bluuebunny/crossref_metadata_2025_split huggingface dataset:
Asymmetric Difluoroboron Quinazolinone‐Pyridine Dyes with Large Stokes Shift: High Emission Efficiencies Both in Solution and in the Solid State
Authors: Zhou Jia , Liu Lu , Pan Ying , Zhu Qiaoyu , Lu Yajie , Wei Jiacheng , Luo Kang , Fu Yang , Zhong Cheng , Peng Yiyuan , Song Zhibin 
Published: November 2018

AbstractBoron difluoroquinazolinone‐pyridine (BODIQPy) and substituted derivatives have been designed and synthesized. Strong emission with high fluorescence quantum yield both in solution (up to 0.99) and in solid state (up to 0.60) was achieved in these asymmetric BODIQPys. For 6‐halogen substituted BODIQPys, the heavy atomic effect of bromine and iodine was suppressed in solution due to the strong electron‐withdrawing ability of the BODIQPy core. As a result, 6‐iodine substituted BODIQPy shows the unusual fluorescence quantum yields (>0.70) in dichloromethane and tetrahydrofuran. In the solid state, the asymmetric structure induced a unique dimeric structure, and efficient luminescence was also observed. The formation of halogen bonds between carbonyl oxygen and bromine or iodine regulated the stacking mode and enhanced intermolecular interaction, resulting in a decline in the fluorescence quantum yield. In addition, a large Stokes shift was also achieved in these asymmetric BODIQPys.
Porous Core–Shell CuCo2S4 Nanospheres as Anode Material for Enhanced Lithium‐Ion Batteries
Authors: Zheng Tian , Li Guangda , Meng Xiangeng , Li Siyi , Ren Manman 
Published: November 2018

AbstractPorous core–shell CuCo2S4 nanospheres that exhibit a large specific surface area, sufficient inner space, and a nanoporous shell were synthesized through a facile solvothermal method. The diameter of the core–shell CuCo2S4 nanospheres is approximately 800 nm„ the radius of the core is about 265 nm and the thickness of the shell are approximately 45 nm, respectively. On the basis of the experimental results, the formation mechanism of the core–shell structure is also discussed. These CuCo2S4 nanospheres show excellent Li storage performance when used as anode material for lithium‐ion batteries. This material delivers high reversible capacity of 773.7 mA h g−1 after 1000 cycles at a current density of 1 A g−1 and displays a stable capacity of 358.4 mA h g−1 after 1000 cycles even at a higher current density of 10 A g−1. The excellent Li storage performance, in terms of high reversible capacity, cycling performance, and rate capability, can be attributed to the synergistic effects of both the core and shell during Li+ ion insertion/extraction processes.
Quantum mechanics in chemistry class: the linear and the cyclic particle in a box model applied to dyes and aromats
Authors: Kraska Thomas 
Published: November 2018

AbstractAus der heutigen Realität der Chemie ist die Quantenmechanik nicht mehr wegzudenken. Quantenmechanische Programmpakete ermöglichen Berechnungen in vielen Bereichen der Chemie sowie in den Material‐ und Ingenieurwissenschaften. Zweifellos ist die Quantenmechanik Teil der universitären Ausbildung, nichtsdestotrotz ist es möglich, ihre Grundzüge im Chemieunterricht der Sekundarstufe II zu behandeln. Dabei können die Prinzipien anhand von Systemen veranschaulicht werden, die bereits Teil der Curricula im Fach Chemie sind. Das hier besprochene, allgemein bekannte lineare Kastenmodell wird mit anderem Fokus, aber in ähnlicher, Tiefe standardmäßig im Physikunterricht der Sekundarstufe II behandelt. Es überfordert Schülerinnen und Schüler also grundsätzlich nicht. Dieses Modell erlaubt es die Prinzipien der Quantenmechanik einfach darzustellen und ist näherungsweise anwendbar auf lineare und zyklische konjugierte π‐Systeme. Die Näherung beinhaltet, dass im Kasten die potenzielle Energie null ist, während die potenzielle Energie der Atome tatsächlich durch ein periodisches Coulomb‐Potenzial gegeben ist. Die hier benutzte Näherung bezieht sich also auf die Anwendung der exakten quantenmechanischen Lösung für das einfache Kastenmodell auf kompliziertere Moleküle. Unterschiede in der Elektronenverteilung, die sich zwischen dem Kastenmodell und dem periodischen Coulomb‐Potenzial ergeben, werden diskutiert.
Phrenic motoneuron structural plasticity across models of diaphragm muscle paralysis
Authors: Mantilla Carlos B. , Zhan Wen‐Zhi , Gransee Heather M. , Prakash Y. S. , Sieck Gary C. 
Published: November 2018

AbstractStructural plasticity in motoneurons may be influenced by activation history and motoneuron–muscle fiber interactions. The goal of this study was to examine the morphological adaptations of phrenic motoneurons following imposed motoneuron inactivity while controlling for diaphragm muscle inactivity. Well‐characterized rat models were used including unilateral C2 spinal hemisection (SH; ipsilateral phrenic motoneurons and diaphragm muscle are inactive) and tetrodotoxin phrenic nerve blockade (TTX; ipsilateral diaphragm muscle is paralyzed while phrenic motoneuron activity is preserved). We hypothesized that inactivity of phrenic motoneurons would result in a decrease in motoneuron size, consistent with a homeostatic increase in excitability. Phrenic motoneurons were retrogradely labeled by ipsilateral diaphragm muscle injection of fluorescent dextrans or cholera toxin subunit B. Following 2 weeks of diaphragm muscle paralysis, morphological parameters of labeled ipsilateral phrenic motoneurons were assessed quantitatively using fluorescence confocal microscopy. Compared to controls, phrenic motoneuron somal volumes and surface areas decreased with SH, but increased with TTX. Total phrenic motoneuron surface area was unchanged by SH, but increased with TTX. Dendritic surface area was estimated from primary dendrite diameter using a power equation obtained from three‐dimensional reconstructed phrenic motoneurons. Estimated dendritic surface area was not significantly different between control and SH, but increased with TTX. Similarly, TTX significantly increased total phrenic motoneuron surface area. These results suggest that ipsilateral phrenic motoneuron morphological adaptations are consistent with a normalization of motoneuron excitability following prolonged alterations in motoneuron activity. Phrenic motoneuron structural plasticity is likely more dependent on motoneuron activity (or descending input) than muscle fiber activity.
Decorative patterns and sets of colors inspired by folk and applied arts of upper silesia, a popularization of visual cultural heritage of the region
Authors: Kmita Anna 
Published: November 2018

AbstractThe Project of Decorative Patterns and Sets of Colors inspired by Applied Art of Upper Silesia is a design created within the framework of scholarship from Fund for the Promotion of Creativity of the Ministry of Culture and National Heritage in Poland. The main objective of this project was digital documentation of chosen national heritage with regard to ornamentation and coloring, design of patterns and sets of colors, obtaining graphic materials of high visual quality, possible to be applied with contemporary media. The key results of the project are the database of graphic elements, book of patterns and colors including set of patterns inspired by cataloged decorative elements and set of colors inspired by typical combinations of colors used in applied art of Upper Silesia. Sampling color, we were able to use tools such as natural color system (NCS) Tester and NCS Color Scan as well as Pantone testers. Graphic themes on porcelain were made with different techniques, and while digitization of the patterns, preservation of colors and their uniqueness was our priority. Each designed pattern was presented as: original pattern, strip pattern, pattern described on a wheel or oval, and report/square field containing repetitive elements for free multiplication. Created elements (described in NCS, Pantone, CMYK, RGB) can be used as elements in many identification projects and be element of visual culture of the region.
An Open‐Label, Single‐Dose, Human Mass Balance Study of Amenamevir in Healthy Male Adults
Authors: Kato Kota , den Adel Martin , Groenendaal‐van de Meent Dorien , Ohtsu Yoshiaki , Takada Akitsugu , Katashima Masataka 
Published: November 2018

AbstractAmenamevir is an inhibitor of the helicase‐primase enzyme complex developed for the treatment of varicella zoster virus. This mass balance study investigated the absorption, metabolism, and excretion of a single dose (200 mg) of 14C‐labeled amenamevir in healthy male volunteers. Blood, urine, and feces samples were collected for up to 8 days after the dose. Safety and tolerability were assessed through voluntary reporting of adverse events, physical examination, and clinical laboratory testing. Amenamevir was rapidly absorbed, with a median time to peak drug concentration of 1.0 to 1.5 hours and a plasma half‐life of 8 to 9 hours. Overall, 95.3% of the administered dose was recovered, with the majority of radiolabeled drug excreted in feces (74.6%) followed by urine (20.6%). The major route of elimination was fecal, with around 70% of the dose excreted as metabolites and <0.1% as the unchanged drug. Metabolic profiling revealed that predominantly radiolabeled amenamevir (80%) and its hydroxyl metabolite R5 (up to 7.1%) were present in plasma. Single‐dose amenamevir was well tolerated; 3 transient and mild adverse events were reported in 3 subjects. Overall, >95% of a single 200‐mg dose of amenamevir was eliminated by 168 hours after the dose, with the major route of elimination being fecal.
Best practices for management and operation of large HPC installations
Authors: Lathrop Scott , Mendes Celso , Enos Jeremy , Bode Brett , Bauer Gregory , Sisneros Roberto , Kramer William 
Published: November 2018

SummaryTo achieve their mission and goals, HPC centers continually strive to improve the effectiveness of their resources and services to best serve their constituencies. Collectively, the community has learned a great deal about how to manage and operate HPC centers, provide robust and effective services, and develop new communities as well as about other important aspects. Yet, cataloguing best practices to help inform and guide the broader HPC community is not often done. To improve the situation, the Blue Waters project has documented sets of best practices that have been adopted for the deployment and operation over the past five years of the Blue Waters leadership system, a large Cray XE6/XK7 supercomputer at NCSA. Those practices, described in this paper, cover aspects of managing and operating the system and its resources, supporting its users, and expanding the diversity of applications and communities. Although the technical practices are sometimes discussed relative to Cray systems and leadership‐scale systems, we believe that they would benefit the deployment and operation of other large HPC installations as well.
Pansharpening multispectral remote‐sensing images with guided filter for monitoring impact of human behavior on environment
Authors: Li Qilei , Yang Xiaomin , Wu Wei , Liu Kai , Jeon Gwanggil 
Published: November 2018

SummaryHuman behavior would lead to a significant impact on the environment. By monitoring the environment, we can indirectly monitor human behavior. Remote sensing (RS) technology provides a large number of multispectral (MS) images. When combining the Internet of things (IoT) technology, those images can be used for human behavioral monitoring. However, due to the limitation of the optical sensors embedded in satellites, the spatial resolution of MS image is relatively low, which poses a huge problem for further understanding these images. Pansharpening, also known as multisensor image fusion, aims to sharp an MS image to a high‐resolution multisensor image (HMS) by integrating a corresponding high‐resolution panchromatic (PAN) image. By doing so, the redundancy among big data can be effectively reduced. Traditional Intensity‐Hue‐Saturation (IHS)–based methods often suffer from spectral distortion. To address this problem, a novel pansharpening method is proposed in this paper. Different from those traditional IHS methods, the proposed method first decomposes MS and PAN into high‐frequency‐component (HFC) and low‐frequency‐component (LFC), respectively. Then, the guided filter (GF) is utilized to enhance the spectral information on the detail map. Furthermore, the detail map is refined according to the adaptive coefficients for each band of MS. By performing experiments, we demonstrate the proposed method can obtain satisfying results in both visual quality and object assessment among existing methods.
Growth of E. coli in Liquid Medium
Authors: Elbing Karen L. , Brent Roger 
Published: November 2018

AbstractWe describe the procedure for inoculating overnight (starter) cultures of E. coli from a single colony, along with considerations for growing larger cultures. We also include two methods for monitoring the number of cells per unit volume (density) of liquid cultures using a spectrophotometer and a hemacytometer or “count slide.” © 2018 by John Wiley & Sons, Inc.
Battling the HIV/AIDS Epidemic: Triumphs and Barriers
Authors: McColl Eliza R. , Kojovic Dea , Piquette‐Miller Micheline 
Published: November 2018

Worldwide, over 77 million people have been infected by human immunodeficiency virus (HIV) but its cure remains elusive. Once considered a fatal disease, advances in antiretroviral therapy (ART) have dramatically increased the life expectancy of infected persons. Much progress has been made in the development and utilization of combination ART and preventative pre‐exposure prophylaxis products, however, numerous obstacles prevent eradication. Clinical pharmacologists along with world health organizations continue to play a key role in identifying and implementing strategies to combat this disease.
High Selectivity Towards Formate Production by Electrochemical Reduction of Carbon Dioxide at Copper–Bismuth Dendrites
Authors: Hoffman Zachary B. , Gray Tristan S. , Xu Yin , Lin Qiyuan , Gunnoe T. Brent , Zangari Giovanni 
Published: November 2018

AbstractThe electrochemical reduction of CO2 provides an alternative carbon‐neutral path for renewable synthesis of fuels and value‐added chemicals. This work demonstrates that dendritic, bimetallic Cu–Bi electrocatalysts with nanometer‐sized grains are capable of formate generation with a high selectivity. Optimizing composition of electrocatalyst could achieve a faradic efficiency of 90 % at −0.8 to −0.9 VRHE, and a partial current of more than 2 mA cm−2. The combination of Cu with Bi enables modulation of the adsorption strength of intermediates. This leads to an increased selectivity and suppressed formation of spurious species, especially hydrogen and CO. Comparison of product distribution for Cu–In versus Cu–Bi indicated that Bi is essential to induce a favorable adsorption configuration of the intermediate species and to promote formate production.
Analytical considerations for (un)‐targeted metabolomic studies with special focus on forensic applications
Authors: Boxler Martina I. , Schneider Tom D. , Kraemer Thomas , Steuer Andrea E. 
Published: November 2018

AbstractOver the past few years, the interest in metabolomics has increased in various fields including forensic toxicology. Forensic analysis typically requires a high degree of accuracy, which is often a problem in metabolomics applications. We aimed for a systematic evaluation of different analytical considerations of a metabolomics workflow allowing a targeted approach within an untargeted setup. Samples with 69 metabolites from different chemical classes were qualitatively and quantitatively analyzed on a high resolution quadrupole time of flight mass spectrometer coupled to liquid chromatography (UHPLC–QTOF). Three issues were addressed: (a) Two different approaches on “blind matrix” a simulated body fluid (SBF) and plasma‐filtrate, were tested for calibration samples; (b) comparison of two different HPLC columns, reverse‐phase (RP) and hydrophilic interaction chromatography (HILIC); and (c) comparison of three different acquisition modes (TOF–MS, information dependent data acquisition (IDA), and sequential window acquisition of all theoretical fragment‐ion spectra (SWATH). Samples were measured repeatedly for method comparison based on sensitivity, accuracy, precision, and detection robustness. The blind matrices showed similar accuracy for most analytes, while SBF provided an easier preparation with satisfying results. To cover a wide part of the human metabolome, a combination of RP and HILIC showed the best results. The different scan modes performed equally regarding metabolite quantification while TOF–MS was more sensitive but lacked MS/MS spectra generation. IDA and SWATH files were aligned to various databases where IDA showed good MS/MS spectra matches. SWATH seemed to be beneficial in detection rate but was incompatible with many important software tools in metabolomics.
Past the climate optimum: Recruitment is declining at the world's highest juniper shrublines on the Tibetan Plateau
Authors: Lu Xiaoming , Liang Eryuan , Wang Yafeng , Babst Flurin , Leavitt Steven W. , Julio Camarero J. 
Published: November 2018

AbstractAlpine biomes are climate change hotspots, and treeline dynamics in particular have received much attention as visible evidence of climate‐induced shifts in species distributions. Comparatively little is known, however, about the effects of climate change on alpine shrubline dynamics. Here, we reconstruct decadally resolved shrub recruitment history (age structure) through the combination of field surveys and dendroecology methods at the world's highest juniper (Juniperus pingii var. wilsonii) shrublines on the south‐central Tibetan Plateau. A total of 1,899 shrubs were surveyed at 12 plots located in four regions along an east‐to‐west declining precipitation gradient. We detected synchronous recruitment with 9 out of 12 plots showing a gradual increase from 1600 to 1900, a peak at 1900–1940, and a subsequent decrease from the 1930s onward. Shrub recruitment was significantly and positively correlated with reconstructed summer temperature from 1600 to 1940, whereas it was negatively associated with temperature in recent decades (1930–2000). Recruitment was also positively correlated with precipitation, except in the 1780–1830 period, when a trend toward wetter climate conditions began. Warming‐induced drought limitation has likely reduced the recruitment potential of alpine juniper shrubs in recent decades. Ongoing warming without a simultaneous increase in precipitation is expected to further impair recruitment at the world's highest juniper shrublines and alter the dynamics and competitive balance between woody plant species throughout these alpine biomes.
Innovative imaging methods in heart failure: a shifting paradigm in cardiac assessment. Position statement on behalf of the Heart Failure Association of the European Society of Cardiology
Authors: Čelutkienė Jelena , Plymen Carla M. , Flachskampf Frank A. , de Boer Rudolf A. , Grapsa Julia , Manka Robert , Anderson Lisa , Garbi Madalina , Barberis Vassilis , Filardi Pasquale Perrone , Gargiulo Paola , Zamorano Jose Luis , Lainscak Mitja , Seferovic Petar , Ruschitzka Frank , Rosano Giuseppe M.C. , Nihoyannopoulos Petros 
Published: November 2018

Myriad advances in all fields of cardiac imaging have stimulated and reflected new understanding of cardiac performance, myocardial damage and the mechanisms of heart failure. In this paper, the Heart Failure Association assesses the potential usefulness of innovative imaging modalities in enabling more precise diagnostic and prognostic evaluation, as well as in guiding treatment strategies. Many new methods have gradually penetrated clinical practice and are on their way to becoming a part of routine evaluation. This paper focuses on myocardial deformation and three‐dimensional ultrasound imaging; stress tests for the evaluation of contractile and filling function; the progress of magnetic resonance techniques; molecular imaging and other sound innovations.The Heart Failure Association aims to highlight the ways in which paradigms have shifted in several areas of cardiac assessment. These include reassessing of the simplified concept of ejection fraction and implementation of the new parameters of cardiac performance applicable to all heart failure phenotypes; switching from two‐dimensional to more accurate and reproducible three‐dimensional ultrasound volumetric evaluation; greater tissue characterization via recently developed magnetic resonance modalities; moving from assessing cardiac function and congestion at rest to assessing it during stress; from invasive to novel non‐invasive hybrid techniques depicting coronary anatomy and myocardial perfusion; as well as from morphometry to the imaging of pathophysiologic processes such as inflammation and apoptosis. This position paper examines the specific benefits of imaging innovations for practitioners dealing with heart failure aetiology, risk stratification and monitoring, and, in addition, for scientists involved in the development of future research.
Mast cells at the crossroads of microbiota and IBD
Authors: De Zuani Marco , Dal Secco Chiara , Frossi Barbara 
Published: November 2018

AbstractThe human gut harbors a wide range of microorganisms that play a fundamental role in the well‐being of their host. A dysregulation of the microbial composition can lead to the development or exacerbation of gastrointestinal (GI) disorders. Emerging evidence supports the hypothesis that mast cells (MCs) play a role in host‐microbiota communication, modulating the mutual influence between the host and its microbiota through changes in their activation state. The ability of some bacteria to specifically affect MC functions and activation has been extensively studied, with different and sometimes conflicting results, while only little is known about MC–fungi interactions. In this review, the most recent advances in the field of MC–bacteria and MC–fungi interactions will be discussed, with a particular focus on the role of these interactions in the onset of GI disorders such as inflammatory bowel diseases (IBD). Moreover, the connection between some MC‐targeting drugs and IBD was discussed, suggesting probiotics as reasonable and promising therapy in the management of IBD patients.
One Pot Synthesis of Au_ZnO Core‐Shell Nanoparticles Using a Zn Complex Acting as ZnO Precursor, Capping and Reducing Agent During the Formation of Au NPs
Authors: Contino Annalinda , Maccarrone Giuseppe , Spitaleri Luca , Torrisi Lucia , Nicotra Giuseppe , Gulino Antonino 
Published: November 2018

AbstractInvited for the cover of this issue is the group of Antonino Gulino at the University of Catania, Italy. The cover image shows the formation of Au_ZnO core‐shell nanoparticles using a Zn complex that acts as capping agent for the Au nanoparticles and as ZnO precursor. These Au_ZnO nanoparticles absorb both visible and UV light and behave as photocatalysts.