bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rating a robo‐rater
Authors: Nanigian David 
Published: September 2020

AbstractSince 2011, Morningstar has issued Morningstar Analyst Ratings on many of the largest mutual funds in the United States. In June 2017, Morningstar launched the Morningstar Quantitative Rating™ to provide a forward‐looking rating on all mutual funds. Morningstar uses a “robo‐rater” machine‐learning model to assign Morningstar Quantitative Ratings. However, the “robo‐rater” cannot utilize the complete set of information available to Morningstar's analyst as it cannot process “soft information.” The purpose of this study is to evaluate if and how this “robo‐rater” is conducive to mutual fund selection. I find no evidence that the “robo‐rater” offers value to investors beyond its assessment of mutual fund expenses and I find that its inability to process “soft information” makes the Morningstar Quantitative Rating™ much less useful than the Morningstar Analyst Rating™. I also examine the relationship between Morningstar Quantitative Rating™ and mutual fund flows and find that the “robo‐rater” has little to no influence on investors' choice of mutual funds.
Photochemistry with Chlorine Trifluoride: Syntheses and Characterization of Difluorooxychloronium(V) Hexafluorido(non)metallates(V), [ClOF2][MF6] (M=V, Nb, Ta, Ru, Os, Ir, P, Sb)
Authors: Scheibe Benjamin , Karttunen Antti J. , Weigend Florian , Kraus Florian 
Published: September 2020

AbstractA photochemical route to salts consisting of difluorooxychloronium(V) cations, [ClOF2]+, and hexafluorido(non)metallate(V) anions, [MF6]− (M=V, Nb, Ta, Ru, Os, Ir, P, Sb) is presented. As starting materials, either metals, oxygen and ClF3 or oxides and ClF3 are used. The prepared compounds were characterized by single‐crystal X‐ray diffraction and Raman spectroscopy. The crystal structures of [ClOF2][MF6] (M=V, Ru, Os, Ir, P, Sb) are layer structures that are isotypic with the previously reported compound [ClOF2][AsF6], whereas for M=Nb and Ta, similar crystal structures with a different stacking variant of the layers are observed. Additionally, partial or full O/F disorder within the [ClOF2]+ cations of the Nb and Ta compounds occurs. In all compounds reported here, a trigonal pyramidal [ClOF2]+ cation with three additional Cl⋅⋅⋅F contacts to neighboring [MF6]− anions is observed, resulting in a pseudo‐octahedral coordination sphere around the Cl atom. The Cl−F and Cl−O bond lengths of the [ClOF2]+ cations seem to correlate with the effective ionic radii of the MV ions. Quantum‐chemical, solid‐state calculations well reproduce the experimental Raman spectra and show, as do quantum‐chemical gas phase calculations, that the secondary Cl⋅⋅⋅F interactions are ionic in nature. However, both solid‐state and gas‐phase quantum‐chemical calculations fail to reproduce the increases in the Cl−O bond lengths with increasing effective ionic radius of M in [MF6]− and the Cl−O Raman shifts also do not generally follow this trend.
Single‐Step Glycosylations with 13C‐Labelled Sulfoxide Donors: A Low‐Temperature NMR Cartography of the Distinguishing Mechanistic Intermediates
Authors: Santana Andrés G. , Montalvillo‐Jiménez Laura , Díaz‐Casado Laura , Mann Enrique , Jiménez‐Barbero Jesús , Gómez Ana M. , Asensio Juan Luis 
Published: September 2020

AbstractGlycosyl sulfoxides have gained recognition in the total synthesis of complex oligosaccharides and as model substrates for dissecting the mechanisms involved. Reactions of these donors are usually performed under pre‐activation conditions, but an experimentally more convenient single‐step protocol has also been reported, whereby activation is performed in the presence of the acceptor alcohol; yet, the nature and prevalence of the reaction intermediates formed in this more complex scenario have comparatively received minimal attention. Herein, a systematic NMR‐based study employing both 13C‐labelled and unlabelled glycosyl sulfoxide donors for the detection and monitoring of marginally populated intermediates is reported. The results conclusively show that glycosyl triflates play a key role in these glycosylations despite the presence of the acceptor alcohol. Importantly, the formation of covalent donor/acceptor sulfonium adducts was identified as the main competing reaction, and thus a non‐productive consumption of the acceptor that could limit the reaction yield was revealed.
Development of a Transformation Model – Modularization Step by Step
Authors: Jürgensmeyer Nikolas , Osenberg Dennis , Reitze Arnulf , Riese Julia , Lier Stefan 
Published: September 2020

AbstractSeit einigen Jahren begegnet die Prozessindustrie den Herausforderungen der Märkte durch modulare Produktions‐ und Logistikkonzepte. Der vorliegende Beitrag stellt diesen Entwicklungsprozess in Form eines vierstufigen Transformationsmodells dar. Es wird gezeigt, dass der Weg hin zu modularen Produktionsumgebungen schrittweise erfolgen kann. Das Motto lautet „Evolution statt Revolution“. Es wird zunächst ein Überblick über den Stand der Technik modularisierter Produktions‐ und Logistiksysteme gegeben. Darauf aufbauend beschreibt und klassifiziert der Beitrag die vier unterschiedlichen Stufen der Modularisierung.
Clinical outcomes of carbon‐ion radiotherapy for patients with locoregionally recurrent nasopharyngeal carcinoma
Authors: Hu Jiyi , Huang Qingting , Gao Jing , Guan Xiyin , Hu Weixu , Yang Jing , Qiu Xianxin , Chen Mingyuan , Kong Lin , Lu Jiade J. 
Published: September 2020

BackgroundReirradiation for locoregionally recurrent nasopharyngeal carcinoma (LR‐NPC) after high‐dose radiotherapy (RT) is challenging and usually is associated with poor survival and severe toxicities. Because of its physical and biological advantages over photon‐beam RT, carbon‐ion RT (CIRT) could be a potential treatment option for patients with LR‐NPC.MethodsPatients with LR‐NPC who underwent salvage therapy using CIRT at the Shanghai Proton and Heavy Ion Center between May 2015 and June 2019 were analyzed. CIRT doses were 50 to 69 gray equivalent (GyE) (2.0‐3.0 GyE per fraction). Overall survival (OS), local control, regional control, distant control, and acute and late toxicities were analyzed. Univariable and multivariable analyses of OS and local control were performed using the Cox regression model.ResultsAmong the 206 patients included, 139 patients (67.5%) had recurrent American Joint Committee on Cancer stage III or stage IV disease. With a median follow‐up of 22.8 months, the 2‐year OS, local control, regional control, and distant control rates were 83.7%, 58.0%, 87.3%, and 94.7%, respectively. Multivariable analysis revealed that older age (P = .017) was predictive of worse OS, whereas a larger tumor volume (P = .049) and a lower biological equivalent dose (P = .029) were associated with inferior local control. No patient developed an acute toxicity of ≥grade 3 during CIRT. Severe (≥grade 3) late toxicities included temporal lobe necrosis (0.97%), cranial neuropathy (0.49%), hearing loss (1.46%), xerostomia (0.49%), and mucosal necrosis (16.02%) (toxicities were graded using the Radiation Therapy Oncology Group and European Organization for Research and Treatment of Cancer criteria).ConclusionsSalvage treatment using CIRT is efficacious for patients with LR‐NPC and its toxicities are acceptable. CIRT may improve the survival and toxicity profiles substantially for patients with LR‐NPC compared with the reported results after photon‐based intensity‐modulated RT.
Tuning Single‐atom Pt1−CeO2 Catalyst for Efficient CO and C3H6 Oxidation: Size Effect of Ceria on Pt Structural Evolution
Authors: Tan Wei , Alsenani Hatim , Xie Shaohua , Cai Yandi , Xu Peng , Liu Annai , Ji Jiawei , Gao Fei , Dong Lin , Chukwu Ewa , Yang Ming , Liu Fudong 
Published: September 2020

AbstractTo reveal the effect of ceria particle size on dispersion and structure of supported Pt catalysts during preparation, activation, and reaction testing, a unique CeO2/Al2O3 support (CA−c) with smaller CeO2 particle size and more surface defects was prepared using a colloidal CeO2 precursor, comparing with a conventional CeO2/Al2O3 support (CA−n) using cerium nitrate as precursor. More atomically dispersed Pt and abundant Pt−O−Ce structures were observed in the Pt/CA−c catalyst than in the Pt/CA−n catalyst. Both parent catalysts received significant enhancement on their catalytic CO oxidation activities if activated by 10% hydrogen at 400 °C before reaction. Between the two representative catalysts, the extent of activity enhancement upon activation was more pronounced for Pt/CA−c. We found that smaller Pt clusters with more active ionic Pt sites were generated on the activated Pt/CA−c catalyst, while agglomerated larger Pt particles with more metallic sites were formed on the activated Pt/CA−n. The facile formation of Ce3+ was also indicative of more active metal‐support interfaces in the activated Pt/CA−c catalyst. These results highlight the importance of regulating ceria support particles to enable a controlled anchoring and subsequent activation of Pt single atoms for low‐temperature CO oxidation reaction.
Computing integrals for electron molecule scattering on heterogeneous accelerator systems
Authors: Gillan Charles J. , Spence Ivor 
Published: September 2020

SummaryUsing heterogeneous accelerators to obtain high performance for mathematical kernels remains an active research frontier in computational science. The accelerators have compute architectures that are different from the CPUs and in addition have memory spaces independent of the CPU systems to which they are connected. It follows that accelerators require a different approach to writing optimal code than that needed on a multi‐CPU system. Taken together these issues have represented a significant barrier to widespread adoption of accelerators for execution with large legacy code bases. OpenCL has emerged as a common programming language with which to implement code that runs across a range of parallel architectures, including multi‐core CPUs. This article is a case study on how the instruction‐level parallelism offered by field programmable gate arrays (FPGAs) and GPUs through OpenCL can be exploited in molecular physics. The algorithm which we study is the evaluation of tail integrals between Gaussian type basis functions for the R‐matrix method, a task that arises in the study of scattering of low energy electrons by molecular targets. The results of our productivity study, which is the first application of OpenCL in this problem domain, show that significant performance can be obtained from both FPGA and graphics processing unit (GPU) accelerators for this application. We discuss suitable transformations unique to each accelerator architecture for the integrals studied and present performance results comparing the FPGA and GPU with execution on Intel multi‐core systems.
A Non‐Dominated Sorting Genetic Algorithm‐II‐based approach to optimize the spectral and spatial quality of component substitution‐based pansharpened images
Authors: Yilmaz Volkan 
Published: September 2020

SummaryPansharpening aims to fuse a lower‐resolution multispectral (MS) image and a higher‐resolution panchromatic image, resulting in an image with the color quality of the former and spatial detail quality of the latter. Of all, the component substitution (CS)‐based pansharpening methods have drawn attentions with their ability to produce sharp images. Despite their success in sharpening the images, these methods deteriorate the color features of the input MS images due of the uncertainty in the calculation of the intensity component used by them. Previous studies showed that attempts to preserve the color features tend to cause spatial detail loss to a certain extent. This, of course, reveals the necessity of a compromise between the spectral and spatial fidelity of the pansharpened images produced by the CS‐based techniques. This study proposed using the multi‐objective Non‐Dominated Sorting Genetic Algorithm‐II metaheuristic algorithm with the CS‐based methods to optimize the intensity component to find the best compromise between the spectral and spatial fidelity of the pansharpened images. The proposed framework was applied on two commonly used pansharpening techniques, Gram‐Schmidt and Synthetic Variable Ratio. It was found that the proposed methods managed to find the best balance between the color and spatial fidelity.
Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18‐Hexaazatrinaphthylene‐Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry
Authors: Markovic Aleksandra , Gerhards Luca , Sander Pia , Dosche Carsten , Klüner Thorsten , Beckhaus Rüdiger , Wittstock Gunther 
Published: September 2020

AbstractMultinuclear transition metal complexes bridged by ligands with extended π‐electronic systems show a variety of complex electronic transitions and electron transfer reactions. While a systematic understanding of the photochemistry and electrochemistry has been attained for binuclear complexes, much less is known about trinuclear complexes such as hexaphenyl‐5,6,11,12,17,18‐hexaazatrinaphthylene‐tristitanocene [(Cp2Ti)3HATN(Ph)6]. The voltammogram of [(Cp2Ti)3HATN(Ph)6] shows six oxidation and three reduction waves. Solution spectra of [(Cp2Ti)3HATN(Ph)6] and of the electrochemically formed oxidation products show electronic transitions in the UV, visible and the NIR ranges. Density functional theory (DFT) and linear response time‐dependent DFT show that the three formally titanium(II) centers transfer an electron to the HATN ligand in the ground state. The optically excited transitions occur exclusively between ligand‐centered orbitals. The charged titanium centers only provide an electrostatic frame to the extended π‐electronic system. Complete active self‐consistent field (CASSCF) calculation on a structurally simplified model compound, which considers the multi‐reference character imposed by the three titanium centers, can provide an interpretation of the experimentally observed temperature‐dependent magnetic behavior of the different redox states of the title compound in full consistency with the interpretation of the electronic spectra.
Prominence of the Instability of a Stabilizing Agent in the Changes in Physical State of a Hybrid Nanomaterial
Authors: Spataro Grégory , Champouret Yohan , Coppel Yannick , Kahn Myrtil L. 
Published: September 2020

AbstractShaping ability of hybrid nanomaterials is a key point for their further use in devices. It is therefore crucial to control it. To this end, it is necessary that the macroscopic properties of the material remain constant over time. Here, we evidence by multinuclear Magic‐Angle Spinning Nuclear Magnetic Resonance spectroscopic study including 17O isotope exchange that for a ZnO‐alkylamine hybrid material, the partial carbonation of amine into ammonium carbamate molecules is behind the conversion from highly viscous liquid to a powdery solid when exposed to air. This carbonation induces modification and reorganization of the organic shell around the nanocrystals and affects significantly the macroscopic properties of the material such as it physical state, its solubility and colloidal stability. This study, straightforwardly extendable, highlights that the nature of the functional chemical group allowing connecting the stabilizing agent (SA) to the surface of the nanoparticles is of tremendous importance especially if the SA is reactive with molecules present in the environment.
Hydrogen Bonding Optimizes Singlet Fission in Carboxylic Acid Functionalized Anthradithiophene Films
Authors: Gish Melissa K. , Thorley Karl J. , Parkin Sean R. , Anthony John E. , Johnson Justin C. 
Published: September 2020

AbstractThe rate of singlet fission, the process of generating two triplet excitons with photoexcitation of one singlet exciton, depends on a combination of singlet/triplet energy balance and intermolecular coupling. Here, we perform carboxylic acid functionalization of anthradithiophene (ADT) derivatives that results in hydrogen bonds that drive molecular orientation and strong electronic coupling of polycrystalline ADT thin films, leading to ultrafast singlet fission without significant enthalpic driving force. ADT with a single carboxylic acid group exhibits weak intermolecular coupling and slow and inefficient singlet fission, much like the parent ADT, and substitution of different alkylsilyl solubilizing groups has little effect. However, the addition of two carboxylic acid groups on either end of the long axis favors significant coupling and crystallinity in as‐deposited thin films that increase the effective singlet fission rate by roughly three orders of magnitude. The properties of the triplet pair, particularly its propensity to form long‐lived independent triplets, are also influenced by the degree of long‐range intermolecular coupling. The enhancement of intermolecular coupling specific to singlet fission using the ubiquitous cyclic hydrogen bonding motif could impact triplet pair utilization schemes in a variety of contexts.
Fluorescence Imaging of Mammalian Cells with Cationic Conjugated Polyelectrolytes
Authors: Wang Shanshan , Jagadesan Pradeepkumar , Sun Han , Hu Rong , Li Zhiliang , Huang Yun , Liu Libing , Wang Shu , Younus Muhammad , Schanze Kirk S. 
Published: September 2020

AbstractFluorescence imaging using poly(phenylene ethynylene) (PPE) based conjugated polyelectrolytes (CPEs) has garnered considerable attention in the recent past due to their remarkable photophysical properties. In this report, we studied the fluorescence imaging properties of a set of six PPE‐based CPEs appended with side chains varying in structure and number of cationic charges. The photophysical and aggregation features of the CPEs depend on the overall charge density on the polymer in water. The cytotoxicity of the CPEs was evaluated against MCF‐7 mammalian cells, which revealed that polyelectrolytes with less cationic charge are less cytotoxic and vice versa. Confocal laser scanning microscopy (CLSM) studies showed that all the CPEs could efficiently penetrate into the MCF‐7 cells after 10 h of incubation. The transit of CPEs into the lysosomes was confirmed by comparison with the uptake of LysoTracker Red DND‐99 dye, which also revealed that the polyelectrolytes are highly photostable. We also demonstrated that the imidazolium‐functionalized CPEs could selectively stain bacteria over mammalian cells, suggesting the importance of CPEs for clinical applications.
Integrating nitrogen and water‐soluble carbohydrates dynamics in maize: A comparison of hybrids from different decades
Authors: Fernandez Javier A. , Messina Carlos D. , Rotundo José L. , Ciampitti Ignacio A. 
Published: September 2020

AbstractDuring a century of maize (Zea mays L.) breeding, yield genetic gain was largely determined by increased reproductive resilience under stress and establishment of sink size (number of grains per unit area). Considering grains as competing sinks for C and N assimilates, understanding changes in the C and N economy can provide insights to define selection criteria towards a sustained yield improvement. A cognitive framework to define such criteria may consist in connecting the water‐soluble carbohydrates (WSC) and N dynamics in stem and leaves with the reproductive sink strength during post‐flowering. The objectives of this study were to advance such framework by (a) quantifying grain N demand and remobilization capacity in two hybrids as affected by N availability, and (b) formalizing how the interplay between N and WSC remobilization influence grain growth. Single cross hybrids 3394 and P1197 (released in 1991 and 2014) were evaluated to represent keystone phases of germplasm development (conventional and molecular breeding eras). P1197 outyielded 3394 consistently under high N supply, and its better N utilization efficiency was reflected through a lower grain N concentration. Under high N, the ability to maintain a greater leaf area during late grain‐filling for P1197 resulted in a reduced leaf N remobilization. Although yield was not limited by C supply, 3394 exposed greater remobilization of WSC during late grain‐filling. This study contributes to advance the development of a relevant C to N framework to further analyze drivers of genetic yield gain and assist in selection strategies in maize.
Nanosatellite electrical power system architectures: Models, simulations, and tests
Authors: Kessler Slongo Leonardo , Vega Martínez Sara , Vale Barbosa Eiterer Bruno , Augusto Bezerra Eduardo 
Published: September 2020

SummaryThis paper presents four of the most employed nanosatellite's Electrical Power System (EPS) architectures, comparing their efficiency through simulations and experiments. Every circuit architecture has been mathematically modeled in order to discuss the solar panel control technique and the overall architecture efficiency. Solar panels and EPS components have been analytically modeled and tested in order to comprehend their impact on the EPS efficiency. A test stand has been proposed to evaluate the circuits, emulating the solar irradiance and the nanosatellite power consumption. The following electrical power systems have been designed, implemented, and tested: the directly coupled architecture, the very low dropout (VLDO) voltage regulator architecture, the maximum power point tracking (MPPT) with an integrated circuit, and the MPPT architecture with a discrete boost regulator. A case study has been presented, testing all the EPS architectures according to the Floripa‐Sat I (1U CubeSat) power consumption profile. Experiments results have shown that, although the MPPT boost regulator architecture harvest more energy, it is the VLDO architecture that presents the best overall efficiency.
Flexible fingerprint sensor driver IC and bendable evaluation
Authors: Chang Ming‐Chiu , Lin Wei‐Cheng 
Published: September 2020

SummaryThe paper presents a flexible polyimide fingerprint sensor driver IC driven by a 0.18‐μm CMOS technology and studies the sensor bendable performance. The finger valley and ridge are sensitive to environment noise; therefore, we propose low‐ripple cross non‐overlap charge pump that performs 7.2 V pumped output voltage with Δ30 mV ripple and 98.36% pump efficiency to increase the sensing level and propose mutual Vref SAR ADC circuit with 6.6 V input swing range, 30 MS/s, ENOB of 10 bits, SNDR 74.1 dB, and bit error with INL [0.61, −0.7] and DNL [0.9, −0.62] to enhance the resolution. Through low‐ripple charge pump and mutual Vref SAR ADC circuitry implementation, it makes the sensing of fingerprint valley and ridge capacitance signal still distinguishable when the film is bent harshly by the substrate radius 10 mm and, in the meanwhile, meet the FBI PIV biometric fingerprint image quality, which is upmost tough standard in biometric fingerprint of identification product.