bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanistic Insight into Chemical Reactions of Acyclic Diboryloxy Carbenes: the Activation Strain Model Study
Authors: Yang Ming‐Chung , Su Ming‐Der 
Published: February 2021

AbstractTo understand the origin of the activation barriers of the acyclic dioxycarbene and its heavier congeners, [(HCDippN)2BO]2G14 (G14=group 14 element), density functional theory calculations were used to study their reactivity with dihydrogen and ethene. Our computational results reveal that the insertion reaction of [(HCDippN)2BO]2G14 with H2 is energetically unfeasible from a kinetic viewpoint. On the other hand, only [(HCDippN)2BO]2C and [(HCDippN)2BO]2Si can readily undergo the [1+2] cycloaddition reaction with ethene. The activation strain model (ASM) was used to analyze the present computational results. The theoretical analyses indicate that when a small molecule (H2 or H2C=CH2) reacts with a big molecule ([(HCDippN)2BO]2G14), the former molecule must undergo a substantial deformation to gain a better overlap of electron density with the latter molecule. This circumstance, in turn, causes a large strain energy (ΔESTR,H2 or ΔESTR,C2H4) to influence the corresponding activation barrier. Accordingly, the heavier the central group 14 atom in [(HCDippN)2BO]2G14 is, the larger the atomic radius of G14 is, the higher the activation energies for the insertion reaction of [(HCDippN)2BO]2G14 with dihydrogen and the [1+2] cycloaddition reaction of [(HCDippN)2BO]2G14 with ethene will be, and the lower the reactivity of [(HCDippN)2BO]2G14 will be. This finding could help experimental chemists to design novel carbenes possessing fascinating substituents for carbenic chemistry.
Recommendations for conducting the rodent erythrocyte Pig‐a assay: A report from the HESI GTTCPig‐a Workgroup
Authors: Dertinger Stephen D. , Bhalli Javed A. , Roberts Daniel J. , Stankowski Leon F. , Gollapudi B. Bhaskar , Lovell David P. , Recio Leslie , Kimoto Takafumi , Miura Daishiro , Heflich Robert H. 
Published: February 2021

AbstractThe rodent Pig‐a assay is a flow cytometric, phenotype‐based method used to measure in vivo somatic cell mutation. An Organization for Economic Co‐operation and Development (OECD) test guideline is currently being developed to support routine use of the assay for regulatory purposes (OECD project number 4.93). This article provides advice on best practices for designing and conducting rodent Pig‐a studies in support of evaluating test substance safety, with a focus on the rat model. Various aspects of assay conduct, including laboratory proficiency, minimum number of animals per dose group, preferred treatment and blood sampling schedule, and statistical analysis are described.
Hot crack susceptibility of cast Mg97Y2Zn1
Authors: Krbetschek Christina , Trân Ricardo , Wemme Heike , Ullmann Madlen , Prahl Ulrich , Rafaja David 
Published: February 2021

AbstractFormation of hot cracks in alloys is a critical issue for their production and processing. In this study, the susceptibility of the cast Mg97Y2Zn1 alloy containing long period stacking ordered (LPSO) structures to hot cracking was investigated using tensile tests in a Gleeble testing machine, and described in terms of the brittle temperature range (BTR), which was concluded from the zero strength temperature (ZST), zero ductility temperature, and ductility recovery temperature (DRT). The zero ductility and the DRTs were obtained directly from the mechanical tests, verified using fracture surface analysis in a scanning electron microscope, and correlated with the solidification range that was determined using differential scanning calorimetry. The extent of the BTR was 31 K, the width of the solidification range 100 K. The ZST coincided with the dissolution temperature of the LPSO structures, which means that the hot cracking susceptibility of the cast Mg97Y2Zn1 alloy is dominated by the dissolution of LPSO structures.
Dual‐function interface engineering for efficient perovskite solar cells
Authors: Luan Yigang , Wang Fuhui , Zhuang Jing , Lin Tao , Wei Yuanzhi , Chen Ningli , Zhang Yanyan , Wang Fuyi , Yu Ping , Mao Lanqun , Liu Huibiao , Wang Jizheng 
Published: February 2021

AbstractInterface engineering has been proven a powerful tool to improve performances of the perovskite solar cells (PSCs). Herein, highly π‐conjugated graphdiyne (GDY) is employed as an interface linker between the perovskite film and the hole transport layer (HTL). It is found that GDY can significantly suppress the formation of metallic Pb (a detrimental defect), and reduces carrier recombination. The linker can also form π‐π stacking interaction with the HTL, and facilitates transport and collection of photogenerated holes. The perovskite/GDY/HTL combination leads to large improvement in both power conversion efficiency (from 19.94% to 22.17%) and device stability. In addition, the GDY is also applied to the 3D/2D PSCs, and an outstanding PCE of 23.42% is achieved.image
Damping implementation issues for in‐structure response estimation of seismically isolated nuclear structures
Authors: Kumar Satyam , Kumar Manish 
Published: February 2021

AbstractSeismic (base) isolation of a nuclear power plant (NPP) is a viable strategy to reduce seismic demands in structural elements and nonstructural systems and components. Accurate estimation of in‐structure response of base‐isolated NPPs is critical to the analysis and design of safety‐related structural components. Damping models and their implementation in contemporary analysis platforms play a significant role in the numerical response estimation of a nonlinear system. Most of the recent damping studies cater to moment frame buildings for which nonlinearities are modeled using massless rotational springs. There are unique challenges associated with the implementation of damping to numerical models of the base‐isolated NPPs due to the broad frequency range of interest and the markedly different damping characteristics of the isolators and the superstructure. In‐structure response spectra of a base‐isolated NPP are sensitive to the chosen numerical and modeling techniques, both of which are investigated in this paper. Three representations of base‐isolated NPP are considered: (1) a two‐node macro model, (2) a lumped‐mass stick model, and (3) a detailed finite element model. Rayleigh damping, modal damping, uniform frequency damping, and several combinations thereof were used with the three NPP models to obtain the median response of the base‐isolated NPP subject to 30 sets of three‐dimensional ground excitations. The results allow informed decisions regarding the selection of a numerical model and damping implementation to different analysis platforms needed to obtain a reliable in‐structure response of base‐isolated NPPs subject to earthquake shaking.
An engineering approach for evaluating the dynamic response of acceleration‐sensitive secondary systems in flexible structures
Authors: Pardalopoulos Stylianos I. , Manolis George D. 
Published: February 2021

AbstractSecondary systems are nonstructural components that serve important functions within a structure, but are not considered as an integral part of the main structural system. There are many categories of secondary systems addressing architectural aspects, mechanical, electrical, communication, water supply and plumbing functions, as well as being part of the structure's content. The main issue regarding the installation of secondary systems in structures placed in seismically prone regions is preservation of their integrity and functionality during earthquake motions, since failure can have dramatic consequences in terms of property losses and safety concerns. This study introduces a new methodology for approximating the seismic response of acceleration‐sensitive secondary systems with a mass lower than 1% of the total mass of the primary structure, and whose seismic excitation derives exclusively from the motion of that structure, that is, interaction phenomena are ignored. The methodology applies to secondary systems installed on regular and flexible primary structures exhibiting floor diaphragm action and quantifies the seismic demand from information based solely on the deflected shape of the structure at the instant it reaches peak seismic response. The methodology can be applied in alternative ways, depending on the required accuracy of the results and on acceptable computational cost, yielding good quality results when compared to those derived from detailed time‐history analyses. Thus, the present methodology signifies a departure from the current state‐of‐design of acceleration‐sensitive secondary building components, which does not fully account for the vibrations of the primary structure. Finally, the accuracy of the methodology is gauged through a number of application examples involving different combinations of primary‐secondary systems.
The impact of duration of illness on treatment nonresponse and drop‐out: Exploring the relevance of enduring eating disorder concept
Authors: Fernández‐Aranda Fernando , Treasure Janet , Paslakis Georgios , Agüera Zaida , Giménez Mónica , Granero Roser , Sánchez Isabel , Serrano‐Troncoso Eduardo , Gorwood Philip , Herpertz‐Dahlmann Beate , Bonin Eva‐Maria , Monteleone Palmiero , Jiménez‐Murcia Susana 
Published: February 2021

AbstractObjectiveThere are no generally accepted definitions or markers of treatment nonresponse in eating disorders (EDs). The aim of this paper was to examine how the duration of illness and other potential prognostic markers impacted on nonresponse and drop‐out from treatment across different EDs subtypes.MethodsA total sample of 1199 consecutively treated patients with EDs, according to Diagnostic and Statistical Manual of Mental Disorders, fifth edition criteria, participated in this study. Kaplan–Meier curves were calculated for each ED diagnosis in which the probability of recovery was plotted against the duration of illness.ResultsFull remission was more likely for people with binge eating disorder (BED; 47.4%) and anorexia nervosa (AN; 43.9%) compared to bulimia nervosa (BN; 25.2%) and other specified feeding and EDs (OSFED; 23.2%). The cut‐off points for the duration of the illness related with high likelihoods of poor response was 6–8 years among OSFED, 12–14 years among AN and BN and 20–21 years among BED. Other variables predicting nonresponse included dysfunctional personality traits.ConclusionsNonresponse to treatment is associated with duration of illness which is in turn associated with poor response to previous treatment. However, there was no evidence for staging the illness using specific duration of illness criteria. Nevertheless, the shorter temporal trajectory for OSFED suggests that early interventions may be of importance for this group.
The effect of forestry on energy efficiency in EU countries: A non‐oriented dynamic slack‐based data envelopment analysis
Authors: Lu Ching‐Cheng , Lin I‐Fang , Wu Dan , Zhang Xuping 
Published: February 2021

AbstractAccording to the Paris Agreement signed on 12 December 2015, forests have great impact on controlling CO2 emissions. This study uses the nonoriented dynamic slack‐based data envelopment analysis model to evaluate the impact of a forestry area on the annual and overall energy efficiency in 28 EU countries during 2009‐2016. We found that annual and overall energy efficiency improved slightly and the energy efficiency in each country also changed when the forestry area was used as the output variable. Although the total energy consumption has declined slowly, CO2 emissions have not declined effectively. Thus, it will be challenging for the EU to meet its target of cutting CO2 emissions by 30% by 2030. All countries should take additional measures, such as energetically increasing forestry areas, optimally distributing the labor force among industries, and gradually replacing fossil fuels with renewable energy to improve their energy efficiency.
An oasis soil reference collection for the identification and study of ancient cultivated soils in arid environments (Oasis of Masafi, United Arab Emirates)
Authors: Costa Sophie , Purdue Louise , Dufour Aurélie , Charbonnier Julien 
Published: February 2021

AbstractOasis soils result from the combined action of natural and anthropic processes, and thus constitute valuable systems for the understanding of human–environment trajectories over the millennia. The present research aims to develop the study of ancient oasis soils by identifying proxies to detect past agricultural practices. Ten reference pits were dug in Masafi, in both cultivated plots (irrigated plots with palm trees/fruit trees/cereals; manure/ashes/carbonates) and abandoned ones. Bulk sediment samples were analysed for geochemistry/pedo‐sedimentary studies: inductively coupled plasma‐optical emission spectrometry, loss on ignition, pH, electrical conductivity, grain size and magnetic susceptibility. This multiproxy approach enabled the creation of a soil typology of oasis agricultural modes. Irrigation and liming lead to salinisation, particularly in a B‐horizon. Manure creates a hortic horizon, enriched in P and Zn. Ashes can be detected with a simultaneous increase of magnetic and salinity values. Soils in plots with fruit trees/cereals are not distinguishable from those with palm monoculture. Weathering was identified on the basis of the enrichment in Al, Ti, K Na, Ni, Cr and Fe, whereas proxies of ancient practices seem to be preserved after 15 years of abandonment. As leaching processes appear to be limited to the first 50 cm, the durability of soil signatures depends on how they were buried.
Designing a state‐of‐the‐art monitoring system in challenging operating conditions
Authors: Radončić Nedim , Sattlegger Elisabeth , Lacourse‐Dontigny Xavier , Mitsch Thomas 
Published: February 2021

AbstractThe construction joint venture NouvLR is constructing the new light rail network in Montreal. One of the major challenges is the advance below the existing runways and taxiways of the Montreal‐Trudeau International airport and the construction of the subway station below the airport. The airport must remain under operation during the construction, and very tight requirements have been imposed regarding the tolerable surface settlements and availability of the monitoring data. The regulations regarding operations of the airport and possible presence of foreign objects in vicinity of its runways and taxiways represent an additional challenge, requiring usage of less straightforward monitoring concepts. The works for the installation of the monitoring equipment must be closely coordinated with airport operations and require a reliable schedule.The final geotechnical monitoring design has been performed in close cooperation with the contractor and in tight coordination with the airport authority. In order to allow more straightforward communication, 3D modelling and BIM‐methodology have been used to clearly represent the monitoring equipment, as well as the works required for their installation. The line‐of‐sight considerations in case of tachymeter measurements have been thus directly incorporated and dealt with. The monitoring design has to fulfil the aims of real‐time monitoring of the system behaviour during the construction and the long‐term monitoring of the newly built tunnel, demonstrating the compliance of the structure with the design. The paper is concluded by a summary of ”lessons learned“ regarding the issues of adverse accessibility and a challenging, high risk general environment.
Variant‐set association test for generalized linear mixed model
Authors: Zhan Xiang , Banerjee Kalins , Chen Jun 
Published: February 2021

AbstractAdvances in high‐throughput biotechnologies have culminated in a wide range of omics (such as genomics, epigenomics, transcriptomics, metabolomics, and metagenomics) studies, and increasing evidence in these studies indicates that the biological architecture of complex traits involves a large number of omics variants each with minor effects but collectively accounting for the full phenotypic variability. Thus, a major challenge in many “ome‐wide” association analyses is to achieve adequate statistical power to identify multiple variants of small effect sizes, which is notoriously difficult for studies with relatively small‐sample sizes. A small‐sample adjustment incorporated in the kernel machine regression framework was proposed to solve this for association studies under various settings. However, such an adjustment in the generalized linear mixed model (GLMM) framework, which accounts for both sample relatedness and non‐Gaussian outcomes, has not yet been attempted. In this study, we fill this gap by extending small‐sample adjustment in kernel machine association test to GLMM. We propose a new Variant‐Set Association Test (VSAT), a powerful and efficient analysis tool in GLMM, to examine the association between a set of omics variants and correlated phenotypes. The usefulness of VSAT is demonstrated using both numerical simulation studies and applications to data collected from multiple association studies. The software for implementing the proposed method in R is available at https://www.github.com/jchen1981/SSKAT.
Evaluation of literature searching tools for curation of mismatch repair gene variants in hereditary colon cancer
Authors: Kaushik Varun , Plazzer John‐Paul , Macrae Finlay 
Published: February 2021

AbstractPathogenic constitutional genomic variants in the mismatch repair (MMR) genes are the drivers of Lynch syndrome; optimal variant interpretation is required for the management of suspected and confirmed cases. The International Society for Hereditary Gastrointestinal Tumours (InSiGHT) provides expert classifications for MMR variants for the US National Human Genome Research Institute's (NHGRI) ClinGen initiative and interprets variants with discordant classifications and those of uncertain significance (VUSs). Given the onerous nature of extracting information related to variants, literature searching tools which harness artificial intelligence may aid in retrieving information to allow optimum variant classification. In this study, we described the nature of discordance in a sample of 80 variants from a list of variants requiring updating by InSiGHT for ClinGen by comparing their existing InSiGHT classifications with the various submissions for each variant on the US National Centre for Biotechnology Information's (NCBI) ClinVar database. To identify the potential value of a literature searching tool in extracting information related to classification, all variants were searched for using a traditional method (Google Scholar) and literature searching tool (Mastermind) independently. Descriptive statistics were used to compare: the number of articles before and after screening for relevance and the number of relevant articles unique to either method. Relevance was defined as containing the variant in question as well as data informing variant interpretation. A total of 916 articles were returned by both methods and Mastermind averaged four relevant articles per search compared to Google Scholar's three. Of relevant Mastermind articles, 193/308 (62.7%) were unique to it, compared to 87/202, (43.0%) for Google Scholar. For 24 variants, either or both methods found no information. All 6/80 (20%) variants with pathogenic or likely pathogenic InSiGHT classifications have newer VUS assertions on ClinVar. Our study demonstrated that for a sample of variants with varying discordant interpretations, Mastermind was able to return on average, a more relevant and unique literature search. Google Scholar was able to retrieve information that Mastermind did not, which supports a conclusion that Mastermind could play a complementary role in literature searching for classification. This work will aid InSiGHT in its role of classifying MMR variants.
Cost‐effectiveness analysis of public health interventions with impacts on health and criminal justice: An applied cross‐sectoral analysis of an alcohol misuse intervention
Authors: Ramponi Francesco , Walker Simon , Griffin Susan , Parrott Steve , Drummond Colin , Deluca Paolo , Coulton Simon , Kanaan Mona , Richardson Gerry 
Published: February 2021

AbstractCost‐effectiveness analyses of health care programs often focus on maximizing health and ignore nonhealth impacts. Assessing the cost‐effectiveness of public health interventions from a narrow health care perspective would likely underestimate their full impact, and potentially lead to inefficient decisions about funding. The aim of this study is to provide a practical application of a recently proposed framework for the economic evaluation of public health interventions, evaluating an intervention to reduce alcohol misuse in criminal offenders. This cross‐sectoral analysis distinguishes benefits and opportunity costs for different sectors, makes explicit the value judgments required to consider alternative perspectives, and can inform heterogeneous decision makers with different objectives in a transparent manner. Three interventions of increasing intensity are compared: client information leaflet, brief advice, and brief lifestyle counseling. Health outcomes are measured in quality‐adjusted life‐years and criminal justice outcomes in reconvictions. Costs considered include intervention costs, costs to the NHS and costs to the criminal justice system. The results are presented for four different perspectives: “narrow” health care perspective; criminal justice system perspective; “full” health care perspective; and joint “full” health and criminal justice perspective. Conclusions and recommendations differ according to the normative judgment on the appropriate perspective for the evaluation.
Factors associated with returning to work in head and neck cancer survivors in Singapore: A preliminary exploratory mixed‐methods approach study
Authors: Rangabashyam Mahalakshmi , Koh Shu Qing , Sultana Rehena , Tan Ngian Chye , Iyer N. Gopalakrishna , Soo Khee Chee , Fenwick Eva , Lamoureux Ecosse , Tan Hiang Khoon 
Published: February 2021

AbstractBackgroundLittle is known about return‐to‐work (RTW) among Asian head and neck cancer (HNC) survivors. We investigated the prevalence and factors associated with RTW among HNC patients with in Singapore.MethodsIn this cross‐sectional mixed‐methods study, 80 HNC patients, who had been working prior to diagnosis, completed questionnaires and 15 participated in qualitative interviews to explore perceived barriers and facilitators of RTW. Multivariate logistic regression was used to evaluate factors associated with not‐returning‐to‐work (NRTW) within 6 months of treatment completion.ResultsThirty‐five participants reported NRTW 43.8%. Multivariable analysis showed that patients with advanced stage (III‐IV) cancer (odds ratios [OR] = 4.51, 95% confidence intervals [CI]: 1.15–13.28, p = 0.006), multi‐modality treatment (OR = 4.62, 95% CI: 1.38–15.52, p = 0.013), and pink‐collar jobs (OR = 9.30, 95% CI: 1.70–50.83, p = 0.010) had higher odds of NRTW.ConclusionThe factors associated with employment after HNC treatment are complex. Identification of key modifiable factors may lead to improved RTW outcomes.