bluuebunny/crossref_metadata_2025_split huggingface dataset:
Edge‐Functionalized Nanographenes
Authors: Sekiya Ryo , Haino Takeharu 
Published: August 2020

AbstractNanographenes (NGs) have recently emerged as new carbon materials. Their nanoscale size results in a size‐dependent quantum confinement effect, opening the band gap by a few eV. This energy gap allows NGs to be applied as optical materials. This property has attracted researchers across multiple scientific fields. The photophysical properties of NGs can be manipulated by introducing organic groups onto their basal planes and/or into their edges. In addition, the integration of organic functional groups into NGs results in NG‐based hybrid materials. These features make the post‐synthetic modification of NGs an active research area. As obtainable information on chemically functionalized NGs is limited owing to their nonstoichiometry and structural uncertainty, their structural characterization requires a combination of multiple spectroscopic methods. Therefore, information on the characterization procedures of recently published chemically functionalized NGs is of value for advancing the field of NG‐based hybrid materials. The present review focuses on the structural characterization of chemically functionalized NGs. It is hoped that this review will help to advance this field.
Three‐Dimensional Cubic and Dice‐Like Microstructures of Higher Fullerene C78with Enhanced Photoelectrochemical and Photoluminescence Properties
Authors: Jannatun Nahar , Chen Ning , Yu Pengyuan , Shen Wangqiang , Lu Xing 
Published: August 2020

AbstractThe single‐crystal micro/nanostructures of fullerene species, namely C60and C70, have been previously studied, but studies on the morphology and properties of higher fullerenes have rarely been reported due to the limited amount of samples and their ellipsoidal isomeric structures. Herein, we report the formation of three‐dimensional (3D) micro‐cubes and micro‐dice of a higher fullerene (C78) via a facile liquid–liquid interfacial precipitation (LLIP) method. The micro‐cubes were prepared by regulating the concentration of C78in trimethylbenzene (TMB) and the volume ratio of TMB and isopropanol. Interestingly, the micro‐cubes are transformed into micro‐dice with an open‐hole on each crystal face by simply shaking the solution. X‐ray diffraction and Fourier‐transform infrared spectroscopic studies revealed a simple cubic unit cell with a lattice constant of 10.6 Å and intercalated TMB molecules in both crystals. The C78cubic and dice‐like microstructures exhibited enhanced photoelectrochemical and photoluminescence properties compared with pristine C78powder, indicating their potential applications as photodetectors and photoelectric devices.
Catalytic Chemoselective Sulfimidation with an Electrophilic [CoIII(TAML)]−‐Nitrene Radical Complex**
Authors: van Leest Nicolaas P. , van der Vlugt Jarl Ivar , de Bruin Bas 
Published: August 2020

AbstractThe cobalt species PPh4[CoIII(TAMLred)] is a competent and stable catalyst for the sulfimidation of (aryl)(alkyl)‐substituted sulfides with iminoiodinanes, reaching turnover numbers up to 900 and turnover frequencies of 640 min−1 under mild and aerobic conditions. The sulfimidation proceeds in a highly chemoselective manner, even in the presence of alkenes or weak C−H bonds, as supported by inter‐ and intramolecular competition experiments. Functionalization of the sulfide substituent with various electron‐donating and electron‐withdrawing arenes and several alkyl, benzyl and vinyl fragments is tolerated, with up to quantitative product yields. Sulfimidation of phenyl allyl sulfide led to [2,3]‐sigmatropic rearrangement of the initially formed sulfimide species to afford the corresponding N‐allyl‐S‐phenyl‐thiohydroxylamines as attractive products. Mechanistic studies suggest that the actual nitrene transfer to the sulfide proceeds via (previously characterized) electrophilic nitrene radical intermediates that afford the sulfimide products via electronically asynchronous transition states, in which SET from the sulfide to the nitrene radical complex precedes N−S bond formation in a single concerted process.
Zu Land und zu Wasser
Authors: Kochenburger Nicole 
Published: August 2020

AbstractWeltweit wird immer mehr Erdöl und Erdgas unter zunehmend extremeren Bedingungen gefördert: zum Beispiel auf hoher See oder im vereisten Polarmeer. Sämtliche Anlagen, die an der Förderung beteiligt sind, müssen daher speziell für die widrigen Bedingungen
Lange Ausfallzeiten gehören der Vergangenheit an
Authors: Paschen Christian 
Published: August 2020

AbstractIn zahlreichen Branchen ist eine sichere und effiziente Dosierung von Chemikalien unabdingbar für eine moderne und ressourcenschonende Produktion. So auch in der Papierproduktion, in der Chemikalien unter anderem als Papier‐Additive oder Prozesshilfsmitte
Das Pumpenschutzventil
Authors: Dörseln Kai 
Published: August 2020

AbstractDer neue Pumpenschutz‐Ventiltyp Schroeder Intermediate Pressure (SIP) eignet sich für Drücke von 140 bis 250 bar, vor allem in Anlagen mit häufigem Betrieb im Mindestmengenbereich der Pumpe. Sie kommt insbesondere in Kesselspeisewasserkreisläufen von Gas‐
An ontology‐based procedure knowledge framework for the process industry
Authors: Cao Jian , He Yan‐Lin , Zhu QunXiong 
Published: August 2020

AbstractProcess industry enterprises rely heavily on expert experience in production, and expert knowledge is stored in multiple formats like, pictures, texts, videos, etc. Several isolated islands of information or knowledge are formed, and they are difficult to store, share, and expand upon. Therefore, the same procedure appears multiple times in different application scenarios, such as optimization scheduling, optimization operation, or fault diagnosis. If redundant knowledge is paid too much attention, decision‐makers will not be able to comprehensively consider business knowledge. Thus, a novel framework is proposed for the process industry to manage procedure knowledge. This paper first divides the detailed procedure of process plants into four layers, that is, raw materials, intermediate materials, operation, and products based on the P‐graph theory, which involves virtual hierarchies, nodes, and operations. Second, the domain ontology‐based procedure knowledge model is constructed. Finally, two experimental cases, the Tennessee Eastman (TE) and the ethylene production process, are studied to verify the procedure knowledge framework (PKF). The PKF provides a useful foundation for the subsequent construction of a superstructure model based on the P‐graph theory and is different from the previous industrial process industrial ontology model. The PKF has a theoretical basis for simulation calculation and makes future work based on PKF more accurate and interpretable.
Chiral Nanoprobes and Their Biological Effects
Authors: Sun Maozhong , Li Si , Hao Changlong , Xu Chuanlai , Kuang Hua 
Published: August 2020

AbstractChirality is an essential property of nature. The emergence of chiral material in nanoscale has shown great promise in the investigation of biological interfaces, chiral optical devices, metamaterials and the origin of chirality. In the present study, we focused on fabricating chiral nanoprobes and their applications in living systems. Through precise synthesis or the self‐assembly of various chiral configurations, significant research achievements have been obtained by our group. In this brief introduction, we will discuss the recent progress of chiral nanostructures in the selective recognition of biomolecules, ultrasensitive detection and their interaction with living cells.
Performance characteristics of screening strategies to identify Lynch syndrome in women with ovarian cancer
Authors: Kim Soyoun Rachel , Tone Alicia , Kim Raymond H. , Cesari Matthew , Clarke Blaise A. , Eiriksson Lua , Hart Tae , Aronson Melyssa , Holter Spring , Lytwyn Alice , Maganti Manjula , Oldfield Leslie , Gallinger Steven , Bernardini Marcus Q. , Oza Amit M. , Djordjevic Bojana , Lerner‐Ellis Jordan , Van de Laar Emily , Vicus Danielle , Pugh Trevor J. , Pollett Aaron , Ferguson Sarah E. 
Published: August 2020

BackgroundFor women with ovarian cancer (OC), the optimal screening strategy to identify Lynch syndrome (LS) has not been determined. In the current study, the authors compared the performance characteristics of various strategies combining mismatch repair (MMR) immunohistochemistry (IHC), microsatellite instability testing (MSI), and family history for the detection of LS.MethodsWomen with nonserous and/or nonmucinous ovarian cancer were recruited prospectively from 3 cancer centers in Ontario, Canada. All underwent germline testing for LS and completed a family history assessment. Tumors were assessed using MMR IHC and MSI. The sensitivity, specificity, and positive and negative predictive values of screening strategies were compared with the gold standard of a germline result.ResultsOf 215 women, germline data were available for 189 (88%); 13 women (7%) had pathogenic germline variants with 7 women with mutS homolog 6 (MSH6); 3 women with mutL homolog 1 (MLH1); 2 women with PMS1 homolog 2, mismatch repair system component (PMS2); and 1 woman with mutS homolog 2 (MSH2). A total of 28 women had MMR‐deficient tumors (13%); of these, 11 had pathogenic variants (39%). Sequential IHC (with MLH1 promoter methylation analysis on MLH1‐deficient tumors) followed by MSI for nonmethylated and/or MMR‐intact patients was the most sensitive (92.3%; 95% confidence interval, 64%‐99.8%) and specific (97.7%; 95% confidence interval, 94.2%‐99.4%) approach, missing 1 case of LS. IHC with MLH1 promoter methylation analysis missed 2 patients of LS. Family history was found to have the lowest sensitivity at 55%.ConclusionsSequential IHC (with MLH1 promoter methylation analysis) followed by MSI was found to be most sensitive. However, IHC with MLH1 promoter methylation analysis also performed well and is likely more cost‐effective and efficient in the clinical setting. The pretest probability of LS is high in patients with MMR deficiency and warrants universal screening for LS.
Barriers to the early integration of palliative care in pediatric oncology in 11 Eurasian countries
Authors: Ehrlich Bella S. , Movsisyan Narine , Batmunkh Tsetsegsaikhan , Kumirova Ella , Borisevich Marina V. , Kirgizov Kirill , Graetz Dylan E. , McNeil Michael J. , Yakimkova Taisiya , Vinitsky Anna , Ferrara Gia , Li Chen , Lu Zhaohua , Kaye Erica C. , Baker Justin N. , Agulnik Asya ,   the Assessing Doctors' Attitudes on Palliative Treatment (ADAPT) Research Group
Published: August 2020

BackgroundThe early integration of palliative care significantly improves quality of life for children with cancer. However, cultural, structural, and socioeconomic barriers can delay the integration of palliative care into cancer care, particularly in low‐income and middle‐income countries. To date, little is known regarding the timing of and barriers to palliative care integration in Eurasia.MethodsThe Assessing Doctors' Attitudes on Palliative Treatment (ADAPT) survey evaluates physician perceptions regarding palliative care integration into pediatric oncology in Eurasia. This evidence‐based survey was adapted to the regional context; iteratively reviewed by US and regional panelists; and piloted in English, Russian, and Mongolian. After distribution to physicians caring for children with cancer, statistical analysis was complemented by qualitative analysis of open‐ended responses.ResultsA total of 424 physician responses were received from 11 countries in the Eurasian region. Study findings demonstrated wide variability in access to palliative care experts across countries (18%‐96%), with the majority of providers (64%) reporting that the initial palliative care consultation typically occurs when curative options are no longer available. Providers desired an earlier initial palliative care consultation than what currently occurs in their setting (P < .001). Primary barriers to timely consultation included limited access to palliative care services and specialists, lack of physician education, and perceived family resistance.ConclusionsThe current study is the first to identify physician perceptions of the delayed timing of palliative care integration into childhood cancer care and associated barriers in Eurasia. These findings will inform the development of targeted interventions to mitigate local structural and cultural barriers to access and facilitate earlier palliative care integration in the region.
LBMA and IMAR2: Weighted lottery based migration strategies for NUMA multiprocessing servers
Authors: Laso R. , Lorenzo O. G. , Rivera F. F. , Cabaleiro J. C. , Pena T. F. , Lorenzo J. A. 
Published: August 2020

SummaryMulticore NUMA systems present on‐board memory hierarchies and communication networks that influence performance when executing shared memory parallel codes. Characterizing this influence is complex, and understanding the effect of particular hardware configurations on different codes is of paramount importance. In this article, monitoring information extracted from hardware counters at runtime is used to characterize the behavior of each thread for an arbitrary number of multithreaded processes running in a multiprocessing environment. This characterization is given in terms of number of operations per second, operational intensity, and latency of memory accesses. We propose a runtime tool, executed in user space, that uses this information to guide two different thread migration strategies for improving execution efficiency by increasing locality and affinity without requiring any modification in the running codes. Different configurations of NAS Parallel OpenMP benchmarks running concurrently on multicore NUMA systems were used to validate the benefits of our proposal, in which up to four processes are running simultaneously. In more than the 95% of the executions of our tool, results outperform those of the operating system (OS) and produces up to 38% improvement in execution time over the OS for heterogeneous workloads, under different and realistic locality and affinity scenarios.
Inter‐Ligand Energy Transfer Process in an Ir‐Complex with Expanding π‐Conjugated Ligand
Authors: Hwang Jeongwook , Ahn Mina , Choi Jungkweon , Wee Kyung‐Ryang 
Published: August 2020

AbstractThe inter‐ligand energy transfer (ILET) process in heteroleptic iridium complex, [Ir(dfppy)2(bpy‐Im2)]+, where dfppy=2‐(2,4‐difluorophenyl)pyridine and bpy‐Im2=4,4’‐bis(1,2‐diphenyl‐1H‐benzo[d]imidazole)‐2,2’,‐bipyridine, was investigated using a femtosecond transient absorption (fs‐TA) spectroscopic technique. The photophysical properties of [Ir(dfppy)2(bpy‐Im2)]+ with significantly expanding π‐conjugated ligand are compared to those of [Ir(dfppy)2(bpy)]+ (bpy=2,2’‐bipyridine) and a free bpy‐Im2 ligand. The emission spectrum of [Ir(dfppy)2(bpy‐Im2)]+ shows no shift upon changing the solvent polarity, whereas the free ligand bpy‐Im2 showed bathochromic fluorescence shifts with increasing solvent polarity, which is attributed to intramolecular charge transfer (ICT). The unique photophysical properties of [Ir(dfppy)2(bpy‐Im2)]+ are due to the fast ILET process from 3MLCTdfppy to 3MLCT/3LCbpy‐Im2, resulting in the phosphorescence emission originating from 3MLCT/3LCbpy‐Im2. On the other hand, the TA bands of bpy‐Im2 are observed at 540 and 480 nm, corresponding to the singlet and triplet manifolds, respectively. In contrast, the TA spectrum of [Ir(dfppy)2(bpy‐Im2)]+ showes broad bands centered at 420 and 600 nm, attributed to the transitions from 3MLCTdfppy and 3MLCT/3LCbpy‐Im2, respectively. Time‐resolved spectroscopic results confirm the efficient ILET dynamics from 3MLCTdfppy to 3MLCT/3LCbpy‐Im2 in [Ir(dfppy)2(bpy‐Im2)]+. From the relaxation times determined by singular value decomposition analysis and simple sequential kinetic model, we infer that the ILET process from 3MLCTdfppy to 3MLCT/3LCbpy‐Im2 occurs with a time constant of ca. 4 ps. The presented results in this study show that the introduction of an expanding π‐conjugated ligand can lead to the efficient ILET dynamics for improving the OLED performance.
Characterization of Calcium Oxalate Hydrates and the Transformation Process
Authors: Valido Iris H. , Rius‐Bartra Joaquim M. , Boada Roberto , Resina‐Gallego Montserrat , Valiente Manuel , López‐Mesas Montserrat 
Published: August 2020

AbstractCalcium oxalate can be found in humans as kidney stones and in cultural heritage as films in two crystallographic species, dihydrate (COD/weddellite) and/or monohydrate (COM/whewellite). Due to its instability, COD is transformed into COM. Studying this crystalline conversion provides information about the origin of the monohydrated species, which will help in the assessment of prevention measurements to avoid their formation. In the present study, the synthesis of calcium oxalate hydrate microcrystals has been carefully performed to avoid mixture of phases in the final products; the long and short range order structure of both species have been studied by X‐ray diffraction (XRD) and X‐ray absorption spectroscopy (XAS), respectively. This structural information was considered in the density functional theory (DFT) computational study performed to assign the characteristic vibrational IR and Raman frequencies found. This detailed characterization allows an unambiguous assignment of the vibrations, thus providing the appropriate parameters required to monitor and characterize the transformation process.
Identification and validation of Fusarium head blight resistance QTL in the U.S. soft red winter wheat cultivar ‘Jamestown’
Authors: Carpenter Neal R. , Wright Emily , Malla Subas , Singh Lovepreet , Van Sanford David , Clark Anthony , Harrison Stephen , Murphy J. Paul , Costa Jose , Chao Shiaoman , Brown‐Guedira Gina L. , McMaster Nicole , Schmale David G. , Griffey Carl A. , Rawat Nidhi 
Published: August 2020

AbstractUse of genetic resistance is one of the most important strategies to manage the devastating disease Fusarium head blight (FHB) in wheat. Numerous quantitative trait loci (QTL) having varying effects on reducing FHB and the mycotoxin deoxynivalenol (DON) accumulation have been reported from Asian, European, or distant sources such as wild relatives of wheat (Triticum aestivum L.). However, coming from nonadapted backgrounds, the incorporation of such QTL into regional breeding programs has often resulted in the simultaneous transfer of other undesirable traits. Therefore, it is important to identify, characterize, and deploy sources of genetic resistance that do not suffer from poor adaptability and/or linkage drag. In the present work, QTL associated with FHB resistance in a high‐yielding, moderately resistant soft red winter wheat cultivar ‘Jamestown’ were mapped and validated. The QTL mapping was done using a recombinant inbred line (RIL) population of Pioneer ‘25R47’ × Jamestown having 186 individuals. Phenotyping over 2 yr at three locations, and genotyping using the 90K single nucleotide polymorphism (SNP) platform identified two new QTL, named QFHB.vt‐1B.1 and QFHB.vt‐1B.2, on the chromosome 1B long arm. The QTL contributed to FHB incidence, FHB severity, Fusarium‐damaged kernels, and DON content. Independent mapping of these QTL using two additional RIL populations of FG95195 × Jamestown (170 RILs) and Jamestown × LA97113UC‐124 (77 RILs) validated their stability and effectiveness in different genetic backgrounds. Kompetitive allele specific polymerase chain reaction (KASP) assays were developed using linked SNPs for marker‐assisted selection of the QTL. These QTL are being used in breeding programs to develop FHB‐resistant, high‐yielding varieties.
Performance of grain sorghum hybrids resistant to acetolactate synthase and acetyl coenzyme‐A carboxylase inhibitor herbicides
Authors: Weerasooriya Dilooshi , Gobena Dereje , Bandara Ananda , Dowell Floyd , Peiris Kamaranga , Bean Scott , Perumal Ramasamy , Adee Eric , Tesso Tesfaye 
Published: August 2020

AbstractAcreage under grain sorghum [Sorghum bicolor (L.) Moench] in the United States has sharply declined over the past several decades. Among the major causes are the lack of better postemergence weed control options. Farmers opt for crops and tools that allow better management of weeds, and sorghum is not one of them. The discovery of sources of resistance to acetolactate synthase (ALS) and acetyl‐coenzyme A carboxylase (ACCase) inhibitor herbicides in feral relatives of sorghum opened a new horizon for development of a resistance‐based weed control option for the crop. The objective of this study is to demonstrate the agronomic potential of sorghum hybrids resistant to ALS and ACCase inhibitor herbicides and shed light on concerns that deployment of resistance traits may cause yield drags. A total of 186 hybrids involving homozygous ALS resistant, homozygous ACCase resistant, heterozygous ALS and ACCase resistance, and conventional hybrids plus commercial checks were grown in three sets consisting of 68, 62 and 56 entries for Set I, Set II, and Set III, respectively. The experiments were conducted during the 2014 and 2015 season in three replications at Kansas State University Agronomy Research Farm near Manhattan, KS. Data were collected on plant height, maturity, yield, and yield components, as well as grain nutritional traits. The analysis of the data revealed that the resistance technology has no negative effect on agronomic adaptability, yield potential, and nutritional traits of grain sorghum.
The impact of the amount of environmental information disclosure on financial performance: The moderating effect of corporate internationalization
Authors: Yang Yi , Yao Congxu , Li Ying 
Published: August 2020

AbstractBased on the data of A‐share heavily polluting listed companies in China from 2010 to 2017, this study uses content analysis and multiple linear regression to investigate the effect of the amount of corporate environmental information disclosure on financial performance and the moderating effect of corporate internationalization on this relationship. The results confirm the significant negative impact of the amount of environmental information disclosure on financial performance, while corporate internationalization has a positive moderating effect on this relationship. The degree of regional marketization and corporate ownership influences this moderating effect. Thus, a mandatory disclosure mechanism with a legal basis and clear standards is necessary, but should include diverse policies and improved incentive mechanisms in light of the differences in regional development in China. In addition, international organizations should encourage companies to increase their international operations. The robustness test shows that the results are reliable.
An efficient hardware realization of EMD for real‐time signal processing applications
Authors: Das Kaushik , Pradhan Sambhu Nath 
Published: August 2020

SummaryThis paper presents a field‐programmable gate array (FPGA) and application‐specific integrated circuit (ASIC) based design for the real‐time implementation of empirical mode decomposition (EMD) algorithm. Here, at the beginning, register‐transfer‐level (RTL) design of EMD algorithm is developed in the form of verilog‐HDL code. Then, simulation‐based testing of the RTL design is done. In this paper, two envelope computation methods are proposed: one using linear Bezier curve (LBC) and the other using cubic spline interpolation (CSI). For ASIC, the verilog‐HDL code of EMD is synthesized using Genus tool of Cadence using SCL 180‐nm technology library and Innovus tool of Cadence is used for the layout design. The core area of the proposed EMD ASIC is 1.16 mm2 and can be operated at 62.5 MHz clock rate. The developed FPGA‐based EMD architecture can be operated at 50 MHz clock rate and up to 50 MHz sampling rate. Here, an effort is also made to classify the normal and seizure/ictal electroencephalogram (EEG) signals, which are used as an input to EMD, with the help of a support vector machine (SVM). The classification accuracy obtained is above 99%, and here, MATLAB is used for feature calculation and classification purposes.