bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synergistic Cascade Hydrogen Evolution Boosting via Integrating Surface Oxophilicity Modification with Carbon Layer Confinement
Authors: Bao Feixiang , Yang Zhilong , Yuan Yuliang , Yu Penglin , Zeng Gangming , Cheng Yi , Lu Yangfan , Zhang Jiawei , Huang Hongwen 
Published: October 2021

AbstractThe lack of highly efficient catalysts severely hinders large‐scale application of electrochemical hydrogen evolution reaction (HER) for hydrogen production from water. Herein, synergistic cascade hydrogen evolution boosting by combining the strategies of carbon layer confinement and surface oxophilicity modification is realized. The carbon layers confined ultrafine RuCr nanoparticles (RuCr@C) exhibit outstanding HER activity (j10 = 19 mV, turnover frequency = 4.25 H2 s‐1), surpassing the benchmark Pt/C and most of the reported HER catalysts. Combined experimental verifications and theoretical simulations reveal that surface adsorption modification and electronic structure regulation synergistically boosts the HER kinetics over the RuCr@C catalyst. The Volmer step is accelerated by stabilizing the final state of water dissociation (*H and *OH) through Cr doping, and the Heyrovsky step is promoted via carbon layers confinement. As such, this work highlights a synergistic cascade strategy to boost HER kinetics which is of fundamental importance to accelerate future advances in electrocatalysis.
A High‐Performance, Sensitive, Wearable Multifunctional Sensor Based on Rubber/CNT for Human Motion and Skin Temperature Detection
Authors: Lin Mengzhuan , Zheng Zhongjie , Yang Li , Luo Mingshan , Fu Lihua , Lin Baofeng , Xu Chuanhui 
Published: October 2021

AbstractRecently, flexible wearable electronic devices have attracted immense interest as an alternative for conventional rigid metallic conductors in personal healthcare monitoring, human motion detection, and sensory skins, owing to their intrinsic characteristics. However, the practical applications of most wearable sensors are generally limited by their poor stretchability and sensitivity, unsatisfactory strength, lower conductivity, and single sensory function. Here a hydrogen bond cross‐linked network based on carboxylic styrene butadiene rubber (XSBR) and hydrophilic sericin (SS) non‐covalently modified carbon nanotubes (CNTs) is rationally designed and then fabricated into multi‐functional sensors. The resultant versatile sensors are able to detect both weak and large deformations, which owns a low detection limit of 1% strain, high stretchability up to 217%, superior strength of 12.58 MPa, high sensitivity with a gauge factor up to 25.98, high conductivity of 0.071 S m−1, and lower percolation threshold of 0.504 wt%. Moreover, the prepared sensors also possess an impressively thermal response (0.01636 °C−1) and realize the application in the measurement of human body temperature. The multifunctional and scalable XSBR/SSCNT sensor with the integrated tracking capabilities of real‐time and in situ physiological signals, providing a promising route to develop wearable artificial intelligence in human health and sporting applications.
Large‐Scale Multiplexed Azopolymer Gratings with Engineered Diffraction Behavior
Authors: Oscurato Stefano L. , Reda Francesco , Salvatore Marcella , Borbone Fabio , Maddalena Pasqualino , Ambrosio Antonio 
Published: October 2021

AbstractThe diffraction of polychromatic light from periodic superficial structures is often responsible for the structural colors observed in Nature. Similarly, engineered microtextures fabricated on metallic or dielectric surfaces can be used to design diffracted optical patterns with desired shapes and colors. To this aim, advanced diffraction gratings with exceptional design and functionality are continuously proposed, and new fabrication methods follow to stay abreast with the improving design capabilities. Multiplexed surface reliefs, acting as complex gratings with tunable diffraction behavior, can be readily produced on films of azobenzene containing materials by exposing the surface to controlled sequences of holographic interference patterns. This work fully investigates, both theoretically and experimentally, the use of light‐induced surface relief on azopolymers for the realization of large‐scale multiplexed gratings with optimized diffraction performances. The reconfigurable diffraction gratings able to diffract polychromatic light in the same direction with controllable relative color intensities by tuning exposure parameters in a switchable two‐beam interference setup are designed and fabricated. The results can be generalized to more complex diffractive devices, usable in emerging display application areas.
3D‐Zipped Interface: In Situ Covalent‐Locking for High Performance of Anion Exchange Membrane Fuel Cells
Authors: Liang Xian , Ge Xiaolin , He Yubin , Xu Mai , Shehzad Muhammad A. , Sheng Fangmeng , Bance‐Soualhi Rachida , Zhang Jianjun , Yu Weisheng , Ge Zijuan , Wei Chengpeng , Song Wanjie , Peng Jinlan , Varcoe John R. , Wu Liang , Xu Tongwen 
Published: October 2021

AbstractPolymer electrolyte membrane fuel cells can generate high power using a potentially green fuel (H2) and zero emissions of greenhouse gas (CO2). However, significant mass transport resistances in the interface region of the membrane electrode assemblies (MEAs), between the membrane and the catalyst layers remains a barrier to achieving MEAs with high power densities and long‐term stabilities. Here, a 3D‐interfacial zipping concept is presented to overcome this challenge. Vinylbenzyl‐terminated bi‐cationic quaternary‐ammonium‐based polyelectrolyte is employed as both the anionomer in the anion‐exchange membrane (AEM) and catalyst layers. A quaternary‐ammonium‐containing covalently locked interface is formed by thermally induced inter‐crosslinking of the terminal vinyl groups. Ex situ evaluation of interfacial bonding strength and in situ durability tests demonstrate that this 3D‐zipped interface strategy prevents interfacial delamination without any sacrifice of fuel cell performance. A H2/O2 AEMFC test demonstration shows promisingly high power densities (1.5 W cm−2 at 70 °C with 100% RH and 0.2 MPa backpressure gas feeds), which can retain performances for at least 120 h at a usefully high current density of 0.6 A cm−2.
Divergent Aminocarbonylations of Alkynes Enabled by Photoredox/Nickel Dual Catalysis
Authors: Zhao Xian , Feng Xiaoliang , Chen Fan , Zhu Shengqing , Qing Feng‐Ling , Chu Lingling 
Published: October 2021

AbstractA metallaphotoredox‐catalyzed strategy for the selective and divergent aminocarbonylation of alkynes with amines and 1 atm of CO is reported. This synergistic protocol not only enables the Markovnikov‐selective hydroaminocarbonylation of alkynes to afford α,β‐unsaturated amides, but also facilitates a sequential four‐component hydroaminocarbonylation/radical alkylation in the presence of tertiary and secondary alkyl boronate esters, which allows for straightforward conversion of alkynes into corresponding amides. Preliminary mechanistic studies disclose that a photoinduced oxidative insertion of aniline and CO into nickel followed by a migratory insertion of (carbamoyl)nickel species could be involved.
Two mono‐ and dinuclear Cu (II) complexes derived from 3‐ethoxy salicylaldehyde: X‐ray structures, spectroscopic, electrochemical, antibacterial activities, Hirshfeld surfaces analyses, and time‐dependent density functional theory studies
Authors: Chai Lan‐Qin , Chai Yong‐Mei , Li Cheng‐Guo , Zhou Ling 
Published: October 2021

AbstractThe quinazoline‐type ligand 2‐(3‐ethoxy‐2‐hydroxyphenyl)‐4‐methyl‐1,2‐dihydroquinazolin 3‐oxide (HL1, H is the deprotonatable hydrogen) was synthesized. Two mono‐ and dinuclear Cu (II) complexes, [Cu(L2)2]·2CH3OH (1), and [Cu4(L2)4(NO3)2] (2) (HL2 = 1‐(2‐{[(E)‐(3‐ethoxy‐2‐hydroxybenzylidene]amino}phenyl)ethanone oxime), were obtained via complexation of HL1 with Cu (II) acetate monohydrate or Cu (II) nitrate trihydrate in methanol. HL1 and both complexes were characterized by elemental analyses and spectroscopic methods. The structures of complexes were confirmed by single‐crystal X‐ray crystallography and the ratio of ligand to metal in 1 was 2:1 whereas 2 was 1:1. In the crystal structures, hexa‐coordinated Cu (II) complex 1 was assembled into an infinite 1‐D, 2‐D network and 3‐D supramolecular framework. Complex 2 included four deprotonated (L2)− units, four coordinated Cu (II) and two coordinated nitrate anions, forming an infinite 2‐D layer and interesting butterfly‐shaped 3‐D supramolecular skeleton. Specifically, the Cu1 and Cu4 centers were four‐coordinated, while the Cu2 and Cu3 centers were penta‐coordinated in 2. Furthermore, electrochemical properties and antibacterial activities of both complexes were also investigated. In addition, the electron paramagnetic resonance (EPR) spectra of 1 and 2 were also studied. The optimal geometries, HOMO‐LUMO energies and molecular electrostatic potential diagrams of two complexes were calculated using density functional theory (DFT)/B3LYP, and specific electronic transitions in the UV–vis spectra of 1 and 2 were recorded by time‐dependent DFT (TD‐DFT) calculations. Additionally, the noncovalent interactions between both complexes were also confirmed by Hirshfeld surfaces.
Cranial anatomy of the Galápagos marine iguana Amblyrhynchus cristatus (Squamata: Iguanidae)
Authors: Paparella Ilaria , Caldwell Michael W. 
Published: October 2021

AbstractAmblyrhynchus cristatus, the marine iguana, is unique among the ~7,000 species of living limbed lizards as it has successfully evolved adaptations that allow it to live in both terrestrial and marine environments. This species is endemic to the Galápagos Archipelago and has evolved a specialized feeding behavior, consuming primarily the algae that grow on the rocky seafloor. The intriguing questions arising around the evolution of the marine iguana concerns the use of exaptations of terrestrial features for aquatic and specifically marine adaptations. However, the lack of fundamental information about its anatomy currently prevents us from understanding how it became adapted to such a peculiar lifestyle in comparison to all other iguanids. The goal of this study is to provide the first ever description of the skull, mandible, and hyoid of Amblyrhynchus. We examined several specimens of marine iguana, including skeletal, wet, and ct‐scanned material, and individuals at different ontogenetic stages. We also analyzed specimens of all other modern iguanid genera (Conolophus, Iguana, Ctenosaura, Cyclura, Dipsosaurus, Brachylophus, Sauromalus) in order to make comparisons between Amblyrhynchus and its closest relatives. We were able to identify several autapomorphic features that distinguish the marine iguana from all other iguanids. These unique morphologies are mostly associated with the modified configuration of the snout (nasal chamber), increased muscle attachments in the temporal‐postorbital region of the skull, and dentition. Since Amblyrhynchus is the only nonophidian squamate currently able to exploit the ocean at least for some vital functions (i.e., feeding), we used comparisons to fossil marine lizards (e.g., mosasaurids) to discuss some of these unique traits. The new cranial features described for Amblyrhynchus may represent a source of novel morphological characters for use in future phylogenetic analyses of iguanian (or squamate) relationships, which will then serve as the foundation for the exploration of evolutionary patterns and processes that led to the development of such unique adaptations.
Numeracy, numeric attention, and number use in judgment and choice
Authors: Tiede Kevin E. , Bjälkebring Pär , Peters Ellen 
Published: October 2021

AbstractPeople higher (vs. lower) in objective numeracy—the ability to use probabilistic and mathematical concepts—use numeric information more when making decisions. Specifically, they are more sensitive to numeric levels than the less numerate and use more numeric versus nonnumeric information. Greater attention to numbers may explain this effect, but little is known about objective numeracy's relation to numeric attention and possible subsequent effects on choice. Therefore, we investigated whether numeracy is related to greater attention to numbers and greater use of numbers in consumer judgments and choices. Crucially, we tested whether numeric attention mediated number use in choices. In three experiments, we provided participants with information about different consumer products (e.g., dishwasher). Participants received either numbers‐only or both numbers and verbal information. In Study 1 (N = 548), participants were asked to rate product attractiveness. In Studies 2a and 2b (N = 187 and 399), participants instead chose between product pairs. Attention was recorded using Mouselab. Greater objective numeracy was not related to sensitivity to numbers, but it was related to using numeric (instead of verbal) information more when making choices. The association of numeracy and attention was inconsistent across studies, although a meta‐analysis combining the studies revealed a weak but significant relation between numeracy and frequency of attending to numbers. This attention variable mediated the association of numeracy and number use in the more powered Study 2b (but not 2a). Our research highlights the potential of considering attention when studying numeracy and provides insights for designing decision aids.
A review of the syntheses of (thio)flavones, 4‐quinolones, (thio)aurones, and azaaurones from 2′‐substituted alkynones
Authors: In Lee Jae 
Published: October 2021

AbstractFlavones have been prepared by the 6‐endo cyclization of o‐alkynoylphenols, cyclization/deprotection of 2′‐protected alkynones, or carbonylative coupling of 2‐halophenols with arylacetylenes and subsequent cyclization. (Z)‐Aurones have been prepared by the 5‐exo cyclization of o‐alkynoylphenols or oxidation of (Z)‐benzylidenebenzofuran‐3‐ols with MnO2. Thioflavones have been prepared by deprotection/6‐endo cyclization of S‐protected alkynones or by the addition of sulfur to 2′‐halo(methoxy)alkynones and subsequent cyclization. Deprotection and 5‐exo cyclization of S‐benzylated alkynones using HCOOH afforded (Z)‐thioaurones. 2‐Phenyl‐4‐quinolones have been prepared by the 6‐endo cyclization of 2′‐aminoalkynones or by the addition of amines to 2′‐haloalkynones and subsequent cyclization. Furthermore, the treatment of 2′‐aminoalkynones with triphenylphosphine afforded (Z)‐azaaurones by 5‐exo cyclization.
Counsellors’ competency to counsel refugees: A constructivist grounded theory study
Authors: Atiyeh Shadin , Gray Geneva 
Published: October 2021

AbstractThe purpose of this constructivist grounded theory study was to explore how counsellors perceive their preparedness to counsel refugee clients and how they conceptualise multicultural competence when doing so. Although the findings point to the complexity and challenges involved when counselling refugees, all participants emphasised the ethical imperative to do so. Therefore, counsellors are able and obligated to contribute to the health and wellness of refugees through providing integrated and holistic approaches.
Synthesis and Evaluation of a Stable Isostere of Malonyllysine**
Authors: Jing Yihang , Bergholtz Sarah E. , Omole Anthony , Kulkarni Rhushi A. , Zengeya Thomas T. , Yoo Euna , Meier Jordan L. 
Published: October 2021

AbstractLysine malonylation is a recently characterized post‐translational modification involved in the regulation of energy metabolism and gene expression. One unique feature of this post‐translational modification is its potential susceptibility to decarboxylation, which poses possible challenges to its study. As a step towards addressing these challenges, we report the synthesis and evaluation of a stable isostere of malonyllysine. First, we find that synthetic substitution of the malonyl group with a tetrazole isostere results in amino acid's resistant to thermal decarboxylation. Next, we demonstrate that protected variants of this amino acid are readily incorporated into peptides. Finally, we show that tetrazole isosteres of malonyllysine can be recognized by anti‐malonyllysine antibodies and histone deacylases, validating their ability to mimic features of the endogenous lysine modification. Overall, this study establishes a new chemical strategy for stably mimicking a metabolite‐derived post‐translational modification, providing a foothold for tool development and functional analyses.
Synergy of Iron Doping and Cyano Groups for Enhanced Photocatalytic Hydrogen Production over C3N4
Authors: Xiao Jie , Zhang Jing‐Wen , Zhang Jiaxiang , Pan Lun , Shi Chengxiang , Zhang Xiangwen , Zou Ji‐Jun 
Published: October 2021

AbstractImproving the insufficient carrier separation dynamics is still of significance in carbon nitride (C3N4) research. Extensive research has been devoted to improving the carrier separation efficiency through a single strategy, while ignoring the synergistic enhancement effect produced by coupling two or more conventional strategies. Herein, we reported the fabrication of cyano group‐containing Fe‐doped C3N4porous materials via direct co‐calcination of iron acetylacetonate and melamine for synergistically improving the photocatalytic performance. Iron acetylacetonate can promote the generation of cyano groups and form Fe‐doping in C3N4, thereby increasing the visible‐light absorption and reactive sites. Further, the internal donor‐acceptor system formed by cyano groups and Fe‐doped sites promoted charge carrier separation and inhibited the radiation recombination of e−‐h+pairs. The optimized photocatalytic activity of Fe−CN‐2 sample was 4.5 times of bulk C3N4(BCN).
Floor and ceiling effects in the EORTC QLQ‐C30 Physical Functioning subscale among patients with advanced or metastatic breast cancer
Authors: Murugappan Meena N. , King‐Kallimanis Bellinda L. , Mangir Christina , Howie Lynn , Bhatnagar Vishal , Beaver Julia A. , Basch Ethan M. , Henson Sydney R. , Kluetz Paul G. 
Published: October 2021

BackgroundThe European Organization for Research and Treatment of Cancer (EORTC) Quality of Life Questionnaire Core 30 Physical Functioning subscale is a widely used patient‐reported outcome measure that quantifies cancer patients' physical functioning. Strong floor/ceiling effects can affect a scale's sensitivity to change. The aim of this study was to characterize floor/ceiling effects of the physical functioning domain in patients with advanced/metastatic breast cancer enrolled in commercial clinical trials and a community‐based trial.MethodsThe clinical trial cohort comprised patients from 5 registrational trials submitted to the Food and Drug Administration for review (2010‐2017). The community cohort comprised a subgroup of patients from the Alliance Patient Reported Outcomes to Enhance Cancer Treatment (PRO‐TECT) trial. The distribution of patient responses to Physical Functioning items and the summed score were assessed at the baseline and 3‐month follow‐up for both cohorts. Descriptive statistics were used to determine floor/ceiling effects at the item and scale levels.ResultsThe clinical trial cohort and the community cohort consisted of 2407 and 178 patients, respectively. Twenty‐four percent or more of the respondents reported “not at all” for having trouble/needing help with each Physical Functioning item across both cohorts and measurement time points. Fourteen to twenty percent of the patients scored perfectly (100 of 100) on the Physical Functioning subscale summary measure (where higher scores indicated better physical functioning) across both cohorts and time points.ConclusionsMinor floor effects and notable ceiling effects were found at the item and scale levels of the Physical Functioning subscale, regardless of cohort, and this creates some uncertainty about its ability to detect changes in physical functioning among high‐functioning patients. Investigators may consider adding additional high‐functioning items from the EORTC's item library to more accurately describe the impact of anticancer treatment on patients' physical functioning.
MaLeFICE: Machine learning support for continuous performance improvement in computational engineering
Authors: Sonmezer Hasan Berk , Muhtaroglu Nitel , Ari Ismail , Gokcin Deniz 
Published: October 2021

SummaryComputer aided engineering (CAE) practices improved drastically within the last decade due to ease of access to computing resources and open‐source software. However, increasing complexity of hardware and software settings and the scarcity of multiskilled personnel rendered the practice inefficient and infeasible again. In this article, we present a method for continuous performance improvement in computational engineering that combines online performance profiling with machine learning (ML). To test the viability of this method, we provide a detailed analysis for solution time estimation of finite element analysis (FEA) jobs based on multidimensional models. These models combine numerous matrix features (matrix size, density, bandwidth, etc.), solver features (direct‐iterative, preconditioning, tolerance), and hardware features (core count, virtual–physical). We repeat our analysis over different machines as well as docker containers to demonstrate applicability over different platforms. Next, we train supervised and unsupervised ML algorithms over commonly used, realistic FEA benchmarks and compare accuracy of different models. Finally, we design two new ML‐based online batch schedulers called shortest predicted time first (SPTF) and shortest cluster time first (SCTF), which are comparable in performance to the optimal, but offline shortest job first (SJF) scheduler. We find that ML‐based profiling and scheduling can reduce the average turnaround times by 2–5 over other alternatives.
Downregulation of microRNA‐6125 promotes colorectal cancer growth through YTHDF2‐dependent recognition of N6‐methyladenosine‐modified GSK3β
Authors: Li Hongyan , Zhang Ning , Jiao Xueli , Wang Cong , Sun Wenhao , He Yanyu , Ren Ganglin , Huang Shirui , Li Mengjie , Chang Yixin , Jin Zihui , Xie Qipeng , Zhang Xiaodong , Huang Haishan , Jin Honglei 
Published: October 2021

AbstractBackgroundMicroRNAs (miRNAs), the key regulator of gene expression, and N6‐methyladenosine (m6A) RNA modification play a significant role in tumour progression. However, regulation of m6A‐modified mRNAs by miRNAs in colorectal cancer (CRC), and its effect on progression of CRC, remains to be investigated.MethodsExpression of miR‐6125 and YTH Domain‐Containing Family Protein 2 (YTHDF2) was detected by western blotting and immunohistochemistry. The effects of miR‐6125 and YTHDF2 on proliferative capacity of CRC cells were analysed using soft agar, ATP, CCK8 and EdU assays, and in animal experiments.ResultsMiR‐6125 expression was downregulated markedly in CRC, and expression correlated negatively with tumour size and prognosis. MiR‐6125 targeted the 3′‐UTR of YTHDF2 and downregulated the YTHDF2 protein, thereby increasing the stability of m6A‐modified glycogen synthase kinase 3 beta (GSK3β) mRNA. Increased GSK3β protein levels inhibited the expression of Wnt/β‐catenin/Cyclin D1 pathway‐related proteins, leading to G0‐G1 phase arrest and ultimately inhibiting the proliferation of CRC cells.ConclusionsMiR‐6125 regulates YTHDF2 and thus plays a critical role in regulating the Wnt/β‐catenin pathway, thereby affecting the growth of CRC. Collectively, these results suggest that miR‐6125 and YTHDF2 are potential targets for treatment of CRC.