bluuebunny/crossref_metadata_2025_split huggingface dataset:
Role of Ba in an Al2O3‐Supported Pd‐based Catalyst under Practical Three‐Way Catalysis Conditions
Authors: Jing Yuan , Wang Gang , Mine Shinya , Maeno Zen , Hakim Siddiki S. M. A. , Kobayashi Masayuki , Nagaoka Shuhei , Shimizu Ken‐ichi , Toyao Takashi 
Published: February 2022

AbstractBarium (Ba) has been widely and successfully added to three‐way catalysts to effectively control gasoline vehicle emissions. While the introduction of Ba is well‐known to have a very significant impact on three‐way catalysis (TWC) performance, the role of Ba under practical TWC conditions remains insufficiently understood. In this study, we investigated the role of Ba in a Pd‐based catalyst in a standard TWC process using a gasoline vehicle and in situ/operando infrared (IR) spectroscopy. The addition of Ba was found to reduce all of the emissions considered (NOx, CO, and non‐methane hydrocarbons) in the vehicle exhaust gas; it also suppressed supported‐metal aggregation, which is a requirement of a high‐performance catalyst. In addition, IR studies using model powder catalysts revealed that the efficient formation of intermediate surface nitrate species and their subsequent reactions with reductant gases, such as CO, H2, and C3H6 (as a hydrocarbon), play key roles in reducing emissions. This process is akin to the NOx storage and reduction (NSR) mechanism commonly used to control diesel emissions.
Dynamic channel allocation strategy for quality of service enhancement in wireless ad hoc networks
Authors: Wu Chenyang , Ji Xiaopeng , Dai Yuewei 
Published: February 2022

AbstractThe quality of service (QoS) is a momentous performance index of wireless ad hoc networks. However, unreasonable channel allocation will degrade the QoS. During the process of channel allocation, if user requests for idle channels are rejected, the QoS will lower accordingly. In this paper, we propose a dynamic channel allocation strategy for QoS enhancement to enhance the QoS and reduce the rejection rate of idle channel requests. First of all, the channel availability model is modeled as a Continuous Time Markov Chain in a bid to calculate the channel availability which is used to compute the channel availability factor (CAF) and the channel availability threshold (CAT). Then, the dynamic channel allocation process is achieved based on the comparison result of CAF and CAT. Ultimately, the QoS is guaranteed by exploiting the earliest deadline first algorithm to forward packets and enhanced by using the packet segmentation algorithm to divide packets into packet flows. The simulation results prove that the proposed channel allocation strategy increases the packet delivery ratio and throughput, decreases the end‐to‐end delay and total overhead and shows a QoS enhancement than existing schemes.
Tetrachromophoric Systems Based On Rigid Tetraphenylmethane (TPM) and Tetraphenylethylene (TPE) Scaffolds
Authors: Villa Marco , Ceroni Paola , Fermi Andrea 
Published: February 2022

AbstractTetraphenylmethane (TPM) and tetraphenylethylene (TPE) are among the most common rigid molecular architectures able to spatially arrange four peripheral functional groups. The aim of this Review is to provide a thorough description of the properties that supramolecular systems consisting of four chromophores (common supramolecular motifs, ligands, redox centers and conventional luminophores such as polypyridyl ligands, viologens, and azobenzene units) attached to TPM and TPE cores can show. Specifically, the photophysical properties of these molecules as well as the electronic interactions of the chromophores either in the ground or in the excited states will be highlighted and discussed, outlining the relationship among cores and outer subunits.
Warfarin Dosing in Patients With CYP2C9*5 Variant Alleles
Authors: Lindley Kathryn J. , Limdi Nita A. , Cavallari Larisa H. , Perera Minoli A. , Lenzini Petra , Johnson Julie A. , Wu Alan H. B. , Ridker Paul M , King Cristi R. , Eby Charles S. , Patel Shitalben , Shah Shimoli V. , Beasley T. Mark , Li Juan , Gage Brian F. 
Published: February 2022

Pharmacogenetic dosing improves the accuracy of warfarin dosing, but current pharmacogenetic dosing algorithms are less accurate in populations of African ancestry. The cytochrome P450 2C9*5 (CYP2C9*5) allele is found almost exclusively in populations of African ancestry, and in vitro studies suggest CYP2C9*5 is associated with reduced clearance of warfarin. The clinical relevance of this single‐nucleotide variation (SNV) (formerly SNP) is uncertain. In this multicentered study of 2,298 patients (49% female, 35% Black) taking warfarin, we quantified the association between the CYP2C9*5 allele and warfarin requirements. The CYP2C9*5 SNV was present in 2.3% of Black and 0.07% of White patients. Without taking CYP2C9*5 into account, pharmacogenetic algorithms that include other SNVs overestimated the warfarin dose by 30% (95% confidence interval (19–40%), P < 0.001), an average of 1.87 mg/day (SD 1.64) in heterozygotes (P < 0.001). Noncarriers required a slightly (0.23 mg/day, SD 2.09) higher than predicted dose. Genotyping for CYP2C9*5 corrected the potential overdose and halved overall dosing error in heterozygotes. Patients carrying CYP2C9*5 require a clinically relevant reduction in warfarin dose. Given the potential to improve the accuracy and safety of warfarin dosing in populations of African ancestry, we have incorporated this SNV into a nonprofit website to assist warfarin initiation (www.WarfarinDosing.org).
Förster Resonance Energy Transfer Rate and Efficiency in Plasmonic Nanopatch Antennas
Authors: Hamza Abdullah O. , Bouillard Jean‐Sebastien G. , Adawi Ali M. 
Published: February 2022

AbstractSuccessful control of Förster resonance energy transfer (FRET) through the engineering of the local density of optical states (LDOS) will allow us to develop novel strategies to fully exploit this phenomenon in key enabling technologies. Here we present an experimental and theoretical study on the effect of the LDOS on the FRET rate and efficiency in plasmonic nanopatch antennas formed between a gold nanoparticle and an extended silver film. Our results reveal that plasmonic nanopatch antennas of similar levels of LDOS exhibit comparable levels of FRET rate and FRET efficiency, demonstrating that LDOS plays an important part in controlling both FRET rate and efficiency. Our findings contribute to the ongoing debate about the relation between the FRET process and the LDOS, as well as directly impacting the development of novel FRET based light harvesting and sensing devices.
Responsible digitalization through digital technologies and green practices
Authors: Cardinali Pier Giacomo , De Giovanni Pietro 
Published: February 2022

AbstractAlthough digital technologies grant documented operational and economic benefits, they can activate unwanted consequences for the environment and society. This research investigates these issues by exploring how firms can create a portfolio of technologies to perform corporate social responsibility (CSR) goals and then achieving responsible digitalization. The latter is defined as the firms' capacity of adopting digital technologies without underperforming in terms of CSR. Accordingly, we investigate the relationships between digital technologies and CSR to discover the firms' capacity to achieve responsible digitalization targets. Furthermore, we explore how the use of some green practices allows firms to increase the chances of achieving responsible digitalization goals.
Advanced spatially hybrid fluid‐kinetic modelling of plasma‐edge neutrals and application to ITER case using SOLPS‐ITER
Authors: Van Uytven W. , Dekeyser W. , Blommaert M. , Horsten N. , Marandet Y. , Baelmans M. 
Published: February 2022

AbstractA spatially hybrid fluid‐kinetic approach for the efficient simulation of plasma‐edge neutrals is extended with a kinetic‐fluid condensation process and an automated approach to select a fluid or kinetic treatment at each point along the divertor targets. With the proposed hybrid fluid‐kinetic methods, the dominant charge–exchange reaction can be largely removed from the kinetic neutral simulation. The hybrid methods achieve quantitative agreement with the standard kinetic approach, with relative errors on the peak target plasma density and peak target ion flux density of 5–30%, while the Central Processing Unit (CPU) time for the kinetic neutral solver is reduced by a factor 3–6.
How early mathematics interventions support mathematics vocabulary learning: A content analysis
Authors: Nelson Gena , Carter Hannah 
Published: February 2022

AbstractWhile there is a strong research base that supports intervening early in mathematics, research investigating the importance of mathematics vocabulary is still emerging. Practitioners and researchers may benefit from understanding how mathematics interventions support mathematics vocabulary acquisition, particularly for students who struggle with learning mathematics. Thus, the purpose of this study was to conduct a mathematics vocabulary content analysis across seven kindergarten and first‐grade mathematics interventions. Across the intervention lessons, we recorded suggested teacher and student actions related to mathematics vocabulary instruction. The results indicated the most common instructional strategies used to teach mathematics vocabulary include: providing students with the opportunity to apply the meaning of the vocabulary term (94.7%), using representations (66.4%), and asking students to respond to teacher prompts using the term (44.7%). Overall, 29.7% of lessons clearly defined vocabulary terms, and 5.8% of lesson objectives addressed teaching the definition of the term. We discuss implications for researchers and practitioners to supplement interventions with opportunities for students to learn, practise, and apply mathematics vocabulary.
Sharp‐based shoreface successions reconsidered in three‐dimensions: A forward stratigraphic modelling perspective
Authors: Willis Brian J. , Sun Tao , Ainsworth R. Bruce 
Published: February 2022

AbstractSea‐level fall is commonly inferred to generate a sharp‐based shoreface succession that displays an abrupt vertical transition from heterolithic, lower shoreface to sandy, upper shoreface deposits across a marine erosion surface. Three‐dimensional, process physics‐based, coupled hydrodynamic‐morphodynamic models are constructed to compare bedding architecture and facies patterns of wave‐dominated delta deposits preserved during normal (static sea level) and forced (falling sea level) regression and then transgression during subsequent sea‐level rise. The models suggest that wave‐dominated deltas will develop a sandy shoreface inner clinoform dipping from the subaerial delta plain to a relatively flat wave‐scoured subaqueous delta top, which is laterally separated from a delta front outer clinoform that dips from the subaqueous delta top edge to the shelf floor. As these systems prograde, deposits of these dual‐clinoforms will become vertically stacked and will be separated by a regressive surface of marine erosion. Significant grain‐size contrasts between these vertically stacked clinoform deposits reflect differences in sediment‐transport directions and sorting under river and wave‐driven littoral currents along the coast, and cannot be related uniquely to sea‐level changes. The marine erosion surface under a sharp‐based shoreface deposit records abrupt facies shift across a kilometres‐wide, wave‐eroded surface and defines a discontinuity in the preserved vertical succession. The continuity of a regressive surface of marine erosion mapped over many tens to hundreds of kilometres across mid‐shelf regions of some stratigraphic sequences reflects a gradual lateral shift in the position of littoral current erosion on a subaqueous delta top. Timelines cross such vertical lithic discontinuities throughout the extent of a prograding deposit, and the regressive surface of marine erosion thus has little chronostratigraphic significance. The results of these models suggest caution in inferring sea‐level changes from the character of vertical facies changes observed in individual well logs and isolated outcrop exposures.
Potential of chromatography and mass spectrometry for the differentiation of three series of positional isomers of 2‐(dimethoxyphenyl)‐N‐(2‐halogenobenzyl)ethanamines
Authors: Kupriyanova Olga V. , Shevyrin Vadim A. , Shafran Yuri M. 
Published: February 2022

AbstractN‐(2‐substituted benzyl)‐2,5‐dimethoxyphenethylamines often cause severe poisonings which has led to their legal prohibition in many countries. At the same time, their positional isomers can be studied as potential therapeutic drugs. In this regard, the search for various approaches to differentiate these isomers is an important practical task, the solution of which would guarantee from identification errors during laboratory analysis. In this paper, the possibilities of differentiation of isomers varying in the position of two methoxy groups in the phenylethyl part of the molecule are considered on the example of compounds of NBF, NBCl, and NBBr series by chromatography‐mass spectrometry methods. Gas or liquid reverse‐phase chromatography in the proposed chromatographic separation modes has demonstrated their ability to resolve this problem reliably. Data on retention indices of isomeric compounds and their derivatives can serve as an additional identification criterion for gas chromatography–mass spectrometry (GC‐MS) analysis. Differentiation of NBF and NBCl isomers using electron ionization (EI) mass spectra is feasible only if both the spectrum of the compound and its N‐trifluoroacetyl derivative are registered; differentiation of NBBr positional isomers under these conditions does not require obtaining the derivatives. Using electrospray ion source, the compounds can easily be differentiated based on the distinctive features of their collision induced dissociation (CID) spectra recorded at low energy values, which also does not require the synthesis of derivatives. The data presented in current paper will be useful for analysis in laboratories providing the determination of narcotic drugs.
Structure‐guided stabilization of pathogen‐derived peptide‐HLA‐E complexes using non‐natural amino acids conserves native TCR recognition
Authors: Barber Claire , De Souza Victoria Arena , Paterson Rachel L. , Martin‐Urdiroz Magdalena , Mulakkal Nitha Charles , Srikannathasan Velupillai , Connolly Mary , Phillips Gwilym , Foong‐Leong Tein , Pengelly Robert , Karuppiah Vijaykumar , Grant Tressan , Dembek Marcin , Verma Anil , Gibbs‐Howe Dawn , Blicher Thomas H. , Knox Andrew , Robinson Ross A. , Cole David K. , Leonard Sarah 
Published: February 2022

AbstractThe nonpolymorphic class Ib molecule, HLA‐E, primarily presents peptides from HLA class Ia leader peptides, providing an inhibitory signal to NK cells via CD94/NKG2 interactions.Although peptides of pathogenic origin can also be presented by HLA‐E to T cells, the molecular basis underpinning their role in antigen surveillance is largely unknown. Here, we solved a co‐complex crystal structure of a TCR with an HLA‐E presented peptide (pHLA‐E) from bacterial (Mycobacterium tuberculosis) origin, and the first TCR‐pHLA‐E complex with a noncanonically presented peptide from viral (HIV) origin. The structures provided a molecular foundation to develop a novel method to introduce cysteine traps using non‐natural amino acid chemistry that stabilized pHLA‐E complexes while maintaining native interface contacts between the TCRs and different pHLA‐E complexes. These pHLA‐E monomers could be used to isolate pHLA‐E‐specific T cells, with obvious utility for studying pHLA‐E restricted T cells, and for the identification of putative therapeutic TCRs.
Geomorphic response to historic and ongoing human impacts in a large lowland river
Authors: Mossa Joann , Chen Yin‐Hsuen 
Published: February 2022

AbstractLowland coastal plain rivers are important for navigation and ecosystems, having unique concerns regarding water and sediment management. The Apalachicola River in Florida, the lower end of the ACF (Apalachicola–Chattahoochee–Flint) system, had historical modifications beginning in the 1800s. Most impacts are attributable to the Apalachicola Navigation Project in the latter half of the 20th century, which included dredging, disposal, rock and snag removal, artificial cutoffs, and wing‐dike building.As one of few studies using paired hydrographic surveys over a long reach and time (170 km, 50 years), we defined four zones of bed elevation change between 1960 and 2010 based on the cumulative thalweg elevation plots. The river has four bed change zones: (1) uppermost, marked degradation from river mile (RM) 106 to 85 because of dam construction; (2) middle, minimal degradation from RM 85 to 34; (3) artificial cutoff zone, highest degradation, from RM 34 to 27; and (4) lowermost zone, aggradation from RM 27 to Apalachicola Bay because of upstream bed and bank sediment disturbances. Artificial cutoffs and lithology influence lateral migration, with rates being highest in cutoff zones and least in areas with some bedrock upstream and finer sediments downstream. Length changes from 1941 to 2019 are stable, except for the middle reach, which lengthened nearly 10%, and the lower non‐tidal reach, where length shortened with cutoffs then regained in subsequent decades. Minimizing disturbance has led to 18% of the sand bar area revegetating since a decade of dredging ended. This framework helps in understanding historic and ongoing human activities, notably upstream water consumption, connectivity changes, sediment inputs, and climate change, that will affect the water and sediment management of the river, its floodplain, and bay, thus varying approaches for restoration.
Immunostimulatory and antioxidant activities of the selenized polysaccharide from edible Grifola frondosa
Authors: Li Qian , Zhu Linfei , Qi Xingpu , Zhou Ting , Li Yonglian , Cai Mingjie , Yan Yuting , Qian Jian‐Ya , Peng Daxin 
Published: February 2022

AbstractGrifola frondosa polysaccharide (GFP2) was extracted and purified by anion‐exchange chromatography. A selenized G. frondosa polysaccharide, SeGFP2, was modified in selenylation by nitric acid–sodium selenite (HNO3‐Na2SeO3) method. Structural features were investigated, and the lymphocyte proliferation and antioxidant activities were compared taking GFP2 as control. SeGFP2 with a molecular weight of 2.12 × 104 Da was composed of mannose, glucose, and galactose with a ratio of 3.5:11.8:1.0. A typical absorption of selenium ester was observed in SeGFP2 molecule. SeGFP2 was proposed as a branched polysaccharide, which consisted of 1,3‐D‐Glcp, 1,6‐D‐Glcp, 1,4,6‐D‐Galp, and 1,3,6‐D‐Manp. SeGFP2 showed a linear filamentous structure with some branches. SeGFP2 could significantly promote T‐ or B‐lymphocyte proliferation and the enhancement was higher than GFP2. The in vitro antioxidant activities of SeGFP2 were more potent than GFP2. These present data suggested that selenylation could significantly improve the lymphocyte proliferation and in vitro antioxidant activities of GFP2.
Fusion‐associatedcarcinomas of the breast: Diagnostic, prognostic, and therapeutic significance
Authors: Loo Suet Kee , Yates Megan E. , Yang Sichun , Oesterreich Steffi , Lee Adrian V. , Wang Xiao‐Song 
Published: February 2022

AbstractRecurrent gene fusions comprise a class of viable genetic targets in solid tumors that have culminated several recent breakthrough cancer therapies. Their role in breast cancer, however, remains largely underappreciated due to the complexity of genomic rearrangements in breast malignancy. Just recently, we and others have identified several recurrent gene fusions in breast cancer with important clinical and biological implications. Examples of the most significant recurrent gene fusions to date include (1)ESR1::CCDC170gene fusions in luminal B and endocrine‐resistant breast cancer that exert oncogenic function via modulating the HER2/HER3/SRC Proto‐Oncogene (SRC) complex, (2)ESR1exon 6 fusions in metastatic disease that drive estrogen‐independent estrogen‐receptor transcriptional activity, (3)BCL2L14::ETV6fusions in a more aggressive form of the triple‐negative subtype that prime epithelial–mesenchymal transition and endow paclitaxel resistance, (4) theETV6::NTRK3fusion in secretory breast carcinoma that constitutively activates NTRK3 kinase, (5) the oncogenicMYB‐NFIBfusion as a genetic driver underpinning adenoid cystic carcinomas of the breast that activates MYB Proto‐Oncogene (MYB) pathway, and (6) the NOTCH/microtubule‐associated serine–threonine (MAST) kinase gene fusions that activate NOTCH and MAST signaling. Importantly, these fusions are enriched in more aggressive and lethal breast cancer presentations and appear to confer therapeutic resistance. Thus, these gene fusions could be utilized as genetic biomarkers to identify patients who require more intensive treatment and surveillance. In addition, kinase fusions are currently being evaluated in breast cancer clinical trials and ongoing mechanistic investigation is exposing therapeutic vulnerabilities in patients with fusion‐positive disease.
Migration of carbon dioxide in sandstone under various pressure/temperature conditions: From experiment to simulation
Authors: Xu Liang , Li Qi , Myers Matthew , White Cameron , Cao Xiaomin 
Published: February 2022

AbstractThe pressure and temperature of a target CO2 storage reservoir can significantly affect the migration and relative permeability characteristics which can ultimately determine the carbon storage capacity and storage integrity of target formations. To understand these impacts, a CO2 core‐flooding experiment was conducted on a brine‐saturated sandstone containing a single clay interlayer perpendicular to the flow direction at a temperature of 313 K and a pressure of 8 MPa and the fluid distribution was monitored by a high‐resolution X‐ray computed tomography (X‐CT) scanner. Further, a one‐dimensional model was established to reproduce the CO2 flow behavior inside the sample under the same experimental condition and then the model was extended to different temperatures (313 and 350 K) and pressures (6, 8, 12, and 17.4 MPa). The experimental results show that the CO2 preferentially created high‐CO2‐saturation flow pathways which then expanded until they were large enough to transport the CO2 at the prescribed flow rate. The sub‐core scale heterogeneity also had significant effects on the CO2 migration, forming a barrier to downstream flow. The simulation results show that at a given temperature, the CO2 front migration velocity decreased with increasing reservoir pressure while the CO2 saturation along the pathways increased. Comparing simulations when the reservoir pressure was the same, the front‐migration velocity increased with increasing temperature, and the CO2 saturation along the pathways decreased. Meanwhile, the influence of temperature and pressure on CO2 saturation distribution was more evident in the parts of the core with high residual brine saturation. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.