bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sustainable and Multifunctional Composites of Graphene‐Based Natural Jute Fibers
Authors: Karim Nazmul , Sarker Forkan , Afroj Shaila , Zhang Minglonghai , Potluri Prasad , Novoselov Kostya S. 
Published: January 2021

AbstractSmart and sustainable natural fiber‐based composites are of great interest due to their biodegradability, recyclability, and environmental benefits over synthetic fiber composites. In addition, the environmental impact of plastics and synthetic fibers are widespread and substantial, as they can stay in the environment for hundreds of years and contribute significantly to global carbon emissions. Natural fibers such as jute can potentially replace synthetic fibers to manufacture environmentally sustainable, biodegradable, and lightweight composites with improved properties, good thermal and acoustic insulation, and a smaller carbon footprint. However, natural jute fiber‐based composites suffer not only from poor mechanical properties but also being inherently electrically insulating, which limits their applications as multifunctional composites. Here multi‐functional and environmentally sustainable smart composites of graphene‐based natural jute fibers with excellent tensile and interfacial properties are reported. The reduced graphene oxide‐based natural jute fiber enhance the Young's modulus of the composites by ≈450%, and tensile strength by ≈183% after physical and chemical treatment. Such high‐performance composites can also be used as multifunctional smart composites, as demonstrated by effective electro‐magnetic interference shielding performance. This may lead to manufacturing of next generation smart, strong, and sustainable natural fiber composites for high performance engineering applications without conferring environmental problems.
Highly Selective Non‐Covalent On‐Chip Functionalization of Layered Materials
Authors: Tilmann Rita , Weiß Corinna , Cullen Conor P. , Peters Lisanne , Hartwig Oliver , Höltgen Laura , Stimpel‐Lindner Tanja , Knirsch Kathrin C. , McEvoy Niall , Hirsch Andreas , Duesberg Georg S. 
Published: January 2021

AbstractNon‐covalent functionalization of layered 2D materials is an essential tool to modify and fully harness their optical, electrical, and chemical properties. Herein, a facile method enabling the selective formation of self‐assembled monolayers (SAMs) of perylene bisimide (PBI) on transition metal dichalcogenides (TMDs), directly on the growth substrate (on‐chip), is presented. Laterally‐resolved infrared atomic force microscopy (AFM‐IR) and time‐of‐flight secondary ion mass spectrometry (TOF‐SIMS) are applied as superior techniques to gain detailed information beyond traditional surface analysis techniques, such as Raman spectroscopy and AFM, on TMD/PBI structures. The highly selective functionalization conducted in organic solution on MoS2 and WSe2 opens up a pathway to controllable, versatile functionalization of layered materials, which is highly sought after for its potential in passivation, tuning of properties and applications in optics, electronics, and (bio‐) sensing.
Recent Progress in 2D Catalysts for Photocatalytic and Electrocatalytic Artificial Nitrogen Reduction to Ammonia
Authors: Zhang Guoqiang , Li Yongliang , He Chuanxin , Ren Xiangzhong , Zhang Peixin , Mi Hongwei 
Published: January 2021

AbstractPhotocatalytic and electrocatalytic N2 reduction reactions (N2RR) for NH3 synthesis from abundant N2, H2O, solar energy, and renewable electricity is very attractive. 2D catalysts, including photocatalysts (TiO2, Bismuth‐based materials, layered double hydroxides (LDHs), carbon nitride, Fe@Graphene, MoS2 et al.) and electrocatalysts (metal, graphene, carbon, boron nitride (BN), boron carbide (B4C), black phosphorus (BP), boron, transition‐metal oxide/sulfide/nitride/phosphide), have emerged as promising candidates for N2RR due to their unique physical, chemical and electronic properties. Compared with their bulk counterparts, 2D catalysts usually possess the shortened carrier diffusion pathways, higher specific surface areas and conductivity, more vacancy‐type defects as well as exposed edge sites, which is beneficial to the separation of photogenerated carriers, and the adsorption and activation of N2 molecules. This review highlights the recent progress and developments in 2D catalysts for photocatalytic and electrocatalytic N2RR for the first time. First, the prospects for photocatalytic and electrocatalytic N2RR for NH3 synthesis, and the advantages of 2D catalysts are briefly introduced. Second, the application of 2D catalysts for N2 photoreduction and electroreduction is systematically summarized. Finally, the major challenges and future outlook of this burgeoning area are provided.
Interfacial Chemical Bond‐Modulated Z‐Scheme Charge Transfer for Efficient Photoelectrochemical Water Splitting
Authors: Xu Weiwei , Tian Wei , Meng Linxing , Cao Fengren , Li Liang 
Published: January 2021

AbstractThe Z‐scheme heterojunction has great potential in photoelectrochemical (PEC) water splitting due to its unique charge‐carrier migration pathway, superior carrier separation efficiency, and high redox capacity, but how to regulate the Z‐scheme charge transfer at the nanometric interface of heterostructures still remains a big challenge. Herein, InOCd bond is rationally introduced at the interface between ZnIn2S4 nanosheets and CdS nanoparticles through a facile cation exchange reaction, which successfully converts the previously reported type II band structure to a direct Z‐scheme heterojunction (ZnIn2S4/CdS) as confirmed by various characterizations. Density functional theory calculation reveals that the InOCd interfacial chemical bond significantly uplifts the Fermi level of ZnIn2S4 and CdS, inverts the interfacial band bending direction, thus resulting in the formation of Z‐scheme heterojunction. Moreover, an amorphous ZnO overlayer is deposited to eliminate the surface defects and accelerate the surface reaction kinetics. Benefiting from the superior charge separation efficiency and high redox ability originating from the Z‐scheme structure, the optimum ZnIn2S4/CdS/ZnO photoanode exhibits a dramatically enhanced PEC performance with low onset potential (−0.03 V vs reversible hydrogen electrode, VRHE) and large photocurrent of 3.48 mA cm−2 at 1.23 VRHE, which is about 21.75 times that of pristine ZnIn2S4.
Modulation of Morphological, Mechanical, and Photovoltaic Properties of Ternary Organic Photovoltaic Blends for Optimum Operation
Authors: Peng Zhongxiang , Jiang Kui , Qin Yunpeng , Li Miaomiao , Balar Nrup , O'Connor Brendan T. , Ade Harald , Ye Long , Geng Yanhou 
Published: January 2021

AbstractTernary solar cells comprising both fullerene and nonfullerene acceptors have shown a rapid increase in power conversion efficiency, which holds promise in commercial applications. Despite the rapid progress, there is still a lack of fundamental understanding of the relations between microstructure and (photovoltaic/mechanical) properties in these ternary blend systems. In this work, the dependence of molecular packing, phase separation, mechanical properties, and photovoltaic performance on acceptor composition of a recently certificated ternary system is thoroughly investigated by combined scattering and microscopy characterizations. It is demonstrated that incorporating a small amount (20% by weight) PC71BM to the PM6:N3 binary blend can afford the best device efficiency and the highest ductility simultaneously. This maximum performance is due to the optimized molecular order, orientational texture, and phase separation. Additionally, increasing the amount of PC71BM results in higher elastic modulus, as probed by two distinct methods. A more crucial observation is that the elastic modulus of ternary blends can be well captured by an extended Halpin–Tsai model. This finding is expected to enable the prediction of the elastic modulus of various kinds of ternary blends that are widely used in solar cells and other electronics.
Breaking through permeability–selectivity trade‐off of thin‐film composite membranes assisted with crown ethers
Authors: Shen Liang , Yi Ming , Japip Susilo , Han Chao , Tian Lian , Lau Cher Hon , Wang Yan 
Published: January 2021

AbstractIn this study, we deployed a modified interfacial polymerization process to incorporate multifunctional crown ethers (CEs) into thin‐film composite (TFC) polyamide membranes. CE additives acted as both the phase‐transfer catalyst and co‐solvent to facilitate the diffusion of amine monomers into the organic phase via interacting with amine monomers (form the host‐guest inclusion complex), and enhanced the free volume content of the selective layer, therefore facilitating water transport and inhibiting the diffusion of salt ions. Various characterization techniques were employed to elucidate the modification mechanism as a function of CE chemical and physical properties on the microstructure of resultant TFC membranes and consequently separation performances. Compared to TFC membranes produced from traditional interfacial polymerization method, CE‐modified membranes exhibited a 146% water flux enhancement and 59% lower reverse salt fluxes with a suitable draw solution. CE‐modified membranes also showed the improved antifouling behavior and chemical stability in various harsh conditions.
Phylogenetic signatures of ecological divergence and leapfrog adaptive radiation inEspeletia
Authors: Pouchon Charles , Lavergne Sébastien , Fernández Ángel , Alberti Adriana , Aubert Serge , Mavárez Jesús 
Published: January 2021

PREMISEEvents of accelerated species diversification represent one of Earth’s most celebrated evolutionary outcomes. Northern Andean high‐elevation ecosystems, or páramos, host some plant lineages that have experienced the fastest diversification rates, likely triggered by ecological opportunities created by mountain uplifts, local climate shifts, and key trait innovations. However, the mechanisms behind rapid speciation into the new adaptive zone provided by these opportunities have long remained unclear.METHODSWe address this issue by studying the Venezuelan clade ofEspeletia, a species‐rich group of páramo‐endemics showing a dazzling ecological and morphological diversity. We performed several comparative analyses to study both lineage and trait diversification, using an updated molecular phylogeny of this plant group.RESULTSWe showed that sets of either vegetative or reproductive traits have conjointly diversified inEspeletiaalong different vegetation belts, leading to adaptive syndromes. Diversification in vegetative traits occurred earlier than in reproductive ones. The rate of species and morphological diversification showed a tendency to slow down over time, probably due to diversity dependence. We also found that closely related species exhibit significantly more overlap in their geographic distributions than distantly related taxa, suggesting that most events of ecological divergence occurred at close geographic proximity within páramos.CONCLUSIONSThese results provide compelling support for a scenario of small‐scale ecological divergence along multiple ecological niche dimensions, possibly driven by competitive interactions between species, and acting sequentially over time in a leapfrog pattern.
SCYL1 disease and liver transplantation diagnosed by reanalysis of exome sequencing and deletion/duplication analysis of SCYL1
Authors: McNiven Vanda , Gattini Daniela , Siddiqui Iram , Pelletier Stephane , Brill Herbert , Avitzur Yaron , Mercimek‐Andrews Saadet 
Published: January 2021

AbstractSCYL1 disease results from biallelic pathogenic variants in SCYL1. We report two new patients with severe hepatic phenotype requiring liver transplantation. Patient charts reviewed. DNA samples and skin fibroblasts were utilized. Literature was reviewed. 13‐year‐old boy and 9‐year‐old girl siblings had acute liver insufficiency and underwent living related donor liver transplantation in infancy with no genetic diagnosis. Both had tremor, global developmental delay, and cognitive dysfunction during their follow‐up in the medical genetic clinic for diagnostic investigations after their liver transplantation. Exome sequencing identified a likely pathogenic variant (c.399delC; p.Asn133Lysfs*136) in SCYL1. Deletion/duplication analysis of SCYL1 identified deletions of exons 7–8 in Patient 1. Both variants were confirmed in Patient 2 and the diagnosis of SCYL1 disease was confirmed in both patients at the age of 13 and 9 years, respectively. SCYL1 protein was not expressed in both patients' fibroblast using western blot analysis. Sixteen patients with SCYL1 disease reported in the literature. Liver phenotype (n = 16), neurological phenotype (n = 13) and skeletal phenotype (n = 11) were present. Both siblings required liver transplantation in infancy and had variable phenotypes. Exome sequencing may miss the diagnosis and phenotyping of patients can help to diagnose patients.
Computational fluid dynamics simulation wall model predicting air temperature of the nasal passage for nonhuman primates
Authors: Mori Futoshi , Kaneko Akihisa , Matsuzawa Teruo , Nishimura Takeshi 
Published: January 2021

AbstractObjectivesNasal passages adjust the temperature of inhaled air to reach the required body temperature for the lungs. The nasal regions of primates including humans are believed to have experienced anatomical modifications that are adaptive to effective conditioning of the atmospheric air in the habitat for a given species. Measurements of the nasal temperature are required to understand the air‐conditioning performance for a given species. Unfortunately, repeated direct measurements within the nasal passage have been technically precluded in most nonhuman primates.Materials and methodsComputational fluid dynamics (CFD) simulation is a potential approach for examining the temperature profile in the nasal passage without any direct measurements. The CFD simulation model mainly comprises a computational model to simulate physiological mechanisms and a wall model to simulate the nasal passage's anatomical and physical properties. We used a computational model developed for humans and examined corrections for the developed wall model based on human properties for predicting its performance in Japanese macaques.ResultsThis study confirmed that the epithelium layer thickness of the wall model affects the accuracy of the predictions for macaques. A convenient correction of the thickness based on body mass allows us to simulate the actual air temperature profile in macaques' nasal passage.DiscussionThe CFD simulations of the wall model corrected with body mass can be applied to other nonhuman primates and mammals. This convenient corrective approach allows us to examine the functional contributions of a specific morphology to the air‐conditioning performance without any direct measurements to improve our understanding of primates' functional morphology and physical adaptations to the temperature environment in their habitat.
Synthese und Hydrierung schwerer Homologe eines Rhodium‐Carbins: [(Me3P)2(Ph3P)Rh≡E‐Ar*] (E=Sn, Pb)
Authors: Widemann Max , Eichele Klaus , Schubert Hartmut , Sindlinger Christian P. , Klenner Steffen , Pöttgen Rainer , Wesemann Lars 
Published: January 2021

AbstractDie Tetrylidine [(Me3P)2(Ph3P)Rh≡SnAr*] (10) und [(Me3P)2(Ph3P)Rh≡PbAr*] (11) wurden erstmalig über eine Dehydrierung der Dihydride [(Ph3P)2RhH2SnAr*] (3) und [(Ph3P)2RhH2PbAr*] (7) (Ar*=2,6‐Trip2C6H3, Trip=2,4,6‐Triisopropylphenyl) erhalten. Das Zinn‐Dihydrid 3 wurde entweder durch eine Reaktion des Dihydrostannats [Ar*SnH2]− mit [(Ph3P)3RhCl] oder durch Reaktion zwischen den Hydriden [(Ph3P)3RhH] und
[(Ar*SnH)2] synthetisiert. Das homologe Bleihydrid [(Ph3P)2RhH2PbAr*] (7) war analog aus [(Ph3P)3RhH] und
[(Ar*PbH)2] zugänglich. Die Eliminierung von Wasserstoff aus 3 und 7 mittels Styrol und anschließende Addition von Trimethylphosphan liefert die Tetrylidine 10 und 11. Das Stannylidin 10 wurde auch durch 119Sn‐Mössbauer‐Spektroskopie charakterisiert. Die Hydrierung dieser Dreifachbindungen mit überstöchiometrischen Mengen Wasserstoff bei Raumtemperatur liefert das cis‐Dihydrid [(Me3P)2(Ph3P)RhH2PbAr*] (12) und das Tetrahydrid [(Me3P)2(Ph3P)RhH2SnH2Ar*] (14). Komplex 14 eliminiert bei Raumtemperatur spontan ein Äquivalent Wasserstoff unter Bildung des Dihydrids [(Me3P)2(Ph3P)RhH2SnAr*] (13). Die Wasserstoffaddition und ‐eliminierung am Stannylen‐Zinnatom zwischen Komplex 13 und 14 ist bei Raumtemperatur reversibel.
Kupplung von Reformatsky‐Reagenzien und Arylchloriden ermöglicht durch Ylid‐funktionalisierte Phosphanliganden
Authors: Hu Zhiyong , Wei Xiao‐Jing , Handelmann Jens , Seitz Ann‐Katrin , Rodstein Ilja , Gessner Viktoria H. , Gooßen Lukas J. 
Published: January 2021

AbstractDie Kupplung von Arylchloriden mit Reformatsky‐Reagenzien ist eine erfolgversprechende, aber auch herausfordernde Strategie für die Synthese von α‐Arylestern. So schränken diverse Nebenreaktionen ihre Anwendungsbreite erheblich ein. Die Limitierungen wurden nun durch die Anpassung von Ylid‐funktionalisierten Phosphanen speziell auf die Anforderungen solcher Negishi‐Kupplungen überwunden. Durch Verwendung eines Cyclohexyl‐YPhos‐Liganden, der einen ortho‐Tolyl‐Substituenten am Ylid‐Grundgerüst trägt, wurden Rekordaktivitäten bei Palladium‐katalysierten Arylierungen von Organozink‐Reagenzien mit Arylelektrophilen erzielt. Dieser sehr elektronenreiche, sterisch anspruchsvolle Ligand ermöglicht die Verwendung von Arylchloriden in Kupplungen mit Reformatsky‐Reagenzien bei Raumtemperatur. Die Anwendungsbreite umfasst vielfältig funktionalisierte Arylessig‐ und Arylpropionsäurederivate. Arylbromide und ‐chloride können selektiv gegenüber Triflat‐Elektrophilen umgesetzt werden, was konsekutive Kupplungsstrategien ermöglicht.
Na3SO4H – ein erster Vertreter der Materialklasse der Sulfathydride
Authors: Mutschke Alexander , Bernard Guy M. , Bertmer Marko , Karttunen Antti J. , Ritter Clemens , Michaelis Vladimir K. , Kunkel Nathalie 
Published: January 2021

AbstractDie ersten Vertreter einer neuen Klasse gemischt‐anionischer Verbindungen, das Sulfathydrid Na3SO4H und das entsprechende Deuterid Na3SO4D, werden durch die Festkörperreaktion von NaH bzw. NaD mit trockenem Na2SO4 erhalten. Hierfür wird eine genaue Reaktionskontrolle benötigt, da zu harsche Reaktionsbedingungen zur Reduktion des Sulfats zum Sulfid führen. Eine kombinierte Auswertung von Röntgen‐ und Neutronendiffraktometrie zeigt, dass die Verbindung tetragonal mit der Raumgruppe P4/nmm und den Zellparametern a=7.0034(2) Å and c=4.8569(2) Å kristallisiert. Die alleinige Anwesenheit von Hydridionen und die Abwesenheit von Hydroxidionen wird durch Schwingungsspektroskopie im Vergleich zu Spektren, erhalten durch quantenchemische Berechnungen, bewiesen. 1H‐ und 23Na‐Festkörper‐NMR‐Spektren entsprechen der Struktur von Na3SO4H: ein 1H‐Signal bei 2.9 ppm sowie zwei Signale bei 15.0 und 6.2 ppm für zwei ungleiche 23Na‐Positionen. Zusätzlich stützen Elementaranalyse und quantenchemische Berechnungen die experimentellen Befunde.
Australian sperm whales from different whaling stocks belong to the same population
Authors: Day Joanna , Power David , Gales Rosemary , Bannister John , Piggott Maxine P. , Bilgmann Kerstin , Harcourt Robert , Beheregaray Luciano B. , Möller Luciana M. 
Published: January 2021

Abstract

Understanding the factors driving population structure in marine mammals is needed to evaluate the impacts of previous exploitation, current anthropogenic threats, conservation status, and success of population recovery efforts.
Sperm whales are characterized by a worldwide distribution, low genetic diversity, complex patterns of social and genetic structure that differ significantly within and between ocean basins, and a long history of being commercially whaled. In Australia, sperm whales from the (International Whaling Commission assigned) southern hemisphere ‘Division 5’ stock were very heavily exploited by whaling.
The present study assessed the potential effects of whaling on the genetic diversity of sperm whales in Australia and the population genetic structure of these whales within a global context. A combination of historical and contemporary sperm whale samples (n = 157) were analysed across six regions, from south‐eastern Australia (‘Division 6’ stock in the Pacific Ocean) to south‐western Australia (‘Division 5’ stock in the Indian Ocean).
Sperm whales sampled from the ‘Division 5’ and ‘Division 6’ stocks belong to the same population based on nuclear and mitochondrial DNA (mtDNA) analyses. Four novel sperm whale mtDNA haplotypes were identified in animals from Australian waters. Levels of genetic diversity were low in Australian sperm whales but were similar to those previously reported for populations in the Indian and Pacific Oceans.
Given the genetic distinctiveness of sperm whales in Australian waters from other regions in the Pacific and Indian Oceans, and the lack of recovery in population numbers, further scientific studies are needed to increase our understanding of population dynamics and the effectiveness of threat management strategies in this species.
The so‐called foramen singulare in cetacean periotics is actually the superior vestibular area
Authors: Ichishima Hiroto , Kawabe Soichiro , Sawamura Hiroshi 
Published: January 2021

AbstractIt is nearly 100 years ago that the “foramen singulare” was first identified in cetacean periotics. Since then, the “foramen singulare” has been recognized in periotics of many cetacean species, extant or extinct. Surprisingly, however, it has never been confirmed if the foramen singulare in cetacean periotics is really homologous to that in other mammals. It is known that in mammals including humans the posterior ampullary nerve, which innervates the posterior semicircular duct, passes through the foramen singulare. We use an X‐ray micro‐CT scan to examine endocasts of the bony labyrinth of the inner ear of cetacean periotics, showing that the osseous canal extending from the so‐called foramen singulare goes toward the anterior bony ampulla, meaning that the alleged foramen singulare in cetacean periotics is really the superior vestibular area, through which the utriculoampullary nerve enters. The transverse crest is quite significant to identify each quadrant of the fundus of the internal acoustic meatus, but in many cetacean species the transverse crest is poorly developed, almost imperceptible in some species, and this could have brought confusion into the interpretation over the superior vestibular area and the foramen singulare. The bony septum separating the cerebral aperture of the facial canal from the foramen singulare is not the transverse crest, but the perpendicular crest. The foramen singulare is not a distinct foramen separated from the inferior vestibular area. Instead, the true foramen singulare opens near the inferior vestibular area in the internal acoustic meatus in cetacean periotics.