bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxidative Coupling of Aromatic Amines and Nitrosoarenes: Iodine‐Mediated Formation of Unsymmetrical Aromatic Azoxy Compounds
Authors: Yu Xiaochun , Ding Weijie , Ge Panyu , Wang Shun , Wang Jichang 
Published: June 2018

AbstractI2/DABCO (iodine/1,4‐diazabicyclo[2.2.2]octane)‐mediated oxidative coupling of nitrosobenzenes with aromatic amines was revealed to lead to the production of unsymmetrical aromatic azoxy compounds, instead of azo compounds reported previously in Mills reaction. Our study illustrates that various aromatic amines can be efficiently coupled with nitrosobenzenes to produce unsymmetrical azoxy product, in which more than thirty unsymmetrical azoxybenzenes have been successfully prepared. The applicability to a broad range of substrates, scalability to large scales and mild reaction conditions make this new synthetic protocol very practical, providing a convenient and direct access to unsymmetrical azoxybenzenes.magnified image
Regiospecific Bi‐Catalysed Domino C‐N/C‐S Bonds Formation: Synthesis of 1,4‐Thiazines/1,4‐Thiomorpholines
Authors: Vijay Murugan , Satheesh Vanaparthi , Kumar Sundaravel Vivek , Punniyamurthy Tharmalingam 
Published: June 2018

AbstractA domino Bi‐catalysed C−N/C−S bond formation of N‐sulfonylaziridines is developed with 1,4‐dithiane‐2,5‐diol to give 3,4‐dihydro‐1,4‐thiazines at room temperature. The use of Bi(OTf)3 as a catalyst, atom economy and regioselectivity are the important practical features.magnified image
Non‐Conjugated Dicarboxylate Anode Materials for Electrochemical Cells
Authors: Ma Chao , Zhao Xiaolin , Kang Litao , Wang Kai‐Xue , Chen Jie‐Sheng , Zhang Wenqing , Liu Jianjun 
Published: June 2018

AbstractClassical organic anode materials for Na‐ion batteries are mostly based on conjugated carboxylate compounds, which can stabilize added electrons by the double‐bond reformation mechanism. Now, 1,4‐cyclohexanedicarboxylic acid (C8H12O4, CHDA) with a non‐conjugated ring (−C6H10−) connected with carboxylates is shown to undergo electrochemical reactions with two Na ions, delivering a high charge specific capacity of 284 mA h g−1 (249 mA h g−1 after 100 cycles), and good rate performance. First‐principles calculations indicate that hydrogen‐transfer‐mediated orbital conversion from antibonding π* to bonding σ stabilize two added electrons, and reactive intermediate with unpaired electron is suppressed by localization of σ‐bonds and steric hindrance. An advantage of CHDA as an anode material is good reversibility and relatively constant voltage. A large variety of organic non‐conjugated compounds are predicted to be promising anode materials for sodium‐ion batteries.
A Stable Trimethylenemethane Triplet Diradical Based on a Trimeric Porphyrin Fused π‐System
Authors: Kato Kenichi , Furukawa Ko , Osuka Atsuhiro 
Published: June 2018

AbstractTrimethylenemethane (TMM) diradical is the simplest non‐Kekulé non‐disjoint molecule with the triplet ground state (ΔEST=+16.1 kcal mol−1) and is extremely reactive. It is a challenge to design and synthesize a stable TMM diradical with key properties, such as actual aliphatic TMM diradical centers and the triplet ground state with a large positive ΔEST value, since such species provide detailed information on the electronic structure of TMM diradical. Herein we report a TMM derivative, in which the TMM segment is fused with three NiII meso‐triarylporphyrins, that satisfies the above criteria. The diradical shows delocalized spin density on the propeller‐like porphyrin π‐network and the triplet ground state owing to the strong ferromagnetic interaction. Despite the apparent TMM structure, the diradical can be handled under ambient conditions and can be stored for months in the solid state, thus allowing its X‐ray diffraction structural analysis.
New tacrine–acridine hybrids as promising multifunctional drugs for potential treatment of Alzheimer's disease
Authors: Chufarova Nina , Czarnecka Kamila , Skibiński Robert , Cuchra Magda , Majsterek Ireneusz , Szymański Paweł 
Published: June 2018

AbstractThe synthesis, biological tests, and computer modeling of a series of novel promising tacrine hybrids for the therapy of Alzheimer's disease are reported. Firstly, new tacrine–acridine hybrids with different carbon linker lengths were synthesized. Secondly, all the compounds were tested in vitro for their ability to inhibit acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzyme activity. After that, the most promising compound 3d was tested using the amyloid‐β aggregation assay. To evaluate possible toxic effects, cytotoxicity tests were conducted. The most active compound 3d (IC50 = 7.6 pM for AChE and 1.7 pM for BuChE) appeared to be a much more active inhibitor than tacrine (IC50 = 89.9 nM for AChE and 14.9 nM for BuChE). At the highest concentration (100 μM), 3d exhibited 57.77% activity, retaining it as the concentration decreased: 50 μM – 54.74%, 20 μM – 48.28%, 10 μM – 31.66%. The compound showed no significant cytotoxic effect at the tested concentrations. At the end, docking studies using methods of computer modeling were performed to visualize the binding mode of the inhibitor 3d. It showed dual‐binding mode for AChE, by binding to the catalytic anionic site and the peripheral anionic site simultaneously. Thus, compound 3d is a promising multitarget hybrid that can be used for the treatment of Alzheimer's disease.
Efficient Synthesis of Five Types of Heterocyclic Compounds via Intramolecular Elimination Using Ultrasound‐Static Heating Technique
Authors: Jiang Hongfei , Dong Xueyang , Jin Xin , Zhu Danyang , Yin Ruijuan , Yu Rilei , Wan Shengbiao , Zhang Lijuan , Jiang Tao 
Published: June 2018

AbstractAn experimental technique, ultrasound‐static heating, has been developed for the efficient synthesis of heterocyclic compounds. The technique involves ultrasonic irradiation and static heating processes. First, the ultrasonic irradiation process is performed to form an intermediate of the heterocyclic compound under mild conditions and the subsequent static heating process (heating the intermediate under solvent‐free conditions without stirring) produces the target heterocyclic compounds via intramolecular elimination.
Esthetic rehabilitation of the smile with partial laminate veneers in an older adult
Authors: Ceinos Romain , Pouyssegur Valérie , Allard Yves , Bertrand Marie‐France 
Published: June 2018

Key Clinical MessageBonded partial ceramic veneer is an interesting alternative to full buccal restoration in terms of tissue economy. However, its usage is restricted to patients with a low smile line (such as the elderly) due to the visibility of the tooth/restoration limit which is a key to the therapeutic decision.
Carbon Monoxide‐Templated Synthesis of Coral‐Like Clean PtPd Nanochains as Efficient Oxygen Reduction Catalyst
Authors: Zhang Lian Ying , Wu Diben , Gong Yuyan , Liu Hongdong , Chen Wei , Bi Lei 
Published: June 2018

AbstractCoral‐like, clean PtPd bimetallic nanochains with controlled composition are successfully synthesized by using carbon monoxide as reducing agent and soft‐template. The Pt74Pd26 nanochain catalyst exhibits a much more positive half‐wave potential than pure Pt nanochains (∼35 mV) and commercial Pt/C (∼30 mV) toward the oxygen reduction reaction. Meanwhile, oxygen reduction on the Pt74Pd26 electrode has only a 4 mV degradation in half‐wave potential over 5,000 cycling period, showing superior electrochemical stability. The enhanced performance could be due to the modified electronic structure (such as downshifted d‐band center and weakened bonding to oxygenated species) and the coral‐like nanochains with mesoporous structure and clean surface. This work may demonstrate a universal approach to facilitate screening of high‐efficiency catalysts for broad energy conversion/storage systems and sensing devices.
Modeling hemodynamics in intracranial aneurysms: Comparing accuracy of CFD solvers based on finite element and finite volume schemes
Authors: Botti Lorenzo , Paliwal Nikhil , Conti Pierangelo , Antiga Luca , Meng Hui 
Published: June 2018

AbstractImage‐based computational fluid dynamics (CFD) has shown potential to aid in the clinical management of intracranial aneurysms, but its adoption in the clinical practice has been missing, partially because of lack of accuracy assessment and sensitivity analysis. To numerically solve the flow‐governing equations, CFD solvers generally rely on 2 spatial discretization schemes: finite volume (FV) and finite element (FE). Since increasingly accurate numerical solutions are obtained by different means, accuracies and computational costs of FV and FE formulations cannot be compared directly. To this end, in this study, we benchmark 2 representative CFD solvers in simulating flow in a patient‐specific intracranial aneurysm model: (1) ANSYS Fluent, a commercial FV‐based solver, and (2) VMTKLab multidGetto, a discontinuous Galerkin (dG) FE‐based solver. The FV solver's accuracy is improved by increasing the spatial mesh resolution (134k, 1.1m, 8.6m, and 68.5m tetrahedral element meshes). The dGFE solver accuracy is increased by increasing the degree of polynomials (first, second, third, and fourth degree) on the base 134k tetrahedral element mesh. Solutions from best FV and dGFE approximations are used as baseline for error quantification. On average, velocity errors for second‐best approximations are approximately 1 cm/s for a [0,125] cm/s velocity magnitude field. Results show that high‐order dGFE provides better accuracy per degree of freedom but worse accuracy per Jacobian nonzero entry as compared with FV. Cross‐comparison of velocity errors demonstrates asymptotic convergence of both solvers to the same numerical solution. Nevertheless, the discrepancy between underresolved velocity fields suggests that mesh independence is reached following different paths.
Safety, Tolerability, Pharmacokinetic and Pharmacodynamic Evaluations Following Single Oral Doses of GSK2330672 in Healthy Japanese Volunteers
Authors: Ino Hiroko , Endo Akira , Wakamatsu Akira , Ogura Hirofumi , Numachi Yotaro , Kendrick Stuart 
Published: June 2018

AbstractGSK2330672 is an inhibitor of the ileal bile acid transporter, designed to have minimal systemic exposure, and is under development as a potential therapeutic for pruritus associated with primary biliary cholangitis and other cholestatic liver diseases. A phase 1, double‐blind, placebo‐controlled, 4‐period crossover study was conducted to evaluate the safety, tolerability, and pharmacokinetic/pharmacodynamic characteristics of GSK2330672 in healthy Japanese participants. Sixteen healthy male participants received single oral doses of GSK2330672 (10‐180 mg) or placebo in each period. No serious adverse events and no adverse events leading to study discontinuation or withdrawal were reported. Drug‐related adverse events reported included gastrointestinal symptoms (mostly diarrhea) and positive fecal occult blood tests, and were all mild and resolved without any interventions. GSK2330672 was undetectable in the majority of participants’ plasma. Pharmacodynamic observations included a tendency for total serum bile acids to reduce and for serum 7α‐hydroxy‐4‐cholesten‐3‐one, a key intermediate of bile acid synthesis, to increase with increasing doses of GSK2330672. In the context of recently published indications of potential efficacy for cholestatic pruritus in non‐Japanese populations, these data support further evaluations of GSK2330672 in Japanese patients.
MoS2–Carbon Nanotube Porous 3 D Network for Enhanced Oxygen Reduction Reaction
Authors: Lee Cheesung , Ozden Sehmus , Tewari Chandra S. , Park Ok‐Kyung , Vajtai Robert , Chatterjee Kuntal , Ajayan Pulickel M. 
Published: June 2018

AbstractFuture generation power requirement triggers the increasing search for electrocatalysts towards oxygen reduction, which is the pivotal part to enhance the activity of metal–air batteries and fuel cells. The present article reports a novel 3 D composite structure weaving 1 D carbon nanotubes (CNT) and 2 D MoS2 nanosheets. The MoS2–CNT composite exhibits excellent electrocatalytic activity for the oxygen reduction reaction (ORR) in alkaline environment. Measurements show better methanol immunity and higher durability than Pt/C, which is considered the state‐of‐the‐art catalyst for ORR. Experimental results suggest that the hybridization of 1 D functionalized multiwalled CNTs (MWCNTs) and exfoliated 2 D MoS2 nanosheet results significant synergistic effect, which greatly promotes the ORR activity. This work presents a new avenue to rationally design a 3 D porous composite out of 1 D and 2 D interlaced components and demonstrate appreciable electrochemical performance of the materials towards ORR activity for fuel cells as well as metal–air batteries.
Development and performance of a 3D‐printable poly(ethylene glycol) diacrylate hydrogel suitable for enzyme entrapment and long‐term biocatalytic applications
Authors: Schmieg Barbara , Schimek Adrian , Franzreb Matthias 
Published: June 2018

AbstractPhysical entrapment of enzymes within a porous matrix is a fast and gentle process to immobilize biocatalysts to enable their recycling and long‐term use. This study introduces the development of a biocompatible 3D‐printing material suitable for enzyme entrapment, while having good rheological and UV‐hardening properties. Three different viscosity‐enhancing additives have been tested in combination with a poly(ethylene glycol) diacrylate‐based hydrogel system. The addition of polyxanthan or hectorite clay particles results in hydrogels that degrade over hours or days, releasing entrapped compounds. In contrast, the addition of nanometer‐sized silicate particles ensures processability while preventing disintegration of the hydrogel. Lattice structures with a total height of 6 mm consisting of 40 layers were 3D‐printed with all materials and characterized by image analysis. Rheological measurements identified a shear stress window of 200 < τ < 500 Pa at shear rates of 25 s−1 and 25°C for well‐defined geometries with an extrusion‐based printhead. Enzymes immobilized in these long‐term stable hydrogel structures retained an effective activity of approximately 10% compared to the free enzyme in solution. It could be shown that the reduction of effective activity is not caused by a significant reduction of the intrinsic enzyme activity but by mass transfer limitations within the printed hydrogel structures.
A companion to the preclinical common data elements on neurobehavioral comorbidities of epilepsy: a report of the TASK3 behavior working group of the ILAE/AES Joint Translational Task Force
Authors: Mazarati Andrey , Jones Nigel C. , Galanopoulou Aristea S. , Harte‐Hargrove Lauren C. , Kalynchuk Lisa E. , Lenck‐Santini Pierre‐Pascal , Medel‐Matus Jesús‐Servando , Nehlig Astrid , de la Prida Liset Menendez , Sarkisova Karine , Veliskova Jana 
Published: June 2018

SummaryThe provided companion has been developed by the Behavioral Working Group of the Joint Translational Task Force of the International League Against Epilepsy (ILAE) and the American Epilepsy Society (AES) with the purpose of assisting the implementation of Preclinical Common Data Elements (CDE) for studying and for reporting neurobehavioral comorbidities in rodent models of epilepsy. Case Report Forms (CRFs) are provided, which should be completed on a per animal/per test basis, whereas the CDEs are a compiled list of the elements that should be reported. This companion is not designed as a list of recommendations, or guidelines for how the tests should be run—rather, it describes the different types of assessments, and highlights the importance of rigorous data collection and transparency in this regard. The tests are divided into 7 categories for examining behavioral dysfunction on the syndrome level: deficits in learning and memory; depression; anxiety; autism; attention deficit/hyperactivity disorder; psychosis; and aggression. Correspondence and integration of these categories into the National Institute of Mental Health (NIMH) Research Domain Criteria (RDoC) is introduced. Developmental aspects are addressed through the introduction of developmental milestones. Discussion includes complexities, limitations, and biases associated with neurobehavioral testing, especially when performed in animals with epilepsy, as well as the importance of rigorous data collection and of transparent reporting. This represents, to our knowledge, the first such resource dedicated to preclinical CDEs for behavioral testing of rodents.
Progress in the molecular mechanisms of genetic epilepsies using patient‐induced pluripotent stem cells
Authors: Zhou Ruijiao , Jiang Guohui , Tian Xin , Wang Xuefeng 
Published: June 2018

SummaryResearch findings on the molecular mechanisms of epilepsy almost always originate from animal experiments, and the development of induced pluripotent stem cell (iPSC) technology allows the use of human cells with genetic defects for studying the molecular mechanisms of genetic epilepsy (GE) for the first time. WithiPSCtechnology, terminally differentiated cells collected fromGEpatients with specific genetic etiologies can be differentiated into many relevant cell subtypes that carry all of theGEpatient's genetic information.iPSCs have opened up a new research field involving the pathogenesis ofGE. Using this approach, studies have found that gene mutations induceGEby altering the balance between neuronal excitation and inhibition, which is associated. among other factors, with neuronal developmental disturbances, ion channel abnormalities, and synaptic dysfunction. Simultaneously, astrocyte activation, mitochondrial dysfunction, and abnormal signaling pathway activity are also important factors in the molecular mechanisms of GE.
The Change of Water Distribution in Porous Media of the Polymer Electrolyte Membrane Fuel Cell after Freeze/thaw Cycles
Authors: Ko D. , Doh S. , Yu D. I. , Park H. S. , Kim M. H. 
Published: June 2018

AbstractEffect of freeze/thaw cycles on the performance of polymer electrolyte membrane fuel cell (PEMFC) is investigated. Freeze/thaw cycle is repeated 40 times. The performance is degraded, as the number of freeze/thaw cycles increases. The maximum degradation is about 35% at high current density. The performance degradation is analyzed based on the change of water distribution. X‐ray visualization is conducted 3 times; before, after 10th and 40th freeze/thaw cycle, respectivly. The water saturation in PEMFC is getting reduced, as the number of freeze/thaw cycles increases. Over‐potential analysis is conducted using visualization result by calculating the proton conductivity. The proton conductivity is decreased about 30% at high current density after 40th freeze/thaw cycle. The change of water distribution is analyzed based on the structural change of the GDL. The water volume change upon freeze/thaw cycle leads to cracks in the micro porous layer. It facilitates water removal from the GDL and leads to low water saturation in PEMFC.
Single Cell Study of Water Transport in PEMFCs with Electrosprayed Catalyst Layers
Authors: Folgado M. A. , Conde J. J. , Ferreira‐Aparicio P. , Chaparro A. M. 
Published: June 2018

AbstractWater transport in proton exchange membrane fuel cells (PEMFCs) with electrosprayed catalyst layers is analyzed by means of water collection measurements. With this aim, single cells have been studied with different catalyst layers configuration: electrosprayed layer in cathode (EScat), in anode (ESan), and in both electrodes (ESboth). The electrosprayed catalyst layers show macroporous morphology and superhydrophobicity (water contact angle θ > 150°) . Initial polarization curves, taken after a few hours from cell start‐up, show above 20% higher maximum power density of EScat and ESan cells, compared with a conventional cell (with no electrosprayed layers). The performance improvement is due to lower internal resistance of the cell according to the polarization curves. Stability of the cells under the dry‐gas operation conditions used during water collection measurements, shows to be high only for EScat, whereas ESan, ESboth, and conventional cells suffer degradation and frequent membrane failure. Water collection experiments at variable temperature and current density reflect larger water flow towards the anode for EScat cell than for the other configurations. It is concluded that the high performance and stability of EScat is due to the enhanced water back diffusion from cathode to anode driven by the superhydrophobic electrosprayed catalyst layer in cathode. Favored back diffusion improves water balance in the cell, membrane humidification, decreases the internal resistance, and precludes anode drying and cathode flooding. The optimal cell configuration is obtained with an electrosprayed catalyst layer in the cathode and a standard hydrophilic catalyst layer in the anode.
Cognitive functioning and quality of life: Diverging views of older adults with Alzheimer and professional care staff
Authors: Dewitte Laura , Vandenbulcke Mathieu , Dezutter Jessie 
Published: June 2018

ObjectiveStaff ratings of quality of life (QOL) in dementia are often lower and more strongly related to the cognitive functioning of the person with dementia than self‐ratings. However, cognition‐related items in QOL measures and limited cognitive screening measures hamper a clear understanding of the relationship, 2 issues we addressed in the current study.MethodsWe collected data of 88 pairs of older adults with Alzheimer disease and their professional caregivers in 9 residential care settings. Both self‐report and staff report of the QOL of residents were assessed with the Quality of Life in Alzheimer's Disease. Cognitive functioning was assessed with the Mini‐Mental State Examination and a battery of specific cognitive measures.ResultsIntraclass correlations and a paired sample t test confirmed a discrepancy between self‐rating and staff rating, with staff significantly underestimating QOL as experienced by the resident. After removing the possibly confounding memory item of the Quality of Life in Alzheimer's Disease, Mini‐Mental State Examination score remained a significant predictor of staff ratings but not self‐ratings in regression analyses. Exploratory analyses of specific cognitive measures showed a significant contribution of a memory test of intentional visual association learning in the prediction of staff‐rated QOL.ConclusionsStaff reports cannot simply substitute reports of the subjective experience of residents with Alzheimer, so both judgments should be taken into account to form an adequate picture of QOL. Staff might be guided more strongly by a cognitive point of view when evaluating QOL of residents with Alzheimer disease, while the latter might have shifted their evaluation standards to cope adequately with the challenges posed by their disease.