bluuebunny/crossref_metadata_2025_split huggingface dataset:
Large Enhancement of the Single‐Molecular Conductance of a Molecular Wire through a Radical Substituent
Authors: Yasui Ryuto , Shimizu Daiki , Matsuda Kenji 
Published: March 2022

AbstractThe single‐molecular conductance between two π‐conjugated wires with and without a radical substituent has been compared. Specifically, methyl‐ and iminonitroxide‐substituted 4‐(biphenyl‐4‐yl)pyridine wires bound onto a porphyrin template were subjected to scanning tunneling microscopy (STM) apparent‐height measurement at the interface between highly oriented pyrolytic graphite (HOPG) and octan‐1‐oic acid. Statistical analysis of the STM images revealed that the radical‐substituted wire has 3.2±1.7‐fold higher conductance than the methyl‐substituted reference. Although density functional theory (DFT) calculation suggests that only 17 % of the SOMO is distributed on the wire moiety, the effect was significant. This study presents the potential of radical substituents to achieve high conductivity in molecular wires.
High‐Performance Heterogeneous Thermocatalysis Caused by Catalyst Wettability Regulation
Authors: Li Zhaohua , Hu Rui , Ye Shuai , Song Jun , Liu Liwei , Qu Junle , Song Weiguo , Cao Changyan 
Published: March 2022

AbstractCatalyst wettability regulation has emerged as an attractive approach for high catalytic performance for the past few years. By introducing appropriate wettability, the molecule diffusion of reactants and products can be enhanced, leading to high activity. Besides this, undesired molecules are isolated for high selectivity of target products and long‐term stability of catalyst. Herein, we summarize wettability‐induced high‐performance heterogeneous thermocatalysis in recent years, including hydrophilicity, hydrophobicity, hybrid hydrophilicity‐hydrophobicity, amphiphilicity, and superaerophilicity. Relevant reactions are further classified and described according to the reason for the performance improvement. It should be pointed out that studies of utilizing superaerophilicity to improve heterogeneous thermocatalytic performance have been included for the first time, so this is a comparatively comprehensive review in this field as yet.
Kinetics‐Based Approach to Developing Electrocatalytic Variants of Slow Oxidations: Application to Hydride Abstraction‐Initiated Cyclization Reactions
Authors: Lawrence Jean‐Marc I. A. , Floreancig Paul E. 
Published: March 2022

AbstractElectrochemical oxidant regeneration is challenging in reactions that have a slow redox step because the steady‐state concentration of the reduced oxidant is low, causing difficulties in maintaining sufficient current or preventing potential spikes. This work shows that applying an understanding of the relationship between intermediate cation stability, oxidant strength, overpotential, and concentration on reaction kinetics delivers a method for electrochemical oxoammonium ion regeneration in hydride abstraction‐initiated cyclization reactions, resulting in the development of an electrocatalytic variant of a process that has a high oxidation transition state free energy. This approach should be applicable to expanding the scope of electrocatalysis to include additional slow redox processes.
Exploring the Biosynthetic Potential of TsrM, a B12‐dependent Radical SAM Methyltransferase Catalyzing Non‐radical Reactions
Authors: Soualmia Feryel , Guillot Alain , Sabat Nazarii , Brewee Clémence , Kubiak Xavier , Haumann Michael , Guinchard Xavier , Benjdia Alhosna , Berteau Olivier 
Published: March 2022

AbstractB12‐dependent radical SAM enzymes are an emerging enzyme family with approximately 200,000 proteins. These enzymes have been shown to catalyze chemically challenging reactions such as methyl transfer to sp2‐ and sp3‐hybridized carbon atoms. However, to date we have little information regarding their complex mechanisms and their biosynthetic potential. Here we show, using X‐ray absorption spectroscopy, mutagenesis and synthetic probes that the vitamin B12‐dependent radical SAM enzyme TsrM catalyzes not only C‐ but also N‐methyl transfer reactions further expanding its synthetic versatility. We also demonstrate that TsrM has the unique ability to directly transfer a methyl group to the benzyl core of tryptophan, including the least reactive position C4. Collectively, our study supports that TsrM catalyzes non‐radical reactions and establishes the usefulness of radical SAM enzymes for novel biosynthetic schemes including serial alkylation reactions at particularly inert C−H bonds.
A comparative study of model approximation methods applied to economicMPC
Authors: Huang Zhiyinan , Liu Qinyao , Liu Jinfeng , Huang Biao 
Published: March 2022

AbstractEconomic model predictive control (EMPC) has attracted significant attention in recent years and is recognized as a promising advanced process control method for next‐generation smart manufacturing. It has the potential to not only improve economic performance but also significantly increase computational complexity. Model approximation has been a standard approach for reducing computational complexity in process control. In this work, we perform a study on three types of representative model approximation methods applied to EMPC, including model reduction based on available first‐principle models (e.g., proper orthogonal decomposition), system identification based on input–output data (e.g., subspace identification) that results in an explicitly expressed mathematical model, and neural networks based on input–output data. A representative algorithm from each model approximation method is considered. Two processes that are very different in dynamic nature and complexity were selected as benchmark processes for computational complexity and economic performance comparison, namely, an alkylation process and a wastewater treatment plant. The strengths and drawbacks of each method are summarized according to the simulation results, with future research direction regarding control‐oriented model approximation proposed at the end.
Association of early repolarization pattern and ventricular fibrillation in patients with vasospastic angina: A systematic review and meta‐analysis
Authors: Wang Guangqiang , Zhao Na , Zhong Shu , Wang Hua 
Published: March 2022

AbstractBackgroundAn early repolarization (ER) pattern is a risk factor for ventricular fibrillation (VF) in patients with vasospastic angina (VSA) caused by a coronary artery spasm. However, its detailed characteristics and prognostic value for VF remain unclear. Thus, we investigated the relationship between ER and VF in patients with VSA.HypothesisThe ER pattern is associated with VF in patients with VSA.MethodsIn this systematic review and meta‐analysis, we searched PubMed, Embase, Cochrane Library, and Web of Science databases for eligible studies published between January 2011 and December 2020; 8 studies with 1761 patients were included in the final analysis.ResultsThe ER pattern significantly predicted adverse cardiovascular events (ACEs) and VF (odds ratio [OR] = 5.13, 95% confidence interval [95% CI]: 3.16–8.35, p < .00001 and OR = 5.20, 95% CI: 3.05–8.87, p < .00001). The presence of ER in the inferior leads increased the VF risk (OR = 7.80, 95% CI: 4.04–15.05, p < .00001), regardless of the J‐point morphology or type of ST‐segment elevation in the ER pattern. A horizontal/descending ST‐segment elevation was significantly associated with VF in patients with or without an ER pattern during a coronary spasm (OR = 2.28, 95% CI: 1.07–4.88, p = .03). However, obstructive coronary artery disease was unrelated to the ER pattern (OR = 0.82, 95% CI: 0.27–2.53, p = .73).ConclusionsAn ER pattern is significantly associated with an increased risk of ACE in patients with VSA. An inferior ER pattern with horizontal/descending ST‐segment elevation confers the highest risk for VF during VSA onset. Nevertheless, the ER pattern is not associated with obstructive coronary artery disease.
Sustainable development—Direct and indirect effects between economic, social, and environmental dimensions in business practices
Authors: Andersson Svante , Svensson Göran , Molina‐Castillo Francisco‐Jose , Otero‐Neira Carmen , Lindgren John , Karlsson Niklas P. E. , Laurell Hélène 
Published: March 2022

AbstractThis study investigates the direct and indirect effects between economic, social and environmental dimensions of triple bottom line (TBL), based on a questionnaire survey and cross‐industrial sample in Sweden. The analyses apply partial least squares structural equation models. The study tests the direct and indirect effects between economic, social, and environmental dimensions of TBL and offers additional validity and reliability to establish the measurement and structural properties between the dimensions of TBL. The study extends earlier findings by explicitly discussing how the three TBL goals relate to each other and shows how the dynamic capability view can be a fruitful lens to investigate business sustainability. Some differences in sustainability business practices caused by differences in national cultures are identified. Sustainability reporting in a strong uncertainty avoidance (UA) country happens in accordance with regulations and laws. Conversely, for weak UA cultures, reporting and compliance with regulations are ways to build trust with stakeholders. That is, reporting is more transparent and widespread in weak UA countries. The study also provides a foundation to guide companies' actions of business sustainability. The model shows companies how to establish the order of actions undertaken across economic, social, and environmental dimensions. In addition, it clarifies that the economic dimension exerts an effect on the social and environmental dimensions. The model also grasps long‐term economic performance by including competitiveness and brand value, while earlier research mainly has focused on more short‐term measurements as return on assets.
Investment efficiency and environmental, social, and governance reporting: Perspective from corporate integration management
Authors: Harymawan Iman , Nasih Mohammad , Agustia Dian , Putra Fajar Kristanto Gautama , Djajadikerta Hadrian Geri 
Published: March 2022

AbstractThis article examines the relationship between investment efficiency (INVEFF) and environmental, social, and governance (ESG) reporting. We posit corporate integration management (CIM), which is reflected by the level of INVEFF, is a crucial driver for the better quality of ESG reporting. But there is a second possibility which ESG reporting is viewed as a different firm's burden, and therefore, it is a form of inefficiency. We test our hypothesis in Indonesia's unique setting of nonfinancial listed firms from 2010 to 2018. We find that INVEFF is confirmed as one of the critical drivers for enhancing ESG reporting quality. Our result is consistent during several robustness checks. Furthermore, we document that a positive relationship between INVEFF and ESG reporting is not incurred in all circumstances. Our study is one of few studies that focus on quantitative measurement of CIM and examines its relationship with ESG reporting.
Emcoating Architecture Construction via CO2/H2Coupling Treatment Doubles Reversible Capacity of NbO2/C Anode
Authors: Ji Qing , Chen Xiaoping , Cheng Ya‐Jun , Dong Qingyu , Shen Yanbin , Yang Zhaohui , Hu Binjie , Xia Yonggao 
Published: March 2022

AbstractAs a promising alternative as lithium‐ion anode, niobium dioxide appeals to researchers due to high theoretical capacity and good electron conductivity. However, rarely work about NbO2based high performance anode is reported. Here, NbO2nanoparticles emcoated in continuous carbon matrix is constructed through CO2/H2coupling treatment. CO2activation introduces unique carbon emcoating structure, which builds interconnected electron conductive network with low carbon content. Furthermore, crystallographic phase of NbO2is enhanced during H2treatment, which increases the lithium storage ability. Electrochemical performance of NbO2anodes is significantly improved based on the carbon emcoating structure. A high reversible capacity of 391 mAh g−1is retained after 350 cycles at 0.2 C. Additionally, at a current density of 1 A g−1, the reversible capacity reaches 139 mAh g−1. Compared with conventional NbO2/C nanohybrids, the lithium diffusion coefficient of carbon‐emcoated sample shows improvement of three orders of magnitude. Moreover, the in situ XRD investigation shows a reversible lithium insertion behaviour with a limited volume change.
Prediction of standard cell types and functional markers from textual descriptions of flow cytometry gating definitions using machine learning
Authors: Rodriguez‐Esteban Raul , Duarte José , Teixeira Priscila C. , Richard Fabien , Koltsova Svetlana , So W. Venus 
Published: March 2022

AbstractBackgroundA key step in clinical flow cytometry data analysis is gating, which involves the identification of cell populations. The process of gating produces a set of reportable results, which are typically described by gating definitions. The non‐standardized, non‐interpreted nature of gating definitions represents a hurdle for data interpretation and data sharing across and within organizations. Interpreting and standardizing gating definitions for subsequent analysis of gating results requires a curation effort from experts. Machine learning approaches have the potential to help in this process by predicting expert annotations associated with gating definitions.MethodsWe created a gold‐standard dataset by manually annotating thousands of gating definitions with cell type and functional marker annotations. We used this dataset to train and test a machine learning pipeline able to predict standard cell types and functional marker genes associated with gating definitions.ResultsThe machine learning pipeline predicted annotations with high accuracy for both cell types and functional marker genes. Accuracy was lower for gating definitions from assays belonging to laboratories from which limited or no prior data was available in the training. Manual error review ensured that resulting predicted annotations could be reused subsequently as additional gold‐standard training data.ConclusionsMachine learning methods are able to consistently predict annotations associated with gating definitions from flow cytometry assays. However, a hybrid automatic and manual annotation workflow would be recommended to achieve optimal results.
Energy efficient and effective node deployment for wireless sensor network
Authors: Kumar Gupta Sumit , Kumar Sachin , Tyagi Sudhanshu 
Published: March 2022

SummaryThe development of tiny sensor nodes (SNs) has incarnated numerous applications in the field of wireless sensor networks (WSN). These devices became much popular in multidisciplinary research area such as the internet of things (IoT). However, the use of these devices has been restricted due to some constraints like SN energy, data aggregation, quality of service (QoS), reliability, SN deployment, scalability, energy consumption, and many more. Among all these constraints, we focus on SN energy, SN deployment, and energy consumption of the network. Because if the consumption of SN energy is less, network lifetime automatically increases. So, we propose active–passive node topology on deployed SNs which enhance the network lifetime. With the help of the proposed mechanism, the lifetime and stability have increased by 60% and 3%, respectively, as compared with directed diffusion protocol in Experiment 1. In another experiment, the lifetime has increased by 67%, 64%, and 62% as compared with LEACH, NEAP, and DREEP, respectively, in homogeneous environment. The proposed scheme also performed significant improvement in heterogeneous environment. The simulation performance shows that the proposed protocol increases the network lifetime and stability of the network.
FishSizer: Software solution for efficiently measuring larval fish size
Authors: Rasmussen Jeppe Have , Moyano Marta , Fuiman Lee A. , Oomen Rebekah A. 
Published: March 2022

Abstract

Length and depth of fish larvae are part of the fundamental measurements in many marine ecology studies involving early fish life history. Until now, obtaining these measurements has required intensive manual labor and the risk of inter‐ and intra‐observer variability.

We developed an open‐source software solution to semi‐automate the measurement process and thereby reduce both time consumption and technical variability. Using contrast‐based edge detection, the software segments images of a fish larva into “larva” and “background.” Length and depth are extracted from the “larva” segmentation while taking curvature of the larva into consideration. The graphical user interface optimizes workflow and ease of usage, thereby reducing time consumption for both training and analysis. The software allows for visual verification of all measurements.

A comparison of measurement methods on a set of larva images showed that this software reduces measurement time by 66%–78% relative to commonly used software.

Using this software instead of the commonly used manual approach has the potential to save researchers from many hours of monotonous work. No adjustment was necessary for 89% of the images regarding length (70% for depth). Hence, the only workload on most images was the visual inspection. As the visual inspection and manual dimension extraction works in the same way as currently used software, we expect no loss in accuracy.
Effects of toxic Microcystis aeruginosa on the expression of Hox genes in Daphnia similoides sinensis
Authors: Xu Xiaoxue , Cao Yaqin , Qi Huiying , Deng Daogui , Zhang Ya‐Nan , Wu Jianxun , Peng Shuixiu , Zhou Zhongze 
Published: March 2022

AbstractLake eutrophication and cyanobacterial blooms have become worldwide environmental issues. Under cyanobacterial blooms (especially Microcystis), Daphnia spp. can transfer beneficial information to their offspring in order to improve adaptability. Hox genes are important regulatory factors of transcription in metazoans, and are involved in the growth and development of organisms. However, the mechanisms of Microcystis on the expression of Hox genes in Daphnia are unclear. In this study, the effects of Microcystis aeruginosa on Hox gene expression in the mothers and offspring (F1) of two Daphnia similoides sinensis clones were investigated using a mixed diet of M. aeruginosa and Scenedesmus obliquus. Compared with the 100%S food treatment, the survival rates at the end of the experiment of clone 1‐F1 in the food treatments containing M. aeruginosa were significantly lower, but it was significantly higher for clone 2‐F1 in the 20%M + 80%S food treatment. Moreover, the survival rates at the end of the experiment of clone 1‐F1 in the food treatments containing M. aeruginosa were significantly higher than those of their mother. Based on previous transcriptome data, 14 Hox genes of D. similoides sinensis were identified, including Abd‐B, CDX‐1, Dll, HOX‐1, HOX‐2, HOXA1, HOXA2, HOXB3, HOXB3‐2, HOXB7, HOXC4, HOXC7, HOXC8, and HOXD10. The expressions of Abd‐B, HOX‐2, HOXA1, HOXC7, and HOXD10 of clone 2‐mothers in the 40%M + 60%S food treatment were 2.9–22.5 times as high as in the 100%S food treatment, whereas the expressions of CDX‐1, HOX‐1, HOXB3, and HOXD10 of clone 1‐mothers were 4.8–13.1 times at same food level. The expression of HOXA2, HOXC7, HOXC8, and HOXD10 of clone 1‐F1 in the 40%M + 60%S food treatment was 8.2–21.1 times as high as in the 100%S food treatment. However, compared with the 100%S food treatment, the expressions of CDX‐1 in the mothers and F1 of clone 2 and HOXB7 in the mothers of clone 1 in the food treatments containing M. aeruginosa were significantly lower (p < .05). Our results suggest that the offspring (F1) produced by D. similoides sinensis mother pre‐exposed to toxic M. aeruginosa had stronger adaptability to M. aeruginosa than their mothers. Moreover, Hox gene expressions of D. similoides sinensis had obvious differences between clones under stress of toxic M. aeruginosa.
Breeding migrations by bighorn sheep males are driven by mating opportunities
Authors: Lassis Roxane , Festa‐Bianchet Marco , Pelletier Fanie 
Published: March 2022

AbstractIn some species where male mating success largely depends on intrasexual competition, males can adopt migratory or resident strategies to seek breeding opportunities. The resulting mixture of resident and migrant tactics within a population can have important ecological, genetic, and evolutionary consequences for metapopulations. Bighorn sheepOvis canadensismales establish a linear dominance hierarchy that influences their mating tactics. Some males perform breeding migrations during the pre‐rut and rut to seek mating opportunities, but little is known about these seasonal movements. We analyzed presence/absence data for 62 marked bighorn males during six mating seasons (20–32 males/year) in the Sheep River Provincial Park, Alberta, Canada, where hunting was not allowed. On average, about half of males left their natal population to rut elsewhere. The proportion of males leaving (yearly range 15%–69%) increased as the number of resident mature males increased and the populational sex ratio decreased, with fewer females during the pre‐rut. Among those leaving the park, 24% did so in October, while the trophy sheep hunting season was open. Detailed monitoring of breeding migrations in protected populations could inform management strategies to limit evolutionary impacts of hunting, which can alter size‐dependent mortality and create artificial pressures driving changes on heritable traits.
A pipeline for effectively developing highly polymorphic simple sequence repeats markers based on multi‐sample genomic data
Authors: Wang Hui , Gao Shenghan , Liu Yu , Wang Pengcheng , Zhang Zhengwang , Chen De 
Published: March 2022

AbstractSimple sequence repeats (SSRs) are widely used genetic markers in ecology, evolution, and conservation even in the genomics era, while a general limitation to their application is the difficulty of developing polymorphic SSR markers. Next‐generation sequencing (NGS) offers the opportunity for the rapid development of SSRs; however, previous studies developing SSRs using genomic data from only one individual need redundant experiments to test the polymorphisms of SSRs. In this study, we designed a pipeline for the rapid development of polymorphic SSR markers from multi‐sample genomic data. We used bioinformatic software to genotype multiple individuals using resequencing data, detected highly polymorphic SSRs prior to experimental validation, significantly improved the efficiency and reduced the experimental effort. The pipeline was successfully applied to a globally threatened species, the brown eared‐pheasant (Crossoptilon mantchuricum), which showed very low genomic diversity. The 20 newly developed SSR markers were highly polymorphic, the average number of alleles was much higher than the genomic average. We also evaluated the effect of the number of individuals and sequencing depth on the SSR mining results, and we found that 10 individuals and ~10X sequencing data were enough to obtain a sufficient number of polymorphic SSRs, even for species with low genetic diversity. Furthermore, the genome assembly of NGS data from the optimal number of individuals and sequencing depth can be used as an alternative reference genome if a high‐quality genome is not available. Our pipeline provided a paradigm for the application of NGS technology to mining and developing molecular markers for ecological and evolutionary studies.