bluuebunny/crossref_metadata_2025_split huggingface dataset:
Detailed Reaction Mechanism of Bis‐(o‐Aminomethylphenylboronic Acid)‐based Receptors with Various Length Methylene‐chain Linkers with D‐Glucose
Authors: Ohno Yuki , Tanaka Rei , Suzuki Yota , Sugaya Tomoaki , Iwatsuki Satoshi , Inamo Masahiko , Ishihara Koji 
Published: August 2022

AbstractThe detailed reaction mechanisms of several bis‐(o‐aminomethylphenylboronic acid)‐based receptors, linked with methylene chains of different lengths (i. e., DBAn (n=2, 3, and 4) having 2n methylene groups), with D‐glucose were kinetically investigated in methanolic aqueous solutions. The pKa measurements showed that the two boronic acid moieties in DBAn were equivalent and had no electronic interaction between them. DBA2 reacted with D‐glucose to form a 1 : 1 product, in which two boronic acid moieties in one molecule of DBA2 were bound to two reactive sites in one molecule of D‐glucose. DBA3 and DBA4 reacted with D‐glucose to form a 1 : 2 product, in which the two boronic acid moieties in one molecule of DBA3 or DBA4 were bound to two molecules of D‐glucose simultaneously through one reactive site. Thus, in the recognition of D‐glucose, the distance between the two boronic acid moieties in DBAn was optimal for n=2 and too long for n=3 or 4.
Improved Synthesis of Key Intermediate of Baloxavir Marboxil, an Anti‐Influenza Drug
Authors: Hu Zhenfei , Li Maocheng , Meng Xin , Guo Bin 
Published: August 2022

AbstractIn this article, a process to prepare the key chiral intermediate (R)‐7‐(benzyloxy)‐3,4,12,12a‐tetrahydro‐1H‐[1,4]oxazino[3,4c]pyrido[2,1‐f][1,2,4]triazine‐6,8‐dione 6‐R of influenza antiviral drug baloxavir marboxil is described. The process includes a novel preparation of 2‐(2,2‐dimethoxyethoxy) ethanamine 13 with more convenient and safer manipulation, and a method to convert the mother liquor of the chemical resolution to the racemate 7‐(benzyloxy)‐3,4,12,12a‐tetrahydro‐1H‐[1,4]oxazino[3,4‐c]pyrido[2,1‐f][1,2,4]triazine‐6,8‐dione 6‐rac. This new process has been successfully demonstrated on the 50 g scale of 13 with 66.4 % yield in 3 steps, and 10 g scale of 6‐R via 9 steps with 99.9 % purity, >99 % ee and 11.0 % overall yield. All the steps just involve simple purifications without chromatography.
Improved Durability and Activity of FeVO4 toward Photocatalytic Benzene Hydroxylation by Atomic Layer Deposited Al2O3
Authors: Liang Hanying , Fang Zixun , Wei Danlei , Yu Dexi , Yang Can , Hou Yidong , Zhang Jinshui 
Published: August 2022

AbstractSelective hydroxylation of benzene to phenol over a visible light driven photocatalyst is a sustainable approach for the green synthesis of phenol. Iron vanadate (FeVO4) nanorods with an intrinsic photo‐Fenton catalytic behavior toward H2O2 activation is a promising candidate photocatalyst for the benzene hydroxylation reaction; however, its photocatalytic performance was greatly limited by the serious leaching of metals during the hydroxylation process. Herein, it has been demonstrated that this issue can be well addressed by the conformably coating of FeVO4 nanorods with an atomically‐precise thickness controlled dense Al2O3 layer (FeVO4@Al2O3) through the atomic layer deposition (ALD) technology. The Al2O3 nanolayer can well protect the FeVO4 nanorods from directly contacting with the reaction solution, thus effectively suppressing the leaching of metals during the photocatalytic hydroxylation process. In addition, the Al2O3 coating on FeVO4 also facilitates the kinetic control of heterogeneous benzene hydroxylation reaction over the catalyst surface, such as the benzene adsorption behavior and the photo‐Fenton activation of H2O2. As a result, FeVO4@Al2O3 exhibited an enhanced photocatalytic performance with a good durability in the long‐term production of phenol.
New Dye/Dendrimer Photoinitiating Systems Operating under Visible Radiation: Eco‐Friendly Synthesis of Highly Viscous Polymers
Authors: Militello María Paula , Gambetta Carolina , Ramírez María Laura , Bertolotti Sonia Graciela , Previtali Carlos Mario , Arbeloa Ernesto Maximiliano 
Published: August 2022

AbstractA series of new eco‐friendly photoinitiating systems (PIs) based on several water‐soluble xanthenic dye/PAMAM dendrimer formulations are tested by polymerizing a typical vinyl monomer such as acrylamide. After irradiation with visible LEDs, solutions of viscosity up to 15‐fold higher than those with PIs based on low molecular weight amines are obtained. A correlation between solution viscosity and dendrimer structure is also observed. Polymers with ultra‐high molecular weights up to around 107 are estimated from viscosimetric assays. In addition, very fast reactions are observed under direct solar radiation and the properties of the thus obtained polymers are similar to those synthesized with LEDs. The present findings are promissory for future research and technological applications of the PIs evaluated.
IFC‐based semantic modeling of damaged RC beams using 3D point clouds
Authors: Shu Jiangpeng , Zhang Congguang , Yu Ke , Shooshtarian Mohammed , Liang Peng 
Published: August 2022

AbstractIt is important to assess existing reinforced concrete (RC) structures with damages. This task, however, is traditionally empirical and time‐consuming. To improve assessment accuracy and efficiency, this study proposed an approach to semantic model damaged RC beams based on point clouds. A slice‐based method for automatically modeling deformed beams and a color‐based crack detection method were developed for generating building information modeling (BIM) and finite element (FE) models. Furthermore, to enhance structural assessment and decision‐making by providing both damage and loading performance analysis data, a framework to extend the existing IFC standard was proposed for interoperability issues between FE models and BIM, aiming to integrate semantic‐enrichment damages and FE analysis results in the as‐is BIM model. Experiments were carried out on a simply supported RC beam subjected to a concentrated load. As a result, the improvement of the developed as‐is BIM model for damage visualization and structural assessment was confirmed.
CTL$$^*$$ Model Checking for Data-Aware Dynamic Systems with Arithmetic
Authors: Felli Paolo , Montali Marco , Winkler Sarah 
Published: August 2022

AbstractThe analysis of complex dynamic systems is a core research topic in formal methods and AI, and combined modelling of systems with data has gained increasing importance in applications such as business process management. In addition, process mining techniques are nowadays used to automatically mine process models from event data, often without correctness guarantees. Thus verification techniques for linear and branching time properties are needed to ensure desired behavior.Here we consider data-aware dynamic systems with arithmetic (DDSAs), which constitute a concise but expressive formalism of transition systems with linear arithmetic guards. We present a CTL$$^*$$

∗

model checking procedure for DDSAs that addresses a generalization of the classical verification problem, namely to compute conditions on the initial state, called witness maps, under which the desired property holds. Linear-time verification was shown to be decidable for specific classes of DDSAs where the constraint language or the control flow are suitably confined. We investigate several of these restrictions for the case of CTL$$^*$$

∗

, with both positive and negative results: witness maps can always be found for monotonicity and integer periodicity constraint systems, but verification of bounded lookback systems is undecidable. To demonstrate the feasibility of our approach, we implemented it in an SMT-based prototype, showing that many practical business process models can be effectively analyzed.
Singular solutions for semilinear elliptic equations with general supercritical growth
Authors: Miyamoto Yasuhito , Naito Yūki 
Published: August 2022

AbstractA positive radial singular solution for $$\Delta u+f(u)=0$$

Δ
u
+
f
(
u
)
=
0

with a general supercritical growth is constructed. An exact asymptotic expansion as well as its uniqueness in the space of radial functions are also established. These results can be applied to the bifurcation problem $$\Delta u+\lambda f(u)=0$$

Δ
u
+
λ
f
(
u
)
=
0

on a ball. Our method can treat a wide class of nonlinearities in a unified way, e.g., $$u^p\log u$$

u
p

log
u

, $$\exp (u^p)$$

exp
(

u
p

)

and $$\exp (\cdots \exp (u)\cdots )$$

exp
(
⋯
exp
(
u
)
⋯
)

as well as $$u^p$$

u
p

and $$e^u$$

e
u

. Main technical tools are intrinsic transformations for semilinear elliptic equations and ODE techniques.
The Political Ontology of Corporate Social Responsibility: Obscuring the Pluriverse in Place
Authors: Ehrnström-Fuentes Maria , Böhm Steffen 
Published: August 2022

AbstractThis article examines corporate social responsibility (CSR) through the lens of political ontology. We contend that CSR is not only a discursive mean of legitimization but an inherently ontological practice through which particular worlds become real. CSR enables the politics of place-making, connecting humans and nonhumans in specific territorial configurations in accordance with corporate needs and interests. We discuss three CSR mechanisms of singularization that create a particular corporate ontology in place: (1) community engagements that form ‘stakeholders’; (2) CSR standards and certifications that produce singular sustainable environments; and (3) CSR reporting that erases ontological conflicts and enables the singularized representation (of the environment and the community) to travel to other locations of the corporate world. We argue that these ontological CSR practices obscure the pluriverse of other world and place-making practices that would create different kinds of sustainabilities based on less extractive and non-corporate ways of being in place.
Correlates for Suicidality Among At-risk Youth Receiving Community-Based Mental Health Services
Authors: Celedonia Karen L. , Karukivi Max , Abio Anne , Valenti Michael W. , Lowery Wilson Michael 
Published: August 2022

Abstract“At-risk” adolescents are at high risk of unsuccessfully transitioning into adulthood and are also at elevated risk for suicidal behavior. Though much research has been conducted on risk factors for suicidality among the general adolescent population, research on suicidality among “at-risk” adolescents is lacking. This is a notable gap in the literature given that “at-risk” adolescents may be three times more likely to exhibit suicidality. The present study addressed this research gap by examining correlates for suicidality among “at-risk” adolescents receiving mental health services in the community. Using Electronic Health Record (EHR) data, risk factors for suicidality were analyzed at the bivariate and multivariate levels. Sexual abuse was a significant predictor of suicidality, as well as impulsivity for suicide attempt only. These findings may serve as useful adjuncts in the design of suicidality-screening tools and follow-up practices within the context of community-based mental health organizations which target at-risk adolescents.
Exploring the limits of dissent: the case of shooting bias
Authors: Leuschner Anna , Fernandez Pinto Manuela 
Published: August 2022

AbstractThe shooting bias hypothesis aims to explain the disproportionate number of minorities killed by police. We present the evidence mounting in support of the existence of shooting bias and then focus on two dissenting studies. We examine these studies in light of Biddle and Leuschner’s (2015) “inductive risk account of epistemically detrimental dissent” and conclude that, although they meet this account only partially, the studies are in fact epistemically and socially detrimental as they contribute to racism in society and to a social atmosphere that is hostile to science as scholars working on issues of racism come under attack. We emphasize this final point via recourse to Kitcher’s “Millian argument against the freedom of research.”
Virtual testing of multifunctional moveable actuation systems
Authors: Hollmann R. W. , Schäfer A. , Bertram O. , Rädel M. 
Published: August 2022

AbstractThis work presents the current state of the virtual testing activities performed within the Virtual Product House (VPH) start-up project. In this project a multidisciplinary, collaborative end-to-end process for virtual product design is developed. On the basis of preliminary design and concept studies on aircraft level, the process focusses on design, manufacturing and testing of aircraft systems and structural components with special attention to certification aspects. The initial use case considers the trailing edge flap of a long-range aircraft and its actuation system. Design and analysis tools are integrated in a remote workflow execution environment to automatically generate designs and evaluate them by virtual test means. Virtual tests facilitate knowledge on properties and behavior of the virtual product in early development phases and allow to optimize design flaws in consecutive design iterations to hence reduce the risk of costly corrections later in the development process. The testing is setup in multiple stages. Currently, domain-specific tests are carried out for the moveable structure and its actuation system, with the latter being in focus for the current text. These tests address the functional verification of the actuation system in nominal and failure cases. A SysML model comprising system requirements and architecture is used to model test cases and trace test results. On the basis of these test cases, simulation configurations for virtual tests are automatically built, executed and evaluated. With this method, a continuous evaluation of designs in terms of functional verification of the moveable actuation system is possible. Moreover, the automated execution of all steps allows to determine the effects of design changes quickly without a large amount of labor-intensive and error-prone work.
Algorithmic Political Bias—an Entrenchment Concern
Authors: Franke Ulrik 
Published: August 2022

AbstractThis short commentary on Peters (Philosophy & Technology 35, 2022) identifies the entrenchment of political positions as one additional concern related to algorithmic political bias, beyond those identified by Peters. First, it is observed that the political positions detected and predicted by algorithms are typically contingent and largely explained by “political tribalism”, as argued by Brennan (2016). Second, following Hacking (1999), the social construction of political identities is analyzed and it is concluded that algorithmic political bias can contribute to such identities. Third, following Nozick (1989), it is argued that purist political positions may stand in the way of the pursuit of all worthy values and goals to be pursued in the political realm and that to the extent that algorithmic political bias entrenches political positions, it also hinders this healthy “zigzag of politics”.
Rethinking curriculum: A pandemic opportunity for re-engagement with the Arts?
Authors: Cunningham Margaret , Gibson Robyn 
Published: August 2022

AbstractArticle 26 of the Universal Declaration of Human Rights endorses the goal of education for all children. Inequalities of access and equity, however, are apparent in both the developed and developing world, which indicates that this goal remains aspirational. The rupture of education during the COVID-19 pandemic has amplified these existing inequalities in education systems worldwide. Throughout the pandemic, teachers have modelled a positive mindset as they pivoted from the physical classroom to online learning. This paper will suggest that the current pandemic may indeed offer education policy makers an opportunity to re-think curriculum design and, with a growth mindset, re-engage with the Arts as an equal key learning area in the curriculum. It is to the Arts that schools and communities have turned for joyful and multi-layered support during the pandemic, an underlying belief in the importance of the Arts for the wellbeing and cognitive development of the child. This belief, supported by a robust body of evidence amassed internationally over many decades, is central to the authors’ contention that a more inclusive and comprehensive engagement with the Arts would facilitate curriculum reform, such as that sought by the New South Wales (NSW) government in Australia. Furthermore, we contend that the COVID-19 pandemic may be the necessary catalyst to activate such welcome reform. We anticipate our analysis and its findings to first be relevant for the state of NSW, then beyond, to resonate nationally and internationally.
Quantum algorithms for SVD-based data representation and analysis
Authors: Bellante Armando , Luongo Alessandro , Zanero Stefano 
Published: August 2022

AbstractThis paper narrows the gap between previous literature on quantum linear algebra and practical data analysis on a quantum computer, formalizing quantum procedures that speed-up the solution of eigenproblems for data representations in machine learning. The power and practical use of these subroutines is shown through new quantum algorithms, sublinear in the input matrix’s size, for principal component analysis, correspondence analysis, and latent semantic analysis. We provide a theoretical analysis of the run-time and prove tight bounds on the randomized algorithms’ error. We run experiments on multiple datasets, simulating PCA’s dimensionality reduction for image classification with the novel routines. The results show that the run-time parameters that do not depend on the input’s size are reasonable and that the error on the computed model is small, allowing for competitive classification performances.
Chemical and biological diversity of new natural products from marine sponges: a review (2009–2018)
Authors: Hong Li-Li , Ding Ya-Fang , Zhang Wei , Lin Hou-Wen 
Published: August 2022

AbstractMarine sponges are productive sources of bioactive secondary metabolites with over 200 new compounds isolated each year, contributing 23% of approved marine drugs so far. This review describes statistical research, structural diversity, and pharmacological activity of sponge derived new natural products from 2009 to 2018. Approximately 2762 new metabolites have been reported from 180 genera of sponges this decade, of which the main structural types are alkaloids and terpenoids, accounting for 50% of the total. More than half of new molecules showed biological activities including cytotoxic, antibacterial, antifungal, antiviral, anti-inflammatory, antioxidant, enzyme inhibition, and antimalarial activities. As summarized in this review, macrolides and peptides had higher proportions of new bioactive compounds in new compounds than other chemical classes. Every chemical class displayed cytotoxicity as the dominant activity. Alkaloids were the major contributors to antibacterial, antifungal, and antioxidant activities while steroids were primarily responsible for pest resistance activity. Alkaloids, terpenoids, and steroids displayed the most diverse biological activities. The statistic research of new compounds by published year, chemical class, sponge taxonomy, and biological activity are presented. Structural novelty and significant bioactivities of some representative compounds are highlighted. Marine sponges are rich sources of novel bioactive compounds and serve as animal hosts for microorganisms, highlighting the undisputed potential of sponges in the marine drugs research and development.
Engineering of ultra-high performance self-compacting mortar with recycled steel fibres extracted from waste tires
Authors: Abdolpour Hassan , Niewiadomski Paweł , Sadowski Łukasz , Kwiecień Arkadiusz 
Published: August 2022

Abstract
The main novelty of this study is producing Ultra High-Performance Self Compacting Mortar (UHPSCM) incorporated Recycled Steel Fibre (RSF) from waste tires. For this purpose, different mix compositions including 0%, 1%, and 3% RSF content in terms of volume were proposed. Self-compacting ability was assessed using mini-cone tests, while nondestructive testing has been used to evaluate the effect of RSF inclusion on the compaction of UHPSCM constituent materials. Mechanical performances were investigated using compression and unnotched flexural tests. Residual flexural strength in both service limit state (SLS), ultimate limit state (ULS), and two equivalent flexural strengths were evaluated under notched flexural tests and analysed using statistical approaches. Concrete Damage Plasticity (CDP) has been employed for the analysis behaviour of developed mortars under different loadings. Additionally, an element deletion approach was used to evaluate the fracture of UHPSCM under compression and flexural loadings. The experimental results showed that adding 1% and 3% of RSF resulted in decreasing workability by 3% and 22%, respectively. Improving compressive strength by 16% and 22% and flexural by 7% and 8% were noticed in the case of samples with 1% and 3% fiber, respectively, in 28 days. In spite of the significant improvement of post-cracking behaviour of samples with 3% of RSF, this behaviour was insignificant for the samples with 1% of RSF. However, with less amount of fibre inclusion, brittle failure can be altered to ductile failure. Moreover, the behaviour of the tested specimens under different loadings was successfully predicted using Finite Element (FE) simulations.

Graphical abstract
Near carbon-zero cycle from VOCs capture to carbon fixation
Authors: Yin Zefang , Cui Chaojie , Yu Xiang , Zhao Wanghua , Lin Dexi , Zhang Yu , Li Kang , Qian Weizhong 
Published: August 2022

AbstractA new technical route of organic matter capture and carbon fixation is proposed in response of the increasingly strict emission standards of volatile organic compounds (VOCs) in petrochemical industry and the Chinese national strategic development goals of carbon peak and carbon neutralization. A closed loop from raw materials to adsorbents for gas treatment can be achieved by two key technical characteristics: (1) construct a new mesoporous adsorbent with complete desorption and regeneration function by carbon nanotubes (CNTs); (2) convert gaseous organic matter which cannot be recycled in liquid/gas state to CNTs. It realizes the resource integration of "turning waste into treasure" and maximizes the carbon emission reduction effect of waste gas treatment process without consuming extra precious fossil fuel, compared with the traditional technologies of VOCs treatments, including combustion or catalytic oxidation. What’s more, the increase in supply of various green electricity is expected to change the current situation of large investment and heavy cost burden of environmental protection technology, and make a great contribution to the national carbon peak and carbon neutrality policy.
The -Delaunay tessellation: Description of the model and geometry of typical cells
Authors: Gusakova Anna , Kabluchko Zakhar , Thäle Christoph 
Published: August 2022

AbstractIn this paper we introduce two new classes of stationary random simplicial tessellations, the so-called$\beta$- and$\beta^{\prime}$-Delaunay tessellations. Their construction is based on a space–time paraboloid hull process and generalizes that of the classical Poisson–Delaunay tessellation. We explicitly identify the distribution of volume-power-weighted typical cells, establishing thereby a remarkable connection to the classes of$\beta$- and$\beta^{\prime}$-polytopes. These representations are used to determine the principal characteristics of such cells, including volume moments, expected angle sums, and cell intensities.