bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering Catalytic Active Sites on Cobalt Oxide Surface for Enhanced Oxygen Electrocatalysis
Authors: Han Xiaopeng , He Guowei , He Yu , Zhang Jinfeng , Zheng Xuerong , Li Lanlan , Zhong Cheng , Hu Wenbin , Deng Yida , Ma Tian‐Yi 
Published: December 2017

AbstractTuning the catalytic active sites plays a crucial role in developing low cost and highly durable oxygen electrode catalysts with precious metal‐competitive activity. In an attempt to engineer the active sites in Co3O4 spinel for oxygen electrocatalysis in alkaline electrolyte, herein, controllable synthesis of surface‐tailored Co3O4 nanocrystals including nanocube (NC), nanotruncated octahedron (NTO), and nanopolyhedron (NP) anchored on nitrogen‐doped reduced graphene oxide (N‐rGO), through a facile and template‐free hydrothermal strategy, is provided. The as‐synthesized Co3O4 NC, NTO, and NP nanostructures are predominantly enclosed by {001}, {001} + {111}, and {112} crystal planes, which expose different surface atomic configurations of Co2+ and Co3+ active sites. Electrochemical results indicate that the unusual {112} plane enclosed Co3O4 NP on rGO with abundant Co3+ sites exhibit superior bifunctional activity for oxygen reduction and evolution reactions, as well as enhanced metal–air battery performance in comparison with other counterparts. Experimental and theoretical simulation studies demonstrate that the surface atomic arrangement of Co2+/Co3+ active sites, especially the existence of octahedrally coordinated Co3+ sites, optimizes the adsorption, activation, and desorption features of oxygen species. This work paves the way to obtain highly active, durable, and cost‐effective electrocatalysts for practical clean energy devices through regulating the surface atomic configuration and catalytic active sites.
Oriented Grains with Preferred Low‐Angle Grain Boundaries in Halide Perovskite Films by Pressure‐Induced Crystallization
Authors: Kim Wanjung , Jung Myung Sun , Lee Seonhee , Choi Yung Ji , Kim Jung Kyu , Chai Sung Uk , Kim Wook , Choi Dae‐Geun , Ahn Hyungju , Cho Jeong Ho , Choi Dukhyun , Shin Hyunjung , Kim Dongho , Park Jong Hyeok 
Published: December 2017

AbstractA general methodology is reported to create organic–inorganic hybrid metal halide perovskite films with enlarged and preferred‐orientation grains. Simply pressing polyurethane stamps with hexagonal nanodot arrays on partially dried perovskite intermediate films can cause pressure‐induced perovskite crystallization. This pressure‐induced crystallization allows to prepare highly efficient perovskite solar cells (PSCs) because the preferred‐orientation and enlarged grains with low‐angle grain boundaries in the perovskite films exhibit suppressed nonradiative recombination. Consequently, the photovoltaic response is dramatically improved by the uniaxial compression in both inverted‐planar PSCs and normal PSCs, leading to power conversion efficiencies of 19.16%.
Spontaneous Growth of 3D Framework Carbon from Sodium Citrate for High Energy‐ and Power‐Density and Long‐Life Sodium‐Ion Hybrid Capacitors
Authors: Yang Bingjun , Chen Jiangtao , Lei Shulai , Guo Ruisheng , Li Hongxia , Shi Siqi , Yan Xingbin 
Published: December 2017

AbstractCarbon sheets with 3D architectures, large graphitic interlayer spacing, and high electrical conductivity are highly expected to be an ideal anode material for sodium‐ion hybrid capacitors (SIHCs). Pursuing a simple synthesis methodology and advancing it from the laboratory to industry is of great importance. In this study, a new approach is presented to prepare 3D framework carbon (3DFC) with the above integrated advantages by a direct calcination of sodium citrate without aid of any additional carbon source, template, or catalyst. The first‐principle calculations verify that the large interlayer spacing and the curvature structure of 3DFC facilitate the sodium ion insertion/extraction. As a consequence, the optimal 3DFC sample exhibits high reversible capacity as well as excellent rate and cycling performance. On this basis, a dual‐carbon SIHC is fabricated by employing 3DFC as battery‐type anode and 3DFC‐derived nanoporous carbon as capacitor‐type cathode. It is able to deliver high energy‐ and power‐density feature as well as outstanding long‐term cycling stability in the potential range of 0–4.0 V. This study may open an avenue for developing high‐performance carbon electrode materials and pushes the practical applications of SIHCs a decisive step forward.
Graphene Layers‐Wrapped Fe/Fe5C2 Nanoparticles Supported on N‐doped Graphene Nanosheets for Highly Efficient Oxygen Reduction
Authors: Hu Enlai , Yu Xin‐Yao , Chen Fang , Wu Yadan , Hu Yong , Lou Xiong Wen (David) 
Published: December 2017

AbstractSynthesis of highly efficient nonprecious metal electrocatalysts for the oxygen reduction reaction (ORR) superior to platinum (Pt) is still a big challenge. Herein, a new highly active ORR electrocatalyst is reported based on graphene layers‐wrapped Fe/Fe5C2 nanoparticles supported on N‐doped graphene nanosheets (GL‐Fe/Fe5C2/NG) through simply annealing a mixture of bulk graphitic carbon nitride (g‐C3N4) and ferrocene. An interesting exfoliation–denitrogen mechanism underlying the conversion of bulk g‐C3N4 into N‐doped graphene nanosheets is revealed. Owing to the high graphitic degree, optimum N‐doping level and sufficient active sites from the graphene layers‐wrapped Fe/Fe5C2 nanoparticles, the as‐prepared GL‐Fe/Fe5C2/NG electrocatalyst obtained at 800 °C exhibits outstanding ORR activity with a 20 mV more positive half‐wave potential than the commercial Pt/C catalyst in 0.1 m KOH solution and a comparable onset potential of 0.98 V. This makes GL‐Fe/Fe5C2/NG an outstanding electrocatalyst for ORR in alkaline solution.
Graphene‐Based Inverted Planar Perovskite Solar Cells: Advancements, Fundamental Challenges, and Prospects
Authors: Petridis Konstantinos , Kakavelakis George , Stylianakis Minas M. , Kymakis Emmanuel 
Published: December 2017

AbstractMetal halide based perovskite solar cells (PSCs) are considered among the most promising photovoltaic technologies, and already present certified efficiencies that surpass 22 %. The high performance and low fabrication cost make this technology competitive with that of state‐of‐the‐art thin‐film photovoltaics. However, PSCs present some striking disadvantages that hinder their commercialization, including short operational lifetimes, high toxicity, and hysteresis effects, which lower both the performance and long‐term stability of the devices. Herein, work conducted within the last two years is summarized with regard to addressing the challenges of low‐temperature‐processed planar inverted PSCs composed of graphene‐based materials. In addition, critical challenges and the prospects of this field are discussed and some prospects for future research directions are proposed.
Child and family characteristics moderate agreement between caregiver and clinician report of autism symptoms
Authors: Neuhaus Emily , Beauchaine Theodore P. , Bernier Raphael A. , Webb Sara J. 
Published: December 2017

Rates of autism spectrum disorder (ASD) and age at first diagnosis vary considerably across the United States and are moderated by children's sex, race, ethnicity, and availability of services. We additionally suggest that degree of caregiver–clinician agreement on ASD symptoms may play a role in ASD assessment. Since gold standard ASD assessment integrates caregiver‐reported developmental history with clinician observations, differential agreement between reporters across demographic groups may contribute to a host of detrimental outcomes. Here, we investigate whether caregiver–clinician agreement on ASD symptoms varies according to child and family characteristics. Comprehensive data from 2,759 families in the Simons Simplex Collection were analyzed. Linear models were created with caregiver reports predicting clinician reports, and moderating effects of child characteristics and family factors were examined. Poorer reporter correspondence was observed when children had higher IQ scores, stronger adaptive behavior, and more behavioral difficulties. Greater disagreement was also associated with African American racial status (for younger children), lower household income, and paternal social difficulties (for older children). Children's biological sex did not moderate caregiver–clinician agreement. Marked disagreement between caregivers and clinicians could lead to suboptimal or insufficient intervention services and negative experiences for families throughout development. Such families may also be less likely to qualify for research studies, and therefore be underrepresented in the ASD literature. Modified assessment procedures may be required to improve assessment accuracy and family experiences. Autism Res 2018, 11: 476–487. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryEvaluation of autism spectrum disorder (ASD) incorporates both caregiver and clinician perspectives of symptoms, and disagreement between these perspectives could lead to poorer outcomes for families. Using data from 2,759 families, we show that caregiver–clinician agreement on ASD symptoms is poorer for children with higher cognitive and adaptive skills, more behavioral difficulties, lower household income, and African American racial status. These children may be at higher risk for misdiagnosis, poorer family experiences during evaluations, and poorer representation in ASD research.
Longitudinal development of thalamic and internal capsule microstructure in autism spectrum disorder
Authors: McLaughlin Kristine , Travers Brittany G. , Dadalko Olga I. , Dean Douglas C. , Tromp Do , Adluru Nagesh , Destiche Daniel , Freeman Abigail , Prigge Molly D. , Froehlich Alyson , Duffield Tyler C. , Zielinski Brandon A. , Bigler Erin D. , Lange Nicholas , Anderson Jeff S. , Alexander Andrew L. , Lainhart Janet E. 
Published: December 2017

The thalamus is a key sensorimotor relay area that is implicated in autism spectrum disorder (ASD). However, it is unknown how the thalamus and white‐matter structures that contain thalamo‐cortical fiber connections (e.g., the internal capsule) develop from childhood into adulthood and whether this microstructure relates to basic motor challenges in ASD. We used diffusion weighted imaging in a cohort‐sequential design to assess longitudinal development of the thalamus, and posterior‐ and anterior‐limbs of the internal capsule (PLIC and ALIC, respectively) in 89 males with ASD and 56 males with typical development (3–41 years; all verbal). Our results showed that the group with ASD exhibited different developmental trajectories of microstructure in all regions, demonstrating childhood group differences that appeared to approach and, in some cases, surpass the typically developing group in adolescence and adulthood. The PLIC (but not ALIC nor thalamus) mediated the relation between age and finger‐tapping speed in both groups. Yet, the gap in finger‐tapping speed appeared to widen at the same time that the between‐group gap in the PLIC appeared to narrow. Overall, these results suggest that childhood group differences in microstructure of the thalamus and PLIC become less robust in adolescence and adulthood. Further, finger‐tapping speed appears to be mediated by the PLIC in both groups, but group differences in motor speed that widen during adolescence and adulthood suggest that factors beyond the microstructure of the thalamus and internal capsule may contribute to atypical motor profiles in ASD. Autism Res 2018, 11: 450–462. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryMicrostructure of the thalamus, a key sensory and motor brain area, appears to develop differently in individuals with autism spectrum disorder (ASD). Microstructure is important because it informs us of the density and organization of different brain tissues. During childhood, thalamic microstructure was distinct in the ASD group compared to the typically developing group. However, these group differences appeared to narrow with age, suggesting that the thalamus continues to dynamically change in ASD into adulthood.
Der Löwenhof in Dortmund – experimentelle Statik zum Erhalt historischer Eisenbetondecken
Authors: Gutermann Marc , Gersiek Martin , Löschmann Friedhelm , Patrias Marcus 
Published: December 2017

AbstractDer Löwenhof ist eines der wenigen erhaltenen historischen, nicht sakralen Bauwerke innerhalb des Dortmunder Wallrings. Im Vorfeld einer brandschutztechnischen Ertüchtigung wurde die Deckenkonstruktion stellenweise freigelegt. Der schlechte Zustand des Tragwerks führte zu einer Nachrechnung, die Mängel in der Aufstellungsstatik, der Konstruktion und der Bauausführung offenbarte. Das Gebäude, durch die Volkshochschule Dortmund zuletzt als Veranstaltungsstätte genutzt, wurde für den Publikumsverkehr gesperrt. Dieser Artikel beschreibt den Weg der Planungsgruppe, der über Bauwerksdiagnostik, Tragwerksplanung und experimentelle Methoden letztendlich zum Erhalt des Bauwerks führte.
Altered functional connectivity in blepharospasm/orofacial dystonia
Authors: Jochim Angela , Li Yong , Gora‐Stahlberg Gina , Mantel Tobias , Berndt Maria , Castrop Florian , Dresel Christian , Haslinger Bernhard 
Published: December 2017

AbstractIntroductionBlepharospasm is characterized by involuntary eyelid spasms. It can be associated with perioral dystonia (Meige's syndrome or orofacial dystonia). We aimed at studying resting‐state functional brain connectivity in these patients and its potential modulation by therapeutic botulinum toxin injections.MethodsWe performed resting‐state functional MRI and a region of interest‐based analysis of functional connectivity in 13 patients with blepharospasm/Meige's syndrome in comparison to 13 healthy controls. Patients were studied before and 4 weeks after botulinum toxin treatment. Simultaneous facial electromyography was applied to control for involuntary facial movements.ResultsBefore botulinum toxin treatment, patients showed reduced functional connectivity between caudate and primary sensorimotor, somatosensory association and visual cortices as well as between putamen and parietal association cortex. Cerebellar areas displayed decreased functional connectivity to somatosensory and visual association cortices. On the cortical level, connectivity was reduced between the cingulate cortex and the primary sensorimotor/premotor and parietal association cortex, between premotor areas and the primary somatosensory cortices, and between the postcentral gyrus and temporoparietal, secondary somatosensory, cingular, and cerebellar regions. Botulinum toxin treatment modulated functional connectivity, especially between cerebellum and visual cortices.ConclusionsPatients with blepharospasm/Meige's syndrome show altered functional connectivity at rest in widespread brain regions including basal ganglia, cerebellar, primary/secondary sensorimotor, and visual areas. Functionally, this may reflect a predisposition for defective movement inhibition and sensorimotor integration. Botulinum toxin treatment could modulate brain connectivity in blepharospasm by altering visual and sensory input.
Nanosheets/Mesopore Structured Co3O4@CMK‐3 Composite as an Electrocatalyst for the Oxygen Reduction Reaction
Authors: Gan Lang , Wang Mengran , Hu Langtao , Fang Jing , Lai Yanqing , Li Jie 
Published: December 2017

AbstractThe exploration of highly effective and low‐cost non‐noble‐metal electrocatalysts for the oxygen reduction reaction (ORR) will have a significant impact on the area of fuel cells and metal–air batteries. Here, we report a facile, efficient, and environmentally friendly method to deposit transition metal oxide nanosheets (NSs) on the backbone of ordered mesoporous carbon (CMK‐3) by the pyrolysis of the metal‐precursor@CMK‐3. The optimized CMK‐3 catalyst with a coating of Co3O4 NSs possesses a high surface area of 2396 m2 g−1 and demonstrates an excellent electrocatalytic activity towards the ORR in alkaline media, which is much better than that of other transition metal oxide@CMK‐3 catalysts and other carbon‐based catalysts (such as carbon nanotubes). In addition, the as‐prepared catalyst possesses a comparable electrochemical performance and a superior durability and higher tolerance to methanol compared with commercially available Pt/C, which can be ascribed to the distinctive structure of the nanosheets and mesopores, indicative of potential applications in metal–air batteries.
Thermal Integration of Sulfuric Acid and Continuous Catalyst Regeneration of Naphtha Reforming Plants
Authors: Iranshahi Davood , Hamedi Nazanin , Nategh Mahshid , Saeedi Reza , Saeidi Samrand 
Published: December 2017

AbstractAn optimal reactor design is proposed that simultaneously improves the naphtha reforming reactor performance and increases sulfur trioxide production. In this new configuration, the naphtha reforming process as an endothermic reaction is coupled with the oxidation reaction of sulfur dioxide, which is an exothermic reaction. The differential evolution optimization technique is applied to maximize the produced amounts and yields of aromatics and hydrogen. The results obtained with the optimized thermally coupled reactor are compared with those of the conventional and thermally coupled reactors, proving the superiority of the proposed configuration.
Electrochemically Initiated Crosslinking of Chitosan
Authors: Zheng Feng , Lawrence Nathan S. , Hartshorne Robert S. , Fisher Adrian C. 
Published: December 2017

AbstractThe electrochemical oxidation of catechol has been studied in the presence of d‐glucosamine and chitosan by using cyclic voltammetry. The reaction is studied at various scan rates and different concentrations of d‐glucosamine and chitosan. The results indicate that the reaction system between catechol and d‐glucosamine follows an EC mechanism, with a thin film product being produced on the electrode surface. Accordingly, the reaction of chitosan and catechol was studied to develop a means of crosslinking the chitosan to form polymer‐based gels.
Influence of atomization conditions on spray drying lithium iron phosphate nanoparticle suspensions
Authors: Rigamonti Marco G. , Song Yu‐Xiang , Li He , Saadatkhah Nooshin , Sauriol Pierre , Patience Gregory S. 
Published: December 2017

AbstractRemoving solvents from nanoparticle solid suspensions requires the same diligence as drying pharmaceutical ingredients. nanoparticles suspension in water oxidize, sinter, and segregates on the surface when they dry in a furnace. Spray drying preserves the material properties because contact times are on the orders of seconds; furthermore, the atomized droplets ensure particles are small (5 m to 20 m) and dispersed. A Yamato GA‐32 (120 mm inner diameter) spray dried in co‐current flow a nanoparticle suspension of in water, with a solid content up to 60 %. Atomization gas velocities of 140 m s to 350 m s agglomerated the nanomaterial into spherical particles that ranged from 3 m to 10 m. The particle diameters ranged from 10 m to 20 m at atomization velocities of 50 m s to 140 m s. At this condition, yield was lower because the semi‐dried particles adhere on the wall. At 150 C to 200 C the surface area reached 26 mg while from 50 C to 100 C it varied from 14 m g to 20 m g. The trend for mesoporosity versus spray drying temperature is the same as for surface area: pore volumes are higher (0.18 cmg) above 200C and 20 % lower below 200C. Drying temperature modifies drying speed; low temperatures compact the powders more than high temperature which results in lower surface area and porosity.
Characteristics of carbon monoxide production and oxidation kinetics during the decaying process of coal spontaneous combustion
Authors: Zhang Yutao , Shi Xueqiang , Li Yaqing , Liu Yurui 
Published: December 2017

AbstractLaboratorial experiments of coal spontaneous combustion under non‐isothermal conditions were conducted using a self‐made instrument aimed at investigating the characteristics of carbon monoxide emissions and kinetic characteristics. The impacts of coal rank, particle size, and oxygen content on the CO production during the decaying process of spontaneous combustion were studied. The experimental results demonstrated that coal particle size had a significant influence on the spontaneous combustion at high temperatures and coals of a large particle size decreased slowly in terms of the total CO production. Meanwhile, it is also found that even if the oxygen content was as low as 3 %, the oxidation reaction of coal still existed, liberating CO and heat at the same time. Therefore, stricter standards were recommended when judging whether or not a spontaneous combustion had been extinguished in gobs. Additionally, the studies on oxidation kinetics of coal implied that the activation energy was dependent both on the oxidation temperatures and coal properties. Oxidation temperatures affect the magnitude of activation energy, while coal properties impact the response of activation energy to the oxygen contents.
The 10th Joint Meeting on Medicinal Chemistry (JMMC 2017) Held in Dubrovnik, Croatia
Authors: Perković Ivana , Stepanić Višnja , Marković Vesna Gabelica 
Published: December 2017

AbstractThe Croatian Chemical Society was established in 1926 and has developed over the decades into a society that actively supports all chemical activities in Croatia. The Society has eight divisions, the youngest of which, the Division of Medicinal and Pharmaceutical Chemistry, was established in 2012 and immediately became a member of the European Federation of Medicinal Chemistry (EFMC). The mission of the Medicinal and Pharmaceutical Chemistry Division is the promotion and development of scientific, professional, and educational activities within the medicinal chemistry community in Croatia, as well as to build partnerships and collaborations with other primarily EU‐based medicinal chemistry societies. In Croatia, medicinal chemistry research is ongoing at several institutes, including the University of Zagreb (Faculty of Science, Faculty of Pharmacy and Biochemistry, and Faculty of Chemical Engineering and Technology), national institutes of science (Ruđer Bošković Institute), and private‐sector drug discovery companies (CRO Fidelta Ltd.). In order to effectively exchange knowledge, ideas, and scientific results, Croatian medicinal chemists meet twice annually.
Acid‐Catalyzed Conversion of Carbohydrates into Value‐Added Small Molecules in Aqueous Media and Ionic Liquids
Authors: Bodachivskyi Iurii , Kuzhiumparambil Unnikrishnan , Williams D. Bradley G. 
Published: December 2017

AbstractBiomass is the only realistic major alternative source (to crude oil) of hydrocarbon substrates for the commercial synthesis of bulk and fine chemicals. Within biomass, terrestrial sources are the most accessible, and therein lignocellulosic materials are most abundant. Although lignin shows promise for the delivery of certain types of organic molecules, cellulose is a biopolymer with significant potential for conversion into high‐volume and high‐value chemicals. This review covers the acid‐catalyzed conversion of lower value (poly)carbohydrates into valorized organic building‐block chemicals (platform molecules). It focuses on those conversions performed in aqueous media or ionic liquids to provide the reader with a perspective on what can be considered a best case scenario, that is, that the overall process is as sustainable as possible.