bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metal Sub‐nanoclusters Confined within Hierarchical Porous Carbons with High Oxidation Activity
Authors: Zhao Xin , Kong Xiangpeng , Wang Fengliang , Fang Ruiqi , Li Yingwei 
Published: January 2021

AbstractMetal sub‐nanoclusters (SNCs) have shown great promise for a variety of catalytic reactions. However, the fabrication of stable metal SNCs simultaneously with high dispersion and high metal contents remains a challenge. Herein, we report a novel and versatile strategy for the synthesis of various bimetal SNCs stabilized within hierarchical porous carbons (HPC). This facile synthesis only involves the self‐assembly of a metal‐organic framework (MOF) as the precursor, a molten salt assisted pyrolysis process and the final metal replacement. The metal SNCs (mostly less than 0.8 nm) derived from the metal nodes of the MOF are exclusively confined and homogeneously dispersed throughout the organic ligands derived HPC at high loadings (up to 11.2 wt %). The obtained Cu‐Pd@HPC composite exhibits superior catalytic activity and recycling durability in the selective transformation of furfural to maleic acid, achieving 97.8 % yield of maleic acid with a TOF value as high as 20.1 h−1 under mild conditions. DFT calculations reveal that the introduction of Pd shifts the partial density of states of Cu toward the Fermi level, leading to stronger chemisorption of furfural to enhance the catalytic activity.
Stepped Channels Integrated Lithium–Sulfur Separator via Photoinduced Multidimensional Fabrication of Metal–Organic Frameworks
Authors: Gao Guang‐Kuo , Wang Yi‐Rong , Wang Si‐Bo , Yang Ru‐Xin , Chen Yifa , Zhang Yu , Jiang Cheng , Wei Mei‐Jie , Ma Huiyuan , Lan Ya‐Qian 
Published: January 2021

AbstractMultidimensional fabrication of metal–organic frameworks (MOFs) into multilevel channel integrated devices are in high demanded for Li‐S separators. Such separators have advantages in pore‐engineering that might fulfill requirements such as intercepting the diffusing polysulfides and improving the Li+/electrolyte transfer in Li‐S batteries. However, most reported works focus on the roles of MOFs as ionic sieves for polysulfides while offering limited investigation on the tuning of Li+ transfer across the separators. A photoinduced heat‐assisted processing strategy is proposed to fabricate MOFs into multidimensional devices (e.g., hollow/Janus fibers, double‐or triple‐layer membranes). For the first time, a triple‐layer separator with stepped‐channels has been designed and demonstrated as a powerful separator with outstanding specific capacity (1365.0 mAh g−1) and cycling performance (0.03 % fading per cycle from 100th to 700th cycle), which is superior to single/double‐layer and commercial separators. The findings may expedite the development of MOF‐based membranes and extend the scope of MOFs in energy‐storage technologies.
A TADF Emitter Featuring Linearly Arranged Spiro‐Donor and Spiro‐Acceptor Groups: Efficient Nondoped and Doped Deep‐Blue OLEDs with CIEy<0.1
Authors: Xia Guoqi , Qu Cheng , Zhu Yunlong , Ye Jianjiang , Ye Kaiqi , Zhang Zuolun , Wang Yue 
Published: January 2021

AbstractReported herein is a molecular design strategy of deep‐blue emitters for resolving the lack of highly efficient deep‐blue organic light‐emitting diodes (OLEDs) featuring CIEy(Commission Internationale de l'Eclairage) color coordinates matching the display requirements (<0.1). The strategy is to combine weak spiro‐donor and spiro‐acceptor groups into a linear donor‐π‐acceptor type of thermally‐activated delayed fluorescence molecule through a sterically bulky π‐spacer. The strategy endows an emitter with deep‐blue emission, a narrower emission bandwidth (51 nm in toluene), a high photoluminescence quantum yield (0.95 in toluene), weak concentration quenching, and efficient triplet‐exciton utilization, which are all attractive characteristics for emitters of deep‐blue OLEDs with lower CIEycoordinates. Owing to the rational design, the emitter has realized not only highly efficient doped deep‐blue OLEDs with external quantum efficiencies (EQEs) up to 25.4 % and CIEyless than 0.1 but also so far the most efficient nondoped deep‐blue OLED (EQE up to 22.5 %) with CIEyless than 0.1.
Deciphering the Supramolecular Organization of Multiple Guests Inside a Microporous MOF to Understand their Release Profile
Authors: Balestri Davide , Mazzeo Paolo P. , Perrone Roberto , Fornari Fabio , Bianchi Federica , Careri Maria , Bacchi Alessia , Pelagatti Paolo 
Published: January 2021

AbstractMetal‐organic frameworks (MOFs) give the opportunity of confining guest molecules into their pores even by a post‐synthetic protocol. PUM168 is a Zn‐based MOF characterized by microporous cavities that allows the encapsulation of a significant number of guest molecules. The pores engineered with different binding sites show a remarkable guest affinity towards a series of natural essential oils components, such as eugenol, thymol and carvacrol, relevant for environmental applications. Exploiting single crystal X‐ray diffraction, it was possible to step‐wisely monitor the rather complex three‐components guest exchange process involving dimethylformamide (DMF, the pristine solvent) and binary mixtures of the flavoring agents. A picture of the structural evolution of the DMF‐to‐guest replacement occurring inside the MOF crystal was reached by a detailed single‐crystal‐to‐single‐crystal monitoring. The relation of the supramolecular arrangement in the pores with selective guests release was then investigated as a function of time and temperature by static headspace GC‐MS analysis.
Genomic and transcriptomic resources for candidate gene discovery in the Ranunculids
Authors: Arias Tatiana , Riaño‐Pachón Diego Mauricio , Di Stilio Verónica S. 
Published: January 2021

PremiseMultiple transitions from insect to wind pollination are associated with polyploidy and unisexual flowers in Thalictrum (Ranunculaceae), yet the underlying genetics remains unknown. We generated a draft genome of Thalictrum thalictroides, a representative of a clade with ancestral floral traits (diploid, hermaphrodite, and insect pollinated) and a model for functional studies. Floral transcriptomes of T. thalictroides and of wind‐pollinated, andromonoecious T. hernandezii are presented as a resource to facilitate candidate gene discovery in flowers with different sexual and pollination systems.MethodsA draft genome of T. thalictroides and two floral transcriptomes of T. thalictroides and T. hernandezii were obtained from HiSeq 2000 Illumina sequencing and de novo assembly.ResultsThe T. thalictroides de novo draft genome assembly consisted of 44,860 contigs (N50 = 12,761 bp, 243 Mbp total length) and contained 84.5% conserved embryophyte single‐copy genes. Floral transcriptomes contained representatives of most eukaryotic core genes, and most of their genes formed orthogroups.DiscussionTo validate the utility of these resources, potential candidate genes were identified for the different floral morphologies using stepwise data set comparisons. Single‐copy gene analysis and simple sequence repeat markers were also generated as a resource for population‐level and phylogenetic studies.
Design, synthesis, and biological evaluation of new urolithin amides as multitarget agents against Alzheimer's disease
Authors: Shukur Karar T. , Ercetin Tugba , Luise Chiara , Sippl Wolfgang , Sirkecioglu Okan , Ulgen Mert , Coskun Goknil P. , Yarim Mine , Gazi Mustafa , Gulcan Hayrettin O. 
Published: January 2021

AbstractA series of urolithin amide (i.e., URO‐4–URO‐10 and THU‐4–THU‐10) derivatives was designed and synthesized, and their chemical structures were confirmed with spectroscopic techniques and elemental analysis. The title compounds and synthesis intermediates (THU‐1–THU‐10 and URO‐1–URO‐10) were evaluated for their potential to inhibit acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), and monoamine oxidase B (MAO‐B). Compounds THU‐4 and THU‐8 were found to be the most potent inhibitors for the cholinesterases and MAO‐B, respectively. The docking studies were also employed to evaluate the binding modes of the most active compounds with AChE, BuChE, and MAO‐B. Furthermore, the moderate‐to‐strong activities of the compounds were also displayed in amyloid‐beta inhibition and antioxidant assay systems. The results pointed out that the urolithin scaffold can be employed in drug design studies for the development of multitarget ligands acting on various cascades shown to be important within the pathophysiology of Alzheimer's disease.
The objects in observations of Perseus cluster region
Authors: Sinitsyna Vera G. , Sinitsyna Vera Yu. 
Published: January 2021

AbstractThe results of 20‐year observations of the Perseus cluster centering on the NGC 1275 including IC 310 radio galaxy and extragalactic supernova SN 2006gy at energies 800 GeV to 45 TeV by the SHALON telescope are presented. Also, the emission from the galactic source of non‐thermal radio and X‐ray emission GK Per (Nova 1901) of classical nova type was found as it accompanied to the observations. For NGC 1275, it was found that the TeV γ‐ray emission at energies >800 GeV has an extended structure with a distinct core centered at the NGC 1275 nucleus and well correlates with the photon emission regions viewed in X‐rays by Chandra and anti‐correlates with radio‐structures. Also, the variations of TeV γ‐ray flux both at year‐ and day scales were found. The obtained data indicate that the part of TeV γ‐ray emission is generated by relativistic jets in the nucleus of NGC 1275. Whereas the presence of an extended structure around NGC 1275 and the slow rise of the γ‐ray flux is the evidence of the interaction of cosmic rays and magnetic fields generated in the jets at the galactic center with the gas of the Perseus cluster.
Comparing outcomes of general anesthesia and monitored anesthesia care during transcatheter aortic valve replacement: The Cleveland Clinic Foundation experience
Authors: Sammour Yasser , Kerrigan Jimmy , Banerjee Kinjal , Gajulapalli Rama Dilip , Lak Hassan , Chawla Sanchit , Andress Krystof , Gupta Neha , Unai Shinya , Svensson Lars G. , Yun James , Reed Grant W , Alfirevic Andrej , Sale Shiva , Mehta Anand , Krishnaswamy Amar , Skubas Nikolaos , Kapadia Samir 
Published: January 2021

AbstractBackgroundMonitored anesthesia care (MAC) has become more widely used during transcatheter aortic valve replacement (TAVR) to avoid the complications of general anesthesia (GA).MethodsWe included consecutive patients who underwent transfemoral‐TAVR at our institution between January 2012 and April 2017. We compared outcomes with GA versus MAC.ResultsOf 998 patients, MAC was used in 43.9%. MAC was associated with shorter procedural time (96.9 ± 30.9 vs. 135 ± 64.6 mins; p < .001), fluoroscopy time (20.4 ± 8.9 vs. 29 ± 18.7 mins; p < .001), lower contrast volume (45.5 ± 27 vs. 60.4 ± 43 cc; p < .001), and decreased radiation exposure (12,869 ± 8,099 vs. 20,630 ± 16,276 cGy‐cm2; p < .001). Patients who underwent MAC had a briefer median (IQR) intensive care unit stay [23.3 (21–24) vs. 23.4 (20.8–26) hrs; p < .001], and hospital stay [2 (2, 3) vs. 3 (2–6) days; p < .001], and were more frequently discharged to home (93.4% vs. 82.9%; p < .001). MAC was associated with lower mortality at 30 days (0.5% vs. 2.9%; log‐rank p = .012; adjHR 0.22, 95% CI 0.06–0.82; p = .024), but not at 1 year (11.7% vs. 14.6%; log‐rank p = .157) or 3 years (36.8% vs. 38.4%; log‐rank p = 0.433). There were no differences in major adverse cardiac and cerebrovascular events (MACCE) at either 30 days (4.6% vs. 9.3%; log‐rank p = .14) or 1 year (21.1% vs. 21.5%; log‐rank p = .653). Similar findings were seen among patients who received newer‐generation SAPIEN‐3 valves.ConclusionUtilizing MAC and omitting intraprocedural transesophageal echocardiography during TAVR seems to be more efficient without compromising safety. Better TAVR outcomes can be achieved with newer generation valves without needing GA.
Huge carbuncle leading to necrotizing fasciitis in the COVID‐19 pandemic era
Authors: Gheisari Mehdi , Baghani Moein , Ganji Raziyeh , Forouzanfar Mohammad‐Mehdi 
Published: January 2021

AbstractAlthough Necrotizing fasciitis can evolve from a trivial lesion, whenever it develops it requires a prompt surgical intervention and broad‐spectrum antibiotic therapy.
Titanium Complexes with Functional Alkoxido Ligands for Selective Ethylene Dimerization – A High Throughput Experimentation Approach
Authors: Grasset Fabien L. , Welter Richard , Braunstein Pierre , Olivier‐Bourbigou Hélène , Magna Lionel 
Published: January 2021

AbstractNew titanium complexes of general formula [Ti(OR)2(OiPr)2], containing functionalized alkoxido ligands, were developed for the selective catalytic dimerization of ethylene to 1‐butene using a combined High Throughput Screening (HTS) / Design of Experiment (DoE) approach. First, a library of 19 ligands was elaborated and a primary screening spotted the phosphorus‐functionalized alkoxido ligands as most promising. A second, more focused library containing 8 alkoxidophosphane ligands was then developed. A longer linear spacer between the alkoxido and the phosphorus functions, as in [Ti(19)2(OiPr)2], was found beneficial for this catalytic reaction. After identification of the best co‐catalyst (AlEt3) and co‐ligand (OnBu), final optimization of the reaction conditions was performed using a design of experiments (DoE) approach. The complex [Ti(19)2(OnBu)2] was shown to selectively dimerize ethylene in 1‐butene (C4(α)=93 % (99+%)) at 30 bar C2H4 and 55 °C with AlEt3 as co‐catalyst, resulting in very high activity and selectivity for a molecular titanium catalyst (13000 g gTi−1 h−1, 93 % 1‐butene).
Population Pharmacokinetics of Tofacitinib in Patients With Moderate to Severe Ulcerative Colitis
Authors: Vong Camille , Martin Steven W. , Deng Chenhui , Xie Rujia , Ito Kaori , Su Chinyu , Sandborn William J. , Mukherjee Arnab 
Published: January 2021

AbstractTofacitinib is an oral, small molecule Janus kinase inhibitor for the treatment of ulcerative colitis (UC). We characterized tofacitinib pharmacokinetics in patients with moderate to severe UC, and the effects of covariates on variability in pharmacokinetic parameter estimates. Data were pooled from 1 8‐week phase 2 and 2 8‐week phase 3 induction studies, and a 52‐week phase 3 maintenance study (N = 1096). Population pharmacokinetic analysis was conducted using nonlinear mixed‐effects modeling. Potential predictors of apparent oral clearance (CL/F) and volume of distribution (V/F) were evaluated. The PK was described by a 1‐compartment model parameterized in terms of CL/F (26.3 L/hour [h]) and V/F (115.8 L), with first‐order absorption (Ka; 9.85 h−1) and lag time (0.236 h). The derived elimination half‐life was approximately 3.05 h. In the final model, baseline creatinine clearance, sex, and race (Asian vs non‐Asian) were significant covariates for CL/F; significant covariates for V/F were age, sex, and body weight; baseline albumin and baseline Mayo score were not significant covariates. CL/F between‐patient variability was estimated at 22%. Tofacitinib exposure did not change significantly over the duration of induction/maintenance treatment in patients with UC. Although statistically significant covariate effects on CL/F and V/F were observed, the magnitude of the effects are not clinically significant. Therefore, dose adjustment/restrictions for age, body weight, sex, race, or baseline disease severity are not required during tofacitinib treatment. ClinicalTrials.gov numbers: NCT00787202, NCT01465763, NCT01458951, NCT01458574.
Hybrid feature selection model based on relief‐based algorithms and regulizer algorithms for cancer classification
Authors: Manhrawy Ibrahim I.M. , Qaraad Mohammed , El‐Kafrawy Passent 
Published: January 2021

SummaryCancer is a group of diseases that involve abnormal cell growth with the potential to spread to other parts of the body. Cancer microarray data usually include a small number of samples with a large number of gene expression levels as features. Gene expression or microarray is a technology that monitors the expression of the large number of genes in parallel that make it useful in cancer classification, high dimensionality in cancer microarray data results in the overfitting problem. This article proposes novel hybrid feature selection model called the RBARegulizer model, which is based on two types of feature selection techniques, two RBAs algorithms (ReliefF, MultiSURF) for feature‐ranking filters to the most important one's genes, and three regulizer algorithms (Lasso, Elastic Net, Elastic Net CV) to reduce the feature subset, remove the noisy and irrelevant feature to improve the performance and accuracy of cancer (microarray) data classification. For evaluating the model, the different three classifiers SVM, MLP, and random forest with four high‐dimensional microarray data for different cancer types were applied. The experimental type shows that our model overcomes the overfitting problem of cancer microarray data. Moreover, the results show that RBARegulizer model is perfect in improving the accuracy of cancer microarray data classification.
Investigating memory prefetcher performance over parallel applications: From real to simulated
Authors: Girelli Valéria S. , Moreira Francis B. , Serpa Matheus S. , Carastan‐Santos Danilo , Navaux Philippe O. A. 
Published: January 2021

AbstractMemory prefetcher algorithms are widely used in processors to mitigate the performance gap between the processors and the memory subsystem. The complexities behind the architectures and prefetcher algorithms, however, not only hinder the development of accurate architecture simulators, but also hinder understanding the prefetcher's contribution to performance, on both a real hardware and in a simulated environment. In this paper, we contribute to shed light on the memory prefetcher's role in the performance of parallel High‐Performance Computing applications, considering the prefetcher algorithms offered by both the real hardware and the simulators. We performed a careful experimental investigation, executing the NAS parallel benchmark (NPB) on a real Skylake machine, and as well in a simulated environment with the ZSim and Sniper simulators, taking into account the prefetcher algorithms offered by both Skylake and the simulators. Our experimental results show that: (i) prefetching from the L3 to L2 cache presents better performance gains, (ii) the memory contention in the parallel execution constrains the prefetcher's effect, (iii) Skylake's parallel memory contention is poorly simulated by ZSim and Sniper, and (iv) Skylake's noninclusive L3 cache hinders the accurate simulation of NPB with the Sniper's prefetchers.
Implantable Optofluidic Systems for Wireless In Vivo Photopharmacology
Authors: Qazi Raza , Yeon Kim Choong , Kang Inho , Binazarov Dauren , McCall Jordan G. , Jeong Jae‐Woong 
Published: January 2021

AbstractThe front cover artwork is provided by the Jeong Group at the School of Electrical Engineering at Korea Advanced Institute of Science and Technology (KAIST; South Korea). The image illustrates an ultrathin, soft and biocompatible optofluidic probe, which can deliver both light and drugs for in vivo photopharmacology. Read the full text of the Minireview at 10.1002/cptc.2020000217.
Investigation of dental elastomers as oral mucosa simulant materials
Authors: Choi Joanne Jung Eun , Chen Shiyao , Waddell John Neil 
Published: January 2021

AbstractObjectiveTo measure mechanical properties of dental soft liners in tensional stress to identify their suitability as human oral mucosa simulant materials.MethodsEleven different dental elastomers were subjected to tensile testing to obtain their tensile strength and elastic moduli (n = 15/group) according to the ISO‐527 method. Fractured surfaces of one specimen per sample group were examined under the light microscope and scanning electron microscope (SEM). Energy‐dispersive X‐ray spectroscopy (EDS) was performed for the elemental analysis or chemical characterization of each sample group. The obtained data were quantitatively and qualitatively analysed. They were also statistically analysed using SPSS version 25.ResultsThe tensile strength of dental elastomers ranged from 0.43 MPa (±0.09) to 7.41 MPa (±1.11) and had statistically significant differences between tested groups (p = 0.001). Vertex soft heat‐cure soft liner, GC impression silicones and Silagum soft liners were found to have tensile strengths close to that of the oral mucosa reported by previous studies. SEM analysis revealed that the elastomers with higher filler contents showed rough fractured surface with plucking of particles after tensile fracture.ConclusionThis is the first study assessing the suitability of dental elastomers as human oral mucosa simulant materials which can be used for in vitro, mathematical modeling and finite element analysis (FEA) to study masticatory force distribution in oral mucosa. Out of 11 studied, six (Vertex Soft, GC heavy and Light body, Molloplast B, Algin X Ultra and Exaclear) dental elastomers showed similar mechanical properties to the Theil embalmed gingival tissues. Vertex Soft, GC Light body, and Molloplast B may be used for the majority of oral mucosal model when considering tensile strength as the primary factor for mechanical stimulation.
Investigation of Sr0.7Ca0.3FeO3 Oxygen Carriers with Variable Cobalt B‐Site Substitution
Authors: Popczun Eric J. , Jia Ting , Natesakhawat Sittichai , Marin Chris M. , Nguyen‐Phan Thuy‐Duong , Duan Yuhua , Lekse Jonathan W. 
Published: January 2021

AbstractA‐site and B‐site substitutions are effective methods towards improving well‐studied oxygen carrier materials that are vital for emerging gasification technologies. Such materials include SrFeO3, which greatly benefits from the inclusion of calcium and/or cobalt, and Sr0.8Ca0.2Fe0.4Co0.6O3 has been regarded as the best‐performing composition. In this study, systems with higher calcium and lower cobalt contents are investigated with a view to lessening the societal and economic burdens of these dual‐doped carriers. Density functional theory calculations are performed to illustrate the Fe−O bonding and relaxation contributions to the oxygen vacancy formation energy in Sr1‐xCaxFe1‐yCoyO3 systems (x=0.1875, 0.25, 0.3125; y=0.125, 0.25, 0.375, 0.5) and determine that increased calcium A‐site substitution requires the use of less cobalt B‐site doping to reach the same oxygen vacancy formation. These findings are experimentally validated in situ and ex situ characterization of bulk Sr0.7Ca0.3Fe1‐yCoyO3 materials. Sr0.7Ca0.3Fe0.7Co0.3O3 is found to have similar O2 adsorption/desorption rates and storage capacity to Sr0.8Ca0.2Fe0.4Co0.6O3 in air/N2 cycling experiments. Additionally, both materials are outperformed by Sr0.7Ca0.3Fe1‐yCoyO3 systems with y=0–0.10 at 400–500 °C, which cycle 1.5 wt% O2 in under ten minutes.