bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gaze Control During Simulator Driving in Adolescents With and Without Attention Deficit Hyperactivity Disorder
Authors: Yuval-Greenberg Shlomit , Keren Anat , Hilo Rinat , Paz Adar , Ratzon Navah 
Published: April 2019

Abstract
Importance: Attention deficit hyperactivity disorder (ADHD) is associated with driving deficits. Visual standards for driving define minimum qualifications for safe driving, including acuity and field of vision, but they do not consider the ability to explore the environment efficiently by shifting the gaze, which is a critical element of safe driving.
Objective: To examine visual exploration during simulated driving in adolescents with and without ADHD.
Design: Adolescents with and without ADHD drove a driving simulator for approximately 10 min while their gaze was monitored. They then completed a battery of questionnaires.
Setting: University lab.
Participants: Participants with (n = 16) and without (n = 15) ADHD were included. Participants had a history of neurological disorders other than ADHD and normal or corrected-to-normal vision. Control participants reported not having a diagnosis of ADHD. Participants with ADHD had been previously diagnosed by a qualified professional.
Outcomes and Measures: We compared the following measures between ADHD and non-ADHD groups: dashboard dwell times, fixation variance, entropy, and fixation duration.
Results: Findings showed that participants with ADHD were more restricted in their patterns of exploration than control group participants. They spent considerably more time gazing at the dashboard and had longer periods of fixation with lower variability and randomness.
Conclusions and Relevance: The results support the hypothesis that adolescents with ADHD engage in less active exploration during simulated driving.
What This Article Adds: This study raises concerns regarding the driving competence of people with ADHD and opens up new directions for potential training programs that focus on exploratory gaze control.
Quantifying energy use efficiency via entropy production: a case study from longleaf pine ecosystems
Authors: Wiesner Susanne , Staudhammer Christina L. , Stoy Paul C. , Boring Lindsay R. , Starr Gregory 
Published: April 2019

Abstract. Ecosystems are open systems that exchange matter and energy with their
environment. They differ in their efficiency in doing so as a result of their
location on Earth, structure and disturbance, including anthropogenic legacy.
Entropy has been proposed to be an effective metric to describe these
differences as it relates energy use efficiencies of ecosystems to their
thermodynamic environment (i.e., temperature) but has rarely been studied to
understand how ecosystems with different disturbance legacies respond when
confronted with environmental variability. We studied three sites in a
longleaf pine ecosystem with varying levels of anthropogenic legacy and plant
functional diversity, all of which were exposed to extreme drought. We
quantified radiative (effrad), metabolic and overall entropy
changes – as well as changes in exported to imported entropy
(effflux) in response to drought disturbance and environmental
variability using 24 total years of eddy covariance data (8 years per site).
We show that structural and functional characteristics contribute to
differences in energy use efficiencies at the three study sites. Our results
demonstrate that ecosystem function during drought is modulated by decreased
absorbed solar energy and variation in the partitioning of energy and entropy
exports owing to differences in site enhanced vegetation index and/or soil
water content. Low effrad and metabolic entropy as well as slow
adjustment of effflux at the anthropogenically altered site
prolonged its recovery from drought by approximately 1 year. In contrast,
stands with greater plant functional diversity (i.e., the ones that included
both C3 and C4 species) adjusted their entropy exports when faced
with drought, which accelerated their recovery. Our study provides a path
forward for using entropy to determine ecosystem function across different
global ecosystems.
Surface Reconstruction, Oxidation Mechanism, and Stability of Cd3As2
Authors: Gao Junfeng , Cupolillo Anna , Nappini Silvia , Bondino Federica , Edla Raju , Fabio Vito , Sankar Raman , Zhang Yong‐Wei , Chiarello Gennaro , Politano Antonio 
Published: April 2019

AbstractCadmium arsenide (Cd3As2) has recently attracted considerable interest for the presence of 3D massless Dirac fermions with ultrahigh mobility and magnetoresistance. However, its surface properties are currently largely unexplored both theoretically and experimentally, due to the very large unit cell and the challenging growth of single‐crystal samples, respectively. Here, by combining ab initio calculations with surface‐science spectroscopic experiments, the presence of a surface reconstruction is unveiled in centimeter‐scale (112)‐oriented Cd3As2 single‐crystal foils produced by the self‐selecting vapor growth. Outermost Cd atoms descend into the As‐sublayer with a subsequent self‐passivation of the dangling bonds with As atoms, forming the triangle lattice previously imaged by scanning tunneling microscopy. Moreover, the oxidation mechanism of this reconstructed surface, dominated by the formation of AsOCd bonds, is revealed. Interestingly, it is found that the band structure of the reconstructed surface of Cd3As2 is quite robust against surface oxidation. Both computational and experimental findings point to a successful exploitation in technology of Cd3As2 single crystals.
Phase‐Responsive Fourier Nanotransducers for Probing 2D Materials and Functional Interfaces
Authors: Kabashin Andrei V. , Kravets Vasyl G. , Wu Fan , Imaizumi Shinji , Shipunova Victoria O. , Deyev Sergey M. , Grigorenko Alexander N. 
Published: April 2019

AbstractLight scattered by an object contains plethora information about the object which is distributed evenly among all possible Fourier components of light observed in the far‐field. There are some cases, however, where this information is accumulated in the light confined by the object and then encoded in just a few coherent optical beams. Here, Fourier nanotransducers based on 2D plasmonic metamaterials are introduced, which are capable of confining light in 2D plane contacting with a functional interface, gathering information about its properties, and then transmitting the information into discrete optical beams with amplified phase relations. It is shown that phase of light in such beams can be used for probing dynamic physical properties of 2D materials and performing bio/chemical sensing with unprecedented sensitivity. Using a Fourier transducer based on periodic gold nanostructures, ferroelectric response from a single atomic layer of MoS2 is resolved and studied for the first time, as well as the detection of important antibiotic chloramphenicol at fg mL−1 level is demonstrated, which several orders of magnitude better than reported in the literature. The implementation of phase‐responsive Fourier nanotransducers opens new avenues in exploration of emergent 2D structures and radical improvement of biosensing technology.
MoS2 Nanosheets Modified Surface Plasmon Resonance Sensors for Sensitivity Enhancement
Authors: Chen Yaofei , Hu Shiqi , Wang Hao , Zhi Yanyan , Luo Yunhan , Xiong Xin , Dong Jiangli , Jiang Zhupeng , Zhu Wenguo , Qiu Wentao , Lu Huihui , Guan Heyuan , Zhong Yongchun , Yu Jianhui , Zhang Jun , Chen Zhe 
Published: April 2019

AbstractBenefiting from the unique properties of MoS2 nanosheets including high electron mobility, quantum confinement, nanoscale thickness, etc., an effective way is proposed and demonstrated to enhance the refractive index sensitivity of surface plasmon resonance (SPR) sensors, which is strongly desired all the time in the field of biochemical sensing. The SPR sensors are modified by the physical deposition of MoS2 nanosheets, and the sensitivity dependence on the number of deposition cycles is investigated experimentally. It is found that the sensitivity first increases and then declines with the increase of the number of deposition cycles, meaning an optimal thickness thus existing. By depositing MoS2 nanosheets for two cycles, the maximal sensitivity of 2793.5 nm RIU−1 (RIU: refractive index unit) can be achieved, which shows an enhancement of 30.67% compared with the case without any modification. Taking into account the evanescent field intensity and the propagation length, the experimental results can be well analyzed and explained. Simulation results show that the increase of MoS2 overlayers can enhance the intensity of electrical field penetrating into the analyte solution while reducing the propagation length, which collectively results in the nonmonotonic change of the sensitivity depending on deposition cycles.
Copper(I)‐Catalyzed Regioselective Chan‐Lam N2‐Vinylation of 1,2,3‐Triazoles and Tetrazoles
Authors: Motornov Vladimir , Latyshev Gennadij V. , Kotovshchikov Yury N. , Lukashev Nikolay V. , Beletskaya Irina P. 
Published: April 2019

AbstractCopper‐catalyzed coupling of π‐deficient NH‐azoles with vinylboronic acids or vinyltrifluoroborate salt provides a direct route to N2‐vinyl‐1,2,3‐triazoles and N2‐vinyltetrazoles. The coupling reaction is efficiently catalyzed by (phen)Cu(PPh3)Br with low catalyst loading (5 mol%) under base‐free conditions. The method is applicable for vinylation of unsubstituted, monosubstituted, and disubstituted 1,2,3‐triazoles with various functionalities with high N2‐selectivity.magnified image
Peptide Tectonics: Encoded Structural Complementarity Dictates Programmable Self‐Assembly
Authors: Lou Shaofeng , Wang Xinmou , Yu Zhilin , Shi Linqi 
Published: April 2019

AbstractProgrammable self‐assembly of peptides into well‐defined nanostructures represents one promising approach for bioinspired and biomimetic synthesis of artificial complex systems and functional materials. Despite the progress made over the past two decades in the development of strategies for precise manipulation of the self‐assembly of peptides, there is a remarkable gap between current peptide assemblies and biological systems in terms of structural complexity and functions. Here, the concept of peptide tectonics for the creation of well‐defined nanostructures predominately driven by the complementary association at the interacting interfaces of tectons is introduced. Peptide tectons are defined as peptide building blocks exhibiting structural complementarity at the interacting interfaces of commensurate domains and undergoing programmable self‐assembly into defined supramolecular structures promoted by complementary interactions. Peptide tectons are categorized based on their conformational entropy and the underlying mechanism for the programmable self‐assembly of peptide tectons is highlighted focusing on the approaches for incorporating the structural complementarity within tectons. Peptide tectonics not only provides an alternative perspective to understand the self‐assembly of peptides, but also allows for precise manipulation of peptide interactions, thus leading to artificial systems with advanced complexity and functions and paves the way toward peptide‐related functional materials resembling natural systems.
Modulation of New Excitons in Transition Metal Dichalcogenide‐Perovskite Oxide System
Authors: Yin Xinmao , Yang Ming , Tang Chi Sin , Wang Qixing , Xu Lei , Wu Jing , Trevisanutto Paolo Emilio , Zeng Shengwei , Chin Xin Yu , Asmara Teguh Citra , Feng Yuan Ping , Ariando Ariando , Chhowalla Manish , Wang Shi Jie , Zhang Wenjing , Rusydi Andrivo , Wee Andrew T. S. 
Published: April 2019

AbstractThe exciton, a quasi‐particle that creates a bound state of an electron and a hole, is typically found in semiconductors. It has attracted major attention in the context of both fundamental science and practical applications. Transition metal dichalcogenides (TMDs) are a new class of 2D materials that include direct band‐gap semiconductors with strong spin–orbit coupling and many‐body interactions. Manipulating new excitons in semiconducting TMDs could generate a novel means of application in nanodevices. Here, the observation of high‐energy excitonic peaks in the monolayer‐MoS2 on a SrTiO3 heterointerface generated by a new complex mechanism is reported, based on a comprehensive study that comprises temperature‐dependent optical spectroscopies and first‐principles calculations. The appearance of these excitons is attributed to the change in many‐body interactions that occurs alongside the interfacial orbital hybridization and spin–orbit coupling brought about by the excitonic effect propagated from the substrate. This has further led to the formation of a Fermi‐surface feature at the interface. The results provide an atomic‐scale understanding of the heterointerface between monolayer‐TMDs and perovskite oxide and highlight the importance of spin–orbit–charge–lattice coupling on the intrinsic properties of atomic‐layer heterostructures, which open up a way to manipulate the excitonic effects in monolayer TMDs via an interfacial system.
Oxygen Release Degradation in Li‐Ion Battery Cathode Materials: Mechanisms and Mitigating Approaches
Authors: Sharifi‐Asl Soroosh , Lu Jun , Amine Khalil , Shahbazian‐Yassar Reza 
Published: April 2019

AbstractWidespread application of Li‐ion batteries (LIBs) in large‐scale transportation and grid storage systems requires highly stable and safe performance of the batteries in prolonged and diverse service conditions. Oxygen release from oxygen‐containing positive electrode materials is one of the major structural degradations resulting in rapid capacity/voltage fading of the battery and triggering the parasitic thermal runaway events. Herein, the authors summarize the recent progress in understanding the mechanisms of the oxygen release phenomena and correlative structural degradations observed in four major groups of cathode materials: layered, spinel, olivine, and Li‐rich cathodes. In addition, the engineering and materials design approaches that improve the structural integrity of the cathode materials and minimize the detrimental O2 evolution reaction are summarized. The authors believe that this review can guide researchers on developing mitigation strategies for the design of next‐generation oxygen‐containing cathode materials where the oxygen release is no longer a major degradation issue.
Lewis‐Säure‐dirigierte regioselektive Metallierungen an Pyridazin
Authors: Balkenhohl Moritz , Jangra Harish , Lenz Tobias , Ebeling Marian , Zipse Hendrik , Karaghiosoff Konstantin , Knochel Paul 
Published: April 2019

AbstractEin‐ oder zweizähnige Lewis‐Säuren leiten eine regioselektive Magnesierung oder Zinkierung an Pyridazin in Position C3 (ortho‐Produkt) oder C4 (meta‐Produkt) ein. Die Regioselektivität der Metallierung wurde mithilfe der berechneten pKs‐Werte von sowohl Pyridazin als auch den Pyridazin‐Lewis‐Säure‐Komplexen erklärt.
Advances in the Cathode Materials for Lithium Rechargeable Batteries
Authors: Lee Wontae , Muhammad Shoaib , Sergey Chernov , Lee Hayeon , Yoon Jaesang , Kang Yong‐Mook , Yoon Won‐Sub 
Published: April 2019

AbstractThe accelerating development of technologies requires a significant energy consumption, and consequently the demand for advanced energy storage devices is increasing at a high rate. In the last two decades, lithium‐ion batteries have been the most robust technology, supplying high energy and power density. Improving cathode materials is one of the ways to satisfy the need for even better batteries. Therefore developing new types of positive electrode materials by increasing cell voltage and capacity with stability is the best way towards the next‐generation Li rechargeable batteries. To achieve this goal, understanding the principles of the materials and recognizing the problems confronting the state‐of‐the‐art cathode materials are essential prerequisites. This Review presents various high‐energy cathode materials which can be used to build next‐generation lithium‐ion batteries. It includes nickel and lithium‐rich layered oxide materials, high voltage spinel oxides, polyanion, cation disordered rock‐salt oxides and conversion materials. Particular emphasis is given to the general reaction and degradation mechanisms during the operation as well as the main challenges and strategies to overcome the drawbacks of these materials.
Lewis Acid Directed Regioselective Metalations of Pyridazine
Authors: Balkenhohl Moritz , Jangra Harish , Lenz Tobias , Ebeling Marian , Zipse Hendrik , Karaghiosoff Konstantin , Knochel Paul 
Published: April 2019

AbstractMono‐ or bidentate boron Lewis acids trigger a regioselective magnesiation or zincation of pyridazine in position C3 (ortho product) or C4 (meta product). The regioselectivity of the metalation was rationalized with the help of calculated pKa values of both pyridazine and pyridazine/Lewis acid complexes.
Dissecting intratumoral myeloid cell plasticity by single cell RNA‐seq
Authors: Song Qianqian , Hawkins Gregory A. , Wudel Leonard , Chou Ping‐Chieh , Forbes Elizabeth , Pullikuth Ashok K. , Liu Liang , Jin Guangxu , Craddock Lou , Topaloglu Umit , Kucera Gregory , O’Neill Stacey , Levine Edward A. , Sun Peiqing , Watabe Kounosuke , Lu Yong , Alexander‐Miller Martha A. , Pasche Boris , Miller Lance D. , Zhang Wei 
Published: April 2019

AbstractTumor‐infiltrating myeloid cells are the most abundant leukocyte population within tumors. Molecular cues from the tumor microenvironment promote the differentiation of immature myeloid cells toward an immunosuppressive phenotype. However, the in situ dynamics of the transcriptional reprogramming underlying this process are poorly understood. Therefore, we applied single cell RNA‐seq (scRNA‐seq) to computationally investigate the cellular composition and transcriptional dynamics of tumor and adjacent normal tissues from 4 early‐stage non‐small cell lung cancer (NSCLC) patients. Our scRNA‐seq analyses identified 11 485 cells that varied in identity and gene expression traits between normal and tumor tissues. Among these, myeloid cell populations exhibited the most diverse changes between tumor and normal tissues, consistent with tumor‐mediated reprogramming. Through trajectory analysis, we identified a differentiation path from CD14+ monocytes to M2 macrophages (monocyte‐to‐M2). This differentiation path was reproducible across patients, accompanied by increased expression of genes (eg, MRC1/CD206, MSR1/CD204, PPARG, TREM2) with significantly enriched functions (Oxidative phosphorylation and P53 pathway) and decreased expression of genes (eg, CXCL2, IL1B) with significantly enriched functions (TNF‐α signaling via NF‐κB and inflammatory response). Our analysis further identified a co‐regulatory network implicating upstream transcription factors (JUN, NFKBIA) in monocyte‐to‐M2 differentiation, and activated ligand‐receptor interactions (eg, SFTPA1‐TLR2, ICAM1‐ITGAM) suggesting intratumoral mechanisms whereby epithelial cells stimulate monocyte‐to‐M2 differentiation. Overall, our study identified the prevalent monocyte‐to‐M2 differentiation in NSCLC, accompanied by an intricate transcriptional reprogramming mediated by specific transcriptional activators and intercellular crosstalk involving ligand‐receptor interactions.
Modeling Emulsification in Static Mixers: Equilibrium Correlations versus Population Balance Equations
Authors: Lebaz Noureddine , Sheibat-Othman Nida 
Published: April 2019

AbstractTwo different modeling approaches are adopted to model turbulent breakage during continuous emulsification in static mixers. First, a correlation is developed to predict the droplet mean diameter. Second, a population balance equation (PBE) is applied to track the droplet size distribution (DSD) using two different breakage kernels. The performances of the two approaches are assessed against a large number of experimental data. The correlation is fast to develop and is found to be capable of predicting the mean diameter with an acceptable accuracy while the PBE‐based model gives an excellent prediction of the entire DSD.
Self‐Assembly of Macrocyclic Boronic Esters Bearing Tellurophene Moieties and Their Guest‐Responsive Phosphorescence
Authors: Takahashi Kohei , Shimo Shunsuke , Hupf Emanuel , Ochiai Junichi , Braun Christina A. , Torres Delgado William , Xu Letian , He Gang , Rivard Eric , Iwasawa Nobuharu 
Published: April 2019

AbstractGuest‐controlled diastereoselective self‐assembly of a diboryltellurophene and a chiral tetrol bearing an indacene backbone was achieved to give either hetero‐ or homochiral macrocyclic boronic esters, selectively. The heterochiral isomer (hetero‐[2+2]Te) exhibited a higher inclusion ability for electron‐deficient aromatic guests, leading to effective quenching of phosphorescence from the diboryltellurophene moieties. The reported macrocycles collectively represent a promising arene sensing approach based on phosphorescence.
Synthesis of Host‐Guest Hematite Photoelectrodes for Solar Water Splitting
Authors: Francisco Filipe , Dias Paula , Ivanou Dzmitry , Santos Fátima , Azevedo João , Mendes Adélio 
Published: April 2019

AbstractHematite (α‐Fe2O3) is a promising semiconductor for photoelectrochemical (PEC) water splitting, due to its abundance, low‐cost and excellent stability. However, the efficiency of α‐Fe2O3 photoelectrodes has been limited by its low hole mobility and fast electron‐hole recombination. Host‐guest architectures have emerged as a suitable design, which involves the use of a nanostructured collector for high solar absorption while maintaining an ultrathin absorber layer for better charge transport. In this study, a thin mesoporous SiO2 host template coated with a conductive thin layer of TiO2 was optimized to support the α‐Fe2O3 film. The α‐Fe2O3 thin layer was deposited by spray pyrolysis and then coated with a FeNiOOH co‐catalyst. A photocurrent improvement of ca. 85% over planar α‐Fe2O3 thin film reference was registered demonstrating the potential of this host‐guest approach.
Syntheses and analytical characterizations of the research chemical 1‐[1‐(2‐fluorophenyl)‐2‐phenylethyl]pyrrolidine (fluorolintane) and five of its isomers
Authors: Dybek Michael , Wallach Jason , Kavanagh Pierce V. , Colestock Tristan , Filemban Nadine , Dowling Geraldine , Westphal Folker , Elliott Simon P. , Adejare Adeboye , Brandt Simon D. 
Published: April 2019

AbstractA number of substances based on the 1,2‐diarylethylamine template have been investigated for various potential clinical applications whereas others have been encountered as research chemicals sold for non‐medical use. Some of these substances have transpired to function as NMDA receptor antagonists that elicit dissociative effects in people who use these substances recreationally. 1‐[1‐(2‐Fluorophenyl)‐2‐phenylethyl]pyrrolidine (fluorolintane, 2‐F‐DPPy) has recently appeared as a research chemical, which users report has dissociative effects. One common difficulty encountered by stakeholders confronting the appearance of new psychoactive substances is the presence of positional isomers. In the case of fluorolintane, the presence of the fluorine substituent on either the phenyl and benzyl moieties of the 1,2‐diarylethylamine structure results in a total number of six possible racemic isomers, namely 2‐F‐, 3‐F‐, and 4‐F‐DPPy (phenyl ring substituents) and 2”‐F‐, 3”‐F‐, and 4”‐F‐DPPy (benzyl ring substituents). The present study reports the chemical syntheses and comprehensive analytical characterizations of the two sets of three positional isomers. These studies included various low‐ and high‐resolution mass spectrometry platforms, gas‐ and liquid chromatography (GC and LC), nuclear magnetic resonance (NMR) spectroscopy and GC‐condensed phase and attenuated total reflection infrared spectroscopy analyses. The differentiation between each set of three isomers was possible under a variety of experimental conditions including GC chemical ionization triple quadrupole tandem mass spectrometric analysis of the [M + H – HF]+ species. The latter MS method was particularly helpful as it revealed distinct formations of product ions for each of the six investigated substances.