bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cu/LaFeO3 as an efficient and stable catalyst for CO2 reduction: Exploring synergistic effect between Cu and LaFeO3
Authors: Zhang Jingpeng , Wang Yaning , Tian Jiaming , Yan Binhang 
Published: February 2022

AbstractCu‐based catalysts, which are regarded as the most promising catalysts for CO2 conversion, suffer dramatic deactivation at high temperatures. In this work, LaFeO3, a typical perovskite‐type oxide, is employed to disperse and stabilize Cu particles for the reverse water gas shift reaction. Compared to traditional Cu‐based catalysts, Cu/LaFeO3 exhibits a higher conversion with 100% CO selectivity and better stability at 873 K. Structural and spectroscopic characterization including N2O chemisorption, high‐resolution transmission electron microscopy, in situ x‐ray diffraction, and x‐ray absorption fine structure show that metallic Cu is well dispersed on LaFeO3, forming more Cu‐LaFeO3 interface. CO2 temperature‐programmed surface reaction (CO2‐TPSR), two‐step transient surface reaction (two‐step TSR), and transient in situ diffuse reflectance infrared Fourier transformed spectroscopy experiments demonstrate that the superior activity is attributed to the synergistic effect between the highly dispersed Cu particles for H2 dissociation and the abundant oxygen vacancies in LaFeO3 support for CO2 activation. The synergistic effect between metal and perovskite‐type oxide increases metal‐support interfaces and enhances CO2 activation, leading to a potential application in a variety of chemical reactions.
Exploring Unconventional SAM Analogues To Build Cell‐Potent Bisubstrate Inhibitors for Nicotinamide N‐Methyltransferase
Authors: Iyamu Iredia D. , Vilseck Jonah Z. , Yadav Ravi , Noinaj Nicholas , Huang Rong 
Published: February 2022

AbstractNicotinamide N‐methyltransferase (NNMT) methylates nicotinamide and has been associated with various diseases. Herein, we report the first cell‐potent NNMT bisubstrate inhibitor II399, demonstrating a Ki of 5.9 nM in a biochemical assay and a cellular IC50 value of 1.9 μM. The inhibition mechanism and cocrystal structure confirmed II399 engages both the substrate and cofactor binding pockets. Computational modeling and binding data reveal a balancing act between enthalpic and entropic components that lead to II399′s low nM binding affinity. Notably, II399 is 1 000‐fold more selective for NNMT than closely related methyltransferases. We expect that II399 would serve as a valuable probe to elucidate NNMT biology. Furthermore, this strategy provides the first case of introducing unconventional SAM mimics, which can be adopted to develop cell‐potent inhibitors for other SAM‐dependent methyltransferases.
In MOF eingebettete Enzyme für die kontinuierliche Durchflusskatalyse in wässrigen und organischen Lösungsmitteln
Authors: Greifenstein Raphael , Ballweg Tim , Hashem Tawheed , Gottwald Eric , Achauer David , Kirschhöfer Frank , Nusser Michael , Brenner‐Weiß Gerald , Sedghamiz Elaheh , Wenzel Wolfgang , Mittmann Esther , Rabe Kersten S. , Niemeyer Christof M. , Franzreb Matthias , Wöll Christof 
Published: February 2022

AbstractUm das Potenzial von Enzymen in der zellfreien Biokatalyse voll auszuschöpfen, ist eine Stabilisierung der katalytisch aktiven Proteine und deren Integration in effiziente Reaktorsysteme erforderlich. Obwohl in den letzten Jahren erste Schritte zur Immobilisierung solcher Biomoleküle in metallorganischen Gerüsten (MOFs) unternommen wurden, waren diese Demonstrationen auf Batch‐Experimente und wässrige Bedingungen beschränkt. Hier demonstrieren wir ein kontinuierliches Enzymreaktorsystem auf MOF‐Basis mit hoher Produktivität und Stabilität, das auch für organische Lösungsmittel geeignet ist. Unter wässrigen Bedingungen wurde die Stabilität des Enzyms um das 30‐fache erhöht, und die Raum‐Zeit‐Ausbeute übertraf die mit anderen Enzym‐Immobilisierungsstrategien erzielten Werte um eine Größenordnung. Es ist herauszuheben, dass die hier gezeigte Infiltration der Proteine in das MOF keine zusätzliche Funktionalisierung erfordert, was eine zeit‐ und kosteneffiziente Herstellung der Biokatalysatoren mit markierungsfreien Enzymen ermöglicht.
Ecomorphology of the tarsometatarsus of waterfowl (Anseriformes) based on geometric morphometrics and its application to fossils
Authors: De Mendoza Ricardo Santiago , Gómez Raúl Orencio 
Published: February 2022

AbstractAnseriformes is a diverse group of birds that comprises screamers, the Magpie Goose, and swans ducks and geese, with a relatively rich fossil record. Waterfowl live in close relation to water bodies, but show a diversity of locomotory habits, being typically categorized as walkers, dabblers, and divers. Owing to its functional significance and high preservation potential, the tarsometatarsus has been considered to be a “key” element upon which to base ecomorphological inferences in fossil waterfowl. For instance, based on features of the tarsometatarsus the Miocene flightless duck Cayaoa bruneti and the Oligocene‐Miocene large waterfowl Paranyroca have been inferred as divers. Herein, we use a geometric morphometric approach and comparative methods to assess the phylogenetic and ecomorphological signals in the shape and size of waterfowl tarsometatarsi in relation to their locomotory habits. We also apply phylogenetic flexible discriminant analysis (pFDA) to test the inferred diving habits in the extinct waterfowl Cayaoa and Paranyroca. Extant waterfowl species are largely distributed according to their locomotory habit along the main axis of variation in the shape space, a pattern mirrored by the phylogenetic generalized least squares model, which shows that a third of the shape variation is significantly explained by the habit. The pFDA reclassifies correctly almost all extant species and classified with high posterior probabilities the fossil Cayaoa and Paranyroca as a diver and as a dabbler, respectively. Our quantitative multivariate approach confirms the tarsometatarsus as a useful source of data upon which reliably assesses locomotory habits of fossil waterfowl.
Economic optimization for a dual‐feedstock lignocellulosic‐based sustainable biofuel supply chain considering greenhouse gas emission and soil carbon stock
Authors: Zhang Bingquan , Guo Changqiang , Lin Tao , Faaij André P. C. 
Published: February 2022

AbstractEnvironmental factors, including greenhouse gas (GHG) emissions and soil organic carbon (SOC), should be considered when building a sustainable biofuel supply chain. This work developed a three‐step optimization approach integrating a geographical information system‐based mixed‐integer linear programming model to economically optimize the biofuel supply chain on the premise of meeting certain GHG emission criteria. The biomass supply grid cell was considered first, based on a maximum level of GHG emissions, prior to economic optimization. The optimization simultaneously considered dual‐feedstock sourcing, selection between distributed and centralized configurations, and the impact of maintaining SOC balance in agricultural soil on biomass availability. The applicability of the modeling approach was demonstrated through a case study that optimized a dual‐feedstock renewable jet fuel supply chain via a gasification‐Fischer–Tropsch (gasification‐FT) conversion pathway in 2050 under three biomass availability scenarios. The case study results show that the differences in procurement costs and GHG emissions between energy crops and agricultural residues have a large impact on the layout of the supply chain. The supply‐chain configuration tends to be more centralized with large‐scale biorefineries when a supply region has an intensive and centralized distribution of biomass resources. The cost‐supply curves demonstrated the technical potential of biofuels that could be obtained at a certain level of cost. Additionally, sensitivity analysis shows that the GHG emission credit from producing extra electricity during the gasification‐FT process will be significantly reduced with a rising share of renewable electricity generation in the future. © 2022 The Authors. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
Sometimes a punch is needed to get started: A case of complete aortic occlusion with complete heart block rescued with percussion pacing
Authors: Abd Ur Rehman Muhammad , Kassem Ahmed , Akram Hina , Almughalles Salah A. , Ahmad Shabbir 
Published: February 2022

AbstractComplete heart block (CHB) is defined as the complete absence of atrioventricular conduction. Electrical pacing is the treatment of choice. We present a case of CHB which is interesting not only due to being a diagnostic dilemma in the emergency department but also for its management and the final diagnosis.
Two‐Dimensional MXene Supported Bismuth for Efficient Electrocatalytic Nitrogen Reduction
Authors: Liu Anmin , Liang Xingyou , Zhu Haiding , Ren Xuefeng , Gao Liguo , Gao Mengfan , Yang Yanan , Li Guangxin , Ma Tingli 
Published: February 2022

AbstractElectrochemical nitrogen reduction reaction (NRR), as a green and sustainable ammonia (NH3) synthesis process, is considered to be the most promising alternative to the traditional Haber‐Bosch method for NH3 synthesis. However, this process requires a highly active electrocatalyst to overcome the problems of low NRR activity and selectivity. Herein, we deposited metallic bismuth nanoparticles on two‐dimensional Ti3C2 MXene nanosheets by a simple liquid phase reduction method to synthesize Bi@Ti3C2 nanocomposites. This composite material is a promising electrocatalyst for environmental electrocatalytic N2 fixation to NH3. Unexpectedly, the Bi@Ti3C2 composite obtains an excellent NH3 yield and Faraday efficiency as high as 28.3 μg h−1 cm−2 and 27.2 % at −0.4 V versus reversible hydrogen electrode (RHE) in 0.1 M KOH. The high NRR activity can be attributed to the unique N‐philic and H‐phobic characteristics of Bi atoms and the outstanding electronic conductivity of MXene. Moreover, the Bi@Ti3C2 composite catalyst also exhibited good cycling stability and durability of up to 24 h. This work highlights the potential importance of material design and will also expand the research and exploration of high‐efficiency NRR electrocatalysts.
Tandem Friedel‐Crafts‐Alkylation‐Enantioselective‐Protonation by Artificial Enzyme Iminium Catalysis
Authors: Leveson‐Gower Reuben B. , de Boer Ruben M. , Roelfes Gerard 
Published: February 2022

AbstractThe incorporation of organocatalysts into protein scaffolds holds the promise of overcoming some of the limitations of this powerful catalytic approach. Previously, we showed that incorporation of the non‐canonical amino acid para‐aminophenylalanine into the non‐enzymatic protein scaffold LmrR forms a proficient and enantioselective artificial enzyme (LmrR_pAF) for the Friedel‐Crafts alkylation of indoles with enals. The unnatural aniline side‐chain is directly involved in catalysis, operating via a well‐known organocatalytic iminium‐based mechanism. In this study, we show that LmrR_pAF can enantioselectively form tertiary carbon centres not only during C−C bond formation, but also by enantioselective protonation, delivering a proton to one face of a prochiral enamine intermediate. The importance of various side‐chains in the pocket of LmrR is distinct from the Friedel‐Crafts reaction without enantioselective protonation, and two particularly important residues were probed by exhaustive mutagenesis.
An Alternate [2×2] Grid Constructed Around TiO4N2 Units
Authors: Day Erin , Kauffmann Brice , Scarpi‐Luttenauer Matthieu , Chaumont Alain , Henry Marc , Mobian Pierre 
Published: February 2022

AbstractThe formation of a tetranuclear self‐assembled species constructed around a TiO4N2 motif is reported. This aggregate is generated from Ti(OiPr)4, 2,2’‐bipyrimidine (bpym) and a bis‐biphenol strand (L2H4) where two 2,2’‐biphenol units are connected with a biphenyl spacer. The solid‐state structure of the [Ti4(L2)4(bpym)4] architecture reveals the formation of an unprecedented chiral alternate [2×2] grid. In addition to the structural characterization of the [Ti4(L2)4(bpym)4] architecture, geometry optimisation on various possible isomeric tetrameric assemblies ([2×2] grid, alternate [2×2] grid, circular helicate or cyclic hemihelicate) is performed using DFT calculations. These results confirm the higher stability of the alternate [2×2] grid over the other possible tetranuclear isomers and allow examining the replacement of the bpym ligands by two novel diimine chelates within the tetranuclear assembly (2,2’‐bipyridine=bipy and 2,2’‐bipyrazine=bipyraz). From this initial theoretical investigation, the competition between these three nitrogen ligands in the course of the self‐assembly process is next evaluated. Overall, this investigation shows that the exclusive formation of the alternate [2×2] grid is driven by CH⋅⋅⋅N interactions.
Prevalence of human papillomavirus in head and neck cancers at tertiary care centers in the United States over time
Authors: Scott‐Wittenborn Nicholas , D'Souza Gypsyamber , Tewari Sakshi , Rooper Lisa , Troy Tanya , Drake Virginia , Bigelow Elaine O. , Windon Melina J. , Ryan William R. , Ha Patrick K. , Kiess Ana P. , Miles Brett , Westra William H. , Mydlarz Wojciech K. , Eisele David W. , Fakhry Carole 
Published: February 2022

BACKGROUNDHuman papillomavirus (HPV) is responsible for a growing proportion of oropharyngeal squamous cell carcinomas (OPSCCs) among men and White individuals. Whether similar trends apply to women, non‐Whites, and non‐oropharyngeal squamous cell carcinomas (non‐OPSCCs) is unknown.METHODSThis is a cross‐sectional analysis combining 2 multi‐institutional case series of incident head and neck squamous cell carcinoma (HNSCC) cases. Incident HNSCCs from 1995 to 2012 were enrolled retrospectively using banked tumor samples and medical record abstraction. Incident HNSCCs from 2013 to 2019 were enrolled prospectively. The prevalence of tumor HPV biomarkers was tested over 3 time periods (1995‐2003, 2004‐2012, and 2013‐2019). Centralized testing was done for p16 immunohistochemistry (p16) and oncogenic HPV in situ hybridization (ISH).RESULTSA total of 1209 incident cases of HNSCC were included. Prevalence of p16‐ and ISH‐positive tumors increased significantly for oropharynx cancers over time. The majority were positive after 2013 for White patients (p16, 92%; P < .001; ISH 94%; P < .001), Black patients (p16, 72%; P = .021; ISH 67%; P = .011), and Hispanic patients (p16, 100%; P = .04; ISH 100%; P = .013). For women with OPSCC, the prevalence of p16‐ and ISH‐positive tumors increased significantly to 82% (P < .001) and 78% (P = .004), respectively. For non‐OPSCCs, there was increased p16 and ISH positivity overall with 24% p16 and 16% ISH positivity in the most recent time period (P < .001 for both).CONCLUSIONSThe majority of OPSCCs in US tertiary care centers are now p16 and ISH positive for all sex and race groups. In some populations in the United States, 91% of OPSCCs are now caused by HPV. Few non‐OPSCCs are p16 and ISH positive.
Effective neighbor node discovery using improved Bayesian clock synchronization‐gossip routing protocol in mobile low duty cycle wireless sensor network
Authors: Bethi Sravankumar , Moparthi Nageswara Rao 
Published: February 2022

AbstractIn wireless application, mobile low duty cycle wireless sensor network (MLDC‐WSN) gained more attention among the researchers, because it includes advantages like growing node life, saving node power, and network reliability. However, the sleeping features and mobility of MLDC‐WSN results in topology change that restricts the speed of neighbor node discovery. To highlight this concern, a novel routing protocol named as improved Bayesian clock synchronization‐gossip routing protocol is proposed for an effective neighbor node discovery in MLDC‐WSN. The proposed routing protocol reduces end‐to‐end delay, and clock drifts problems. Also, the proposed routing protocol improves the clock synchronization and captures the neighbor discovery nodes by identifying the next neighbor set in the next moment, due to the prediction of the distance and movement speed of neighbors. Simulation and analytical results showed that the proposed routing protocol superiorly decreases the end‐to‐end delay and energy consumption compared to the existing algorithms.
The Dynamic Covalent Chemistry of Amidoboronates: Tuning the rac5/rac6 Ratio via the B−N and B−O Dynamic Covalent Bonds
Authors: Harders Patrick , Griebenow Thomas , Businski Artjom , Kaus Anton J. , Pietsch Lorenz , Näther Christian , McConnell Anna J. 
Published: February 2022

AbstractAmidoboronates were prepared as a mixture of up to three isomers (rac5, meso5 and rac6) from the reductive coupling of N‐aryl iminoboronates with either cobaltocene or decamethylcobaltocene in acetonitrile. The interconversion of rac5 and rac6 isomers via rearrangement of their dynamic covalent B−N bonds was investigated in solution by redissolving isolated crystals. The aniline para substituent and catechol within the amidoboronates tuned the rac5/rac6 ratio; the rac6 isomer predominated for amidoboronates based on pyrocatechol, ranging from a ratio of 0 : 1 with electron‐withdrawing Cl substituents to 0.5 : 0.5 for electron‐donating NMe2 substituents. No interconversion was observed for the rac5 isomers of amidoboronates based on tetrachlorocatechol. Furthermore, the rac5/rac6 distribution was altered by catechol exchange of pyrocatechol for tetrachlorocatechol exploiting the dynamic covalent B−O bonds and the rac5 isomer was the major isomer following exchange.
HDRM: A hole detection and recovery method in wireless sensor network
Authors: Papi Fataneh , Barati Hamid 
Published: February 2022

SummaryWireless sensor networks (WSNs) consist of many sensor nodes, gathering data from the environment and sending it to base station (BS). One of the major challenges in WSNs is coverage maintenance. Since batteries provide sensor nodes' energy, battery depletion leads to the death of sensor nodes; when several nodes are dead, connectivity is lost, and network coverage fails. This paper proposed a method consisting of two phases to provide and maintain coverage in WSNs. In the first phase, hole detection is performed through a simple distributed method with low overhead. Nodes explore whether there are holes around them or not. In the second phase, coverage holes are covered by mobile nodes. When the number of holes exceeds mobile nodes, the holes with the highest priority and the shortest distance to mobile nodes will be selected. The performance of the proposed method (HDRM) was compared with Dezfuli et al. method, PEAS‐LI, CACA, Dezfuli et al. method, and Verma et al. method in terms of average coverage percentage, the average number of alive nodes, energy consumption, and network lifetime. The results of the simulation reveal that the proposed method leads to a decrease in the energy consumption of network, an increase in network lifetime, and improved coverage in the network.
Positive effect of filtration additives for increasing environmental DNA detections in summer and winter oceanic waters
Authors: Ahn Hyojin , Asano Yusuke , Suzuki Shota , Ooki Atsushi 
Published: February 2022

AbstractEnvironmental DNA (eDNA) is a convenient biodiversity monitoring tool, and many studies have focused on river and coastal areas, while deep‐water oceanic surveys are rare. However, using eDNA techniques to learn about oceanic communities may also be a useful approach. We tested methods to enhance ocean eDNA collections adding four different materials (sediment, diatomite, zirconia bead, and molecular sieve) in combination with 0.45‐μm pore size filter, also compared 0.22‐μm pore size filter, using five 2‐L volume replicates. The experiments were conducted off the Pacific coast of Hokkaido, Japan, in summer and winter. The winter trial also included a larger water volume (10 L, duplicate) experimental treatment. The added diatomite showed the highest number of detected operational taxonomic units (OTU) in the summer trial, while sediment and beads showed higher numbers in winter. GLM analysis showed that pore size does not affect the number of OTUs, while season and the other four additive materials were significant effects. The added materials in the water likely trapped more eDNA and prevented it from passing through the filters. The 10‐L filtered sample had more OTUs than combining five replicates of 2‐L filtered samples. Comparison among the same trial revealed that DNA composition in the water is variable, and detected species differed even in the same water sample. Species richness and diversity were higher in winter than in summer, and species compositions differed between seasons. The greater numbers of species detected using filtration additives suggest these methods could be useful for eDNA ocean biodiversity surveys.
Measuring the grain‐size distributions of mass movement deposits
Authors: Harvey Erin L. , Hales Tristram C. , Hobley Daniel E. J. , Liu Jie , Fan Xuanmei 
Published: February 2022

AbstractMass movement deposit grain‐size distributions (GSDs) record initiation, transport and deposition mechanisms, and contribute to the rate at which sediment is exported from hillslopes to channels. Defining the GSD of a mass movement deposit is a significant challenge because they are often difficult to access, are heterogeneous in planform and with depth, contain grain sizes from clay (<63 μm) to boulders (>1 m), and require considerable time to calculate accurately. There are numerous methods used to measure mass movement GSDs, but no single method alone can measure the entire range of grain sizes. This paper compares five common methods for determining mass movement deposit GSDs to assess how their accuracy may affect their applicability to different research areas. We applied an automated wavelet analysis (pyDGS), Wolman pebble counts, survey tape counts, manual photo counts and sieving to three different mass movement deposits (two debris flows, one rockslide) in Tredegar, Wales and the Longmen Shan, China. We found that pyDGS and survey tape counts produced comparable GSDs to sieving over a single order of magnitude. PyDGS required calibration to achieve accurate results, limiting its use for many applications. In Tredegar, Wolman pebble counts over‐estimated grain sizes in the lower 80% of the distribution relative to the other four methods used. We demonstrate that method choice can introduce significant uncertainties, particularly at the edges of the distributions, such that D16 values differ by up to a factor of five. These methodological uncertainties limit GSD comparisons across studies, particularly where these are used to infer processes within deposits. To minimize these challenges, the methods chosen should be both carefully reported and consistent with the research question.
Resource optimization in UAV‐assisted wireless networks—A comprehensive survey
Authors: Basharat Mehak , Naeem Muhammad , Qadir Zakria , Anpalagan Alagan 
Published: February 2022

AbstractUnmanned aerial vehicles (UAVs) are inevitable to meet the requirements of future wireless networks. Recently, researchers have investigated diverse issues related to UAV‐assisted networks (including placement of UAVs, resource management, and spectrum sharing) for a broad range of applications, including disaster management, data collection from the ground sensor network, surveillance, logistic support, etc. This article presents a comprehensive survey of recent advances in UAV‐assisted networks. We mainly emphasize the optimization perspective of UAV‐assisted wireless networks with different objectives, including coverage area, throughput, energy efficiency, quality of service, delay, and outage probability. We provide a detailed discussion for each objective with their constraints, optimization problem, solution approach, and performance metrics. We also provide relationships among different objectives and parameters considered in the literature. Finally, we list open research issues and future research directions to improve UAV‐assisted wireless networks in the context of optimization.