matrix which generates huge computational work and memory requirement. For spatial discretizaion by finite difference method, we find that the discretizaition for nonlocal operator will lead to a block‐Toeplitz–Toeplitz‐block matrix by applying four transformation operators. Based on this special structure, we present a fast procedure to reduce the computational work and memory requirement. Finally, several numerical simulations are demonstrated to verify the accuracy and efficiency of our proposed schemes.
Development and assessment of Moringa oleifera (Sahajana) leaves filler/epoxy composites: Characterization, barrier properties and in situ determination of activation energy
Authors: Mishra Kajal , Sinha Shishir 
Published: August 2020

AbstractThis study concerns with investigation and analysis of hugely available, cost effective filler, obtained by grinding the Moringa oleifera leaves and its reinforcement in epoxy composites for semi‐structural applications. In this work, this novel filler is characterized by compositional analysis, FTIR, AFM, SEM, XRD, and TGA, along with the calculation of activation energy from two integral methods. To understand the interfacial surface chemistry of the fiber, X‐ray photoelectron spectroscopy (XPS) is also carried out. The size of filler was kept at 300 to 500 μm, and composites were prepared with five different loadings ranging from 5% to 25% using hand layup method of fabrication. The effect of varying loadings of filler on water uptake, mechanical, morphological, and thermal properties of its epoxy composites has been evaluated. Composites possess improved water resistance, tensile and flexural strengths in comparison with neat epoxy for an optimum loading of 20%, that is, 37 MPa. FWO and KAS methods are used to calculate the apparent activation energy of fillers. The apparent activation energy calculated from these methods comes to be 220 and 222 kJ/mol. The crystallinity index comes to be 55% which is comparable with other fibers. Approximately 12% increment in tensile strength and 10% in flexural strength takes place compared with neat epoxy at optimum fiber loading of 20%.
Boosting return to work after breast cancer: The mediator role of perceived emotional intelligence
Authors: Gómez‐Molinero Rocío , Guil Rocío 
Published: August 2020

AbstractObjectiveThis study aimed to explore work ability (WA) in breast cancer (BC) survivors and to examine the mechanism by which perceived emotional intelligence (PEI) acts as a covitality factor that preserves WA and promotes the return to work in this clinical population.MethodsThe sample was composed of 622 women divided into two groups: BC survivors (6.75%) and healthy controls (93.25%). Participants completed the Work Ability Index and Trait‐Meta‐Mood Scales. Descriptive statistical and serial mediation analyses were conducted to explore the mechanism by which PEI influences the relationship between BC survivors and WA.ResultsPreliminary descriptive analysis showed that BC survivors displayed lower levels of WA than healthy controls. The overall serial mediation analysis revealed that BC and PEI predicted 35.4% of the variance of WA. The direct effects showed that BC and age decrease WA. Regarding PEI, our results indicated that emotional clarity and mood repair lead to higher WA, while emotional attention decreased the ability to work in both, the BC sample and healthy controls. The mediation analysis revealed that WA could be preserved in BC survivors by an indirect effect through mood repair.ConclusionsOur findings support previous research demonstrating that BC patients have lower levels of WA compared to healthy controls. This study highlighted the relevance of PEI as a covitality factor that enhances WA. Our research offers vital support for the need to improve emotional competences in BC patients to increase WA levels and return to work odds.
SINGV: A convective‐scale weather forecast model for Singapore
Authors: Dipankar Anurag , Webster Stuart , Sun Xiangming , Sanchez Claudio , North Rachel , Furtado Kalli , Wilkinson Jonathan , Lock Adrian , Vosper Simon , Huang Xiang‐Yu , Barker Dale 
Published: August 2020

AbstractNumerical weather prediction (NWP) capabilities in the Maritime Continent are not as developed as in the midlatitudes. Countries in the region do not develop their own modelling systems; rather they adapt models primarily developed for the midlatitudes. Due to the complexity of processes involved in the region, this adaptation is non‐trivial. In this article the developments made by the Meteorological Service Singapore (MSS) and the United Kingdom Met Office (UKMO) to implement a convective‐scale NWP system for short‐range weather prediction for Singapore and the surrounding regions are presented. In particular, this article describes the changes to the initial model configuration, which was based on the UKMO's convective‐scale NWP system (the UKV), to produce operational forecasts over this region. Results presented here demonstrate the benefit of convection‐permitting simulations over convection parametrized simulations and show that the model performance is greatly affected by the choice of driving model, the cloud scheme, and the turbulence scheme.
The KOALA program: Wavefunction frozen‐density embedding
Authors: Höfener Sebastian 
Published: August 2020

AbstractThe KOALA program is presented, and its capabilities are discussed. KOALA is an ab initio code that uses Gaussian‐type basis sets with a focus on a treatment of wavefunction embedding methods, for which all subsystems can be relaxed with their corresponding wavefunction density. Among the key features of the program is a Davidson solver that is capable of treating, for example, both linear response for coupled‐cluster methods and density functional theory, as well as solving the Z‐vector equations for orbital‐relaxed ground‐state and excited‐state molecular properties. This solver is combined with frozen‐density embedding, which circumvents the problem of the steep scaling of conventional supermolecular correlation methods, enabling the computation of anisotropic environment effects without using semiempirical methods. A brief theoretical overview is given, and case studies for which the program could be used are discussed, as well as the efficiency for systems containing a total of hundreds of atoms, which can be divided into smaller subsystems.
The magnetic binary lithium clusters W2Lin (n = 15‐19): A theoretical prediction of “di‐superatomic molecules”
Authors: Yan Lijuan 
Published: August 2020

AbstractBased on the super valence bond (SVB) model, a motif of face‐sharing bi‐tetrahexahedral superatomic molecules M1M2@Li20 (M1/M2 = Ti and W) was recently constructed by fusion of two tetrahexahedral superatoms Ti@Li14 and W@Li14. Here, as an extension of the formation of molecules from superatoms, binary lithium clusters W2Lin (n = 14‐19) are studied in conjunction with particle swarm optimization algorithm search and density functional theory calculations. The lowest‐lying isomers of W2Lin (n = 15‐19) with the magnetic moments of 0 to 3 μB are identified as superatomic molecules by analysis of their molecular orbitals and chemical bonding patterns, whereas the global minimum isomer of W2Li14 does not possess the geometric structure of monomer. Via a lithium atom sequentially removed, a series of superatomic bond orders of 3, 3.5, 4, and 4.5 are exposed, reminiscent of classical chemical bonds. Meanwhile, many isosupermolecules are found in the low‐energy structures, predicting the diversity assembly of superatom materials. Our results highlight the tremendous opportunities for molecules assembled by superatoms, which may be in favor of the designs of nanoparticles or functional materials in future according to the SVB model.
Embedding spanning subgraphs in uniformly dense and inseparable graphs
Authors: Ebsen Oliver , Maesaka Giulia S. , Reiher Christian , Schacht Mathias , Schülke Bjarne 
Published: August 2020

We consider sufficient conditions for the existence of kth powers of Hamiltonian cycles in n‐vertex graphs G with minimum degree for arbitrarily small . About 20 years ago Komlós, Sarközy, and Szemerédi resolved the conjectures of Pósa and Seymour and obtained optimal minimum degree conditions for this problem by showing that suffices for large n. For smaller values of the given graph G must satisfy additional assumptions. We show that inducing subgraphs of density d > 0 on linear subsets of vertices and being inseparable, in the sense that every cut has density at least , are sufficient assumptions for this problem and, in fact, for a variant of the bandwidth theorem. This generalizes recent results of Staden and Treglown.
Cellulose Fibrils Extracted from Bamboo Chips as a Reinforcing Material for Prolonged Drug Release
Authors: Yan Guihua , Feng Yunchao , Wang Huiqiang , Sun Yong , Tang Xing , Zeng Xianhai , Lin Lu 
Published: August 2020

AbstractDespite significant improvements in the intelligent delivery of drugs, the search for drug carriers with low cost and long‐term sustainable release still faces enormous challenges. In this study this issue was addressed for porous cellulose‐based aerogels by developing a Temperature/pH stimuli‐responsive carrier for drug controlled release. The prepared aerogels exhibited a smart 3D network with large specific surface area (112.6 m2 g−1) that facilitated the loading and transport of drug molecules. The aerogels were highly responsive to both temperature and pH in aqueous solution, which acted as a good switch for the molecular to control the release by adjusting the solution parameters. Moreover, the cell cytotoxicity and acute oral toxicity tests did not cause specific reactions and showed excellent biocompatibility. The simple manufacturing process, reversible drug release performance as well as the excellent biocompatibility make it a promising candidate for drug delivery.
Usability implications in software architecture: The case study of a mobile app
Authors: Capilla Rafael , Kazman Rick , Romera Carlos , Carrillo Carlos 
Published: August 2020

AbstractUsability is a highly desired but often ignored software quality. Effective user interfaces tend to increase learnability, effectiveness and user satisfaction. But usability is often neglected in the early stages of software development and is thus frequently not address in a system's architectural design. Furthermore, because usability is often neglected or deferred, it is difficult to estimate the effort specifically spent on adding or improving usability mechanisms in the software architecture and in code. In this work, we present a case study where we analyze the impact of introducing a variety of usability mechanisms to a mobile application and we report on the architectural changes that must be made in the software architecture to accommodate them. We also report on the additional code required to implement these usability mechanisms and we investigate the users' satisfaction of combining and using several usability mechanisms in a mobile application. Finally, we evaluated user responses—both positive and negatives—to these usability mechanisms via a questionnaire involving 25 users from different roles and different organizations and including contextual interviews to analyze the qualitative responses of the subjects. Our results show that apart from the relatively modest modeling and coding effort, the combination of several usability mechanisms seems beneficial for users of mobile systems and increases the satisfaction during the interaction with the system.
Responding to Informational Texts Across the Efferent–Aesthetic Continuum in Preschool
Authors: Robinson Ariel 
Published: August 2020

AbstractThe author compared preschool teachers’ and students’ responses to informational texts (nonfiction) as they read together in small groups. Drawing from reader response theory, similarities and differences were found in teachers’ and students’ reading behaviors. Teachers took a predominantly efferent stance toward the texts because the teachers’ primary purposes were to provide students with information on topics of interest and to expose students to academic vocabulary and content. Conversely, students moved fluidly along the efferent–aesthetic continuum as they sought information, engaged in perspective taking, and responded with strong emotions and through dramatic interpretation. Based on these findings, teachers might reflect on their past experiences and reactions to informational texts so they can widen their own repertoires of response and encourage students to respond in a wide variety of ways during read‐alouds.
Tests of Seiberg-like dualities in three dimensions
Authors: Kapustin Anton , Willett Brian , Yaakov Itamar 
Published: August 2020

AbstractWe use localization techniques to study several duality proposals for supersymmetric gauge theories in three dimensions reminiscent of Seiberg duality. We compare the partition functions of dual theories deformed by real mass terms and FI parameters. We find that Seiberg-like duality for$$ \mathcal{N} $$N= 3 Chern-Simons gauge theories proposed by Giveon and Kutasov holds on the level of partition functions and is closely related to level-rank duality in pure Chern-Simons theory. We also clarify the relationship between the Giveon-Kutasov duality and a duality in theories of fractional M2 branes and propose a generalization of the latter. Our analysis also confirms previously known results concerning decoupled free sectors in$$ \mathcal{N} $$N= 4 gauge theories realized by monopole operators.