bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Novel Family of Polyiodo‐Bromoantimonate(III) Complexes: Cation‐Driven Self‐Assembly of Photoconductive Metal‐Polyhalide Frameworks
Authors: Adonin Sergey A. , Udalova Liubov I. , Abramov Pavel A. , Novikov Alexander S. , Yushina Irina V. , Korolkov Ilya V. , Semitut Evgeniy Y. , Derzhavskaya Tatiyana A. , Stevenson Keith J. , Troshin Pavel A. , Sokolov Maxim N. , Fedin Vladimir P. 
Published: July 2018

AbstractIn the presence of different cations, reactions of [SbBr6]3− and I2 result in a new family of diverse supramolecular 1D polyiodide‐bromoantimonate networks. The coordination number of Sb, as well as geometry of assembling {Ix}n− polyhalide units, can vary, resulting in unprecedented structural types. The nature of I⋅⋅⋅Br interactions was studied by DFT calculations; estimated energy values are 1.6–6.9 kcal mol−1. Some of the compounds showed strong photoconductivity in thin films, suggesting multiple feasible applications in optoelectronics and solar energy conversion.
Bifunctional Separator Coated with Hexachlorocyclotriphosphazene/Reduced Graphene Oxide for Enhanced Performance of Lithium–Sulfur Batteries
Authors: Zheng Yanping , Fan Honghong , Li Huanhuan , Fan Chaoying , Yuan Haiyan , Yang Zhifang , Huang Kecheng , Li Wenliang , Zhang Jingping 
Published: July 2018

AbstractAlthough extensive research has been performed in the field of Li−S rechargeable batteries, commercial applications are still hindered by the dissolution of the reaction intermediates of lithium polysulfides (LiPSs). Through the combination of experimental and theoretical results, a bifunctional separator has been designed by coating hexachlorocyclotriphosphazene (HCCP)‐decorated reduced graphene oxide (rGO), which provides effective anchor sites for immobilizing the LiPSs. LiPSs can be adsorbed on the HCCP/rGO surface with moderate binding strength, and their structures and the electrical conductivity of HCCP/rGO are well maintained. The synergetic effect of the effective barrier and good electrical conductivity within the HCCP/rGO sheets efficiently anchors LiPSs and achieves enhanced electrochemical performance. More importantly, different substituents can be used to tune the immobilization of LiPSs by HCCP derivatives. Therefore, it is expected that HCCP and its derivatives can be utilized as a promising anchoring material for high‐performance Li−S batteries.
Investigating the Low Temperature Formation of CuII‐(N,O) Species on Cu‐CHA Zeolites for the Selective Catalytic Reduction of NOx
Authors: Negri Chiara , Hammershøi Peter S. , Janssens Ton V. W. , Beato Pablo , Berlier Gloria , Bordiga Silvia 
Published: July 2018

AbstractIn this work, we show the potentiality of operando FTIR spectroscopy to follow the formation of CuII‐(N,O) species on Cu exchanged chabazite zeolites (Cu‐CHA), active for the selective catalytic reduction of NOx with NH3 (NH3‐SCR). In particular, we investigated the reaction of NO and O2 at low temperature (200 and 50 °C) on a series of Cu‐CHA zeolites with different composition (Si/Al and Cu/Al ratios), to investigate the nature of the formed copper nitrates, which have been proposed to be key intermediates in the oxidation part of the SCR cycle. Our results show that chelating bidentate nitrates are the main structures formed at 200 °C. At lower temperature a mixture of chelating and monodentate nitrates are formed, together with the nitrosonium ion NO+, whose amount was found to be proportional to the zeolite Brønsted site concentration. Nitrates were found to mainly form with CuII ions stabilized by one negative framework charge (Z), Z‐[Cu(OH]I or Z‐[Cu(O2]I, without involvement of Z2‐CuII ones. This evidence, together with the absence of bridging nitrates in samples with high probability for Cu–Cu pairs, indicate that the nitrate ligands are not able to mobilize copper ions, at variance with what recently reported for NH3. Finally, water was found to replace preformed chelating copper nitrates and deplete NO+ (though with different kinetics) at both temperatures, while favouring the presence of monodentate ones.
Bridge‐Caging Strategy in Phosphorus‐Substituted Rhodamine for Modular Development of Near‐Infrared Fluorescent Probes
Authors: Chai Xiaoyun , Xiao Jin , Li Min , Wang Chaoming , An Haiyan , Li Chen , Li Yuntao , Zhang Dazhi , Cui Xiaoyan , Wang Ting 
Published: July 2018

AbstractReplacement of the bridging oxygen atom in rhodamine with phosphorus is one of the most efficient ways for bright near‐infrared (NIR) fluorophores with wavelengths over 700 nm. However, the organophosphorus bridge is more versatile than just being a spectrum tuner, it is also a profound solubility booster and photostability enhancer, as proved by a series of phosphorus‐substituted rhodamines (PRBs). A unique bridge‐caging strategy for efficiently manipulating fluorescence has further been innovated in example PRB2. Consistent with theoretical calculations, the formation of organophosphinate by a caging group as a fluorescence‐controller locks the spirolactone into a colorless and nonfluorescent form, whereas decaging, a process induced by a specific stimulus, results in a ring‐opened form, which yields strong fluorescence. The bridge‐caging strategy is feasible for the modular development of NIR probes. Efficient in vivo imaging of photoillumination, hydrogen peroxide, and enzyme have been achieved on the PRB2 scaffold as a photoactivatable fluorophore, PRB2‐hν; fluorescent indicator, PRB2‐H2O2; and fluorogenic enzyme substrate, PRB2‐NTR, respectively.
Fluorescent Sulphur‐ and Nitrogen‐Containing Porous Polymers with Tuneable Donor–Acceptor Domains for Light‐Driven Hydrogen Evolution
Authors: Schwarz Dana , Acharja Amitava , Ichangi Arun , Lyu Pengbo , Opanasenko Maksym V. , Goßler Fabian R. , König Tobias A. F. , Čejka Jiří , Nachtigall Petr , Thomas Arne , Bojdys Michael J. 
Published: July 2018

AbstractLight‐driven water splitting is a potential source of abundant, clean energy, yet efficient charge‐separation and size and position of the bandgap in heterogeneous photocatalysts are challenging to predict and design. Synthetic attempts to tune the bandgap of polymer photocatalysts classically rely on variations of the sizes of their π‐conjugated domains. However, only donor–acceptor dyads hold the key to prevent undesired electron‐hole recombination within the catalyst via efficient charge separation. Building on our previous success in incorporating electron‐donating, sulphur‐containing linkers and electron‐withdrawing, triazine (C3N3) units into porous polymers, we report the synthesis of six visible‐light‐active, triazine‐based polymers with a high heteroatom‐content of S and N that photocatalytically generate H2 from water: up to 915 μmol h−1 g−1 with Pt co‐catalyst, and—as one of the highest to‐date reported values −200 μmol h−1 g−1 without. The highly modular Sonogashira–Hagihara cross‐coupling reaction we employ, enables a systematic study of mixed (S, N, C) and (N, C)‐only polymer systems. Our results highlight that photocatalytic water‐splitting does not only require an ideal optical bandgap of ≈2.2 eV, but that the choice of donor–acceptor motifs profoundly impacts charge‐transfer and catalytic activity.
[3,3]‐Sigmatropic Rearrangement of Cyclopropenylcarbinyl Cyanates: Access to Alkylidene(aminocyclopropane) Derivatives
Authors: Ernouf Guillaume , Brayer Jean‐Louis , Folléas Benoît , Demoute Jean‐Pierre , Meyer Christophe , Cossy Janine 
Published: July 2018

AbstractCyclopropenylcarbinyl cyanates, generated in situ by dehydration of the corresponding carbamates, underwent an efficient and stereoselective [3,3]‐sigmatropic rearrangement leading to the corresponding alkylidene(isocyanatocyclopropanes), which could be converted into various alkylidene(aminocyclopropane) derivatives in a one‐pot manner. This transformation complements the repertoire of sigmatropic rearrangements involving cyclopropenylcarbinol derivatives and in particular, the previously reported Overman rearrangement of cyclopropenylcarbinyl trichloroacetimidates.
Commercially Relevant Orthogonal Multi‐Component Supramolecular Hydrogels for Programmed Cell Growth
Authors: Vieira Vânia M. P. , Lima Ana C. , de Jong Menno , Smith David K. 
Published: July 2018

AbstractThis study reports the ability of synthetically simple, commercially viable sugar‐derived 1,3:2,4‐dibenzylidenesorbitol‐4′,4“‐diacylhydrazide (DBS‐CONHNH2) to support cell growth. Simple mixing and orthogonal self‐sorting can formulate heparin, agarose, and heparin‐binding micelles into these gels—easily incorporating additional function. Interestingly, the components used in the gel formulation, direct the ability of cells to grow, meaning the chemical programming of these multi‐component gels is directly translated to the biological systems in contact with them. This simple approach has potential for future development in regenerative medicine.
On determination of interwell connectivity under immiscible gas injection process: Modified capacitance‐resistance model
Authors: Yousefi Seyed Hamidreza , Rashidi Fariborz , Sharifi Mohammad , Soroush Mohammad 
Published: July 2018

AbstractInterwell connectivity is an important parameter in reservoir management and optimization during water/gas injection. As an analytical approach, the capacitance‐resistance model (CRM) is a rapid tool that only needs some common and available data for field performance prediction. The non‐linear signal processing technique is used with the CRM to determine reservoir continuity between production and injection wells. Current CRMs are applicable in water flooding systems. In this study, a modified capacitance‐resistance model (M‐CRM) for interwell connectivity calculation in immiscible gas flooding projects is developed based on the mass balance equation. Slightly compressible flow is one of the main assumptions in CRM development while gas is compressible and the gas property variation with pressure should be scrutinized in the equations. Therefore, new equations need gas PVT properties to consider the effect of gas compressibility. Moreover, the productivity equation for oil and gas production should be revised. The constructed model that considers mass balance and the productivity equation is applied in two synthetic models and one real sector reservoir model. The genetic algorithm, as an optimization tool for solving the new model, is used and streamline simulation is selected as a validation tool for interwell connectivity parameter calculation. Based on the streamline results, it was observed that a M‐CRM is able to predict the reservoir behaviour better than a common CRM for pre/post breakthrough conditions in gas injection scenarios. Also, an analysis is performed for different parameters that affect the new model in immiscible gas flooding. Results show that modification on the mass balance equation has a greater influence than the productivity equation.
Scaling of the corpus callosum in wild and domestic canids: Insights into the domesticated brain
Authors: Spocter Muhammad A. , Uddin Ashraf , Ng Johnny C. , Wong Edmund , Wang Victoria X. , Tang Cheuk , Wicinski Bridget , Haas Jordan , Bitterman Kathleen , Raghanti Mary Ann , Dunn Rachel , Hof Patrick R. , Sherwood Chet C. , Jovanovik Jelena , Rusbridge Clare , Manger Paul R. 
Published: July 2018

AbstractAll domesticated mammals exhibit marked reductions in overall brain size, however, it is unknown whether the corpus callosum (CC), an integral white matter fiber pathway for interhemispheric cortical communication, is affected by domestication differentially or strictly in coordination with changes in brain size. To answer this question, we used quantitative magnetic resonance imaging to compare the midsagittal cross‐sectional areas of the CC in 35 carnivore species, including eight wild canids and 13 domestic dogs. We segmented rostro‐caudal regions of interest for the CC and evaluated correlations with brain mass. The results of this study indicate that under the influence of domestication in canids, the CC scales to brain size in an allometric relationship that is similar to that of wild canids and other carnivores, with relatively high correlation coefficients observed for all regions, except the rostrum. These results indicate that architectural and energetic considerations are likely to tightly constrain variation in caudal components of the CC relative to overall brain size, however fibers passing through the rostrum, putatively connecting prefrontal cortex, are less constrained and therefore may contribute more toward species‐specific differences in connectivity. Given the species diversity of the Canidae and the resurgence of interest in the brain of the domestic dog, further studies aimed at characterizing the neural architecture in domesticated species is likely to provide new insights into the effects of domestication, or artificial selection, on the brain.
Mechanism of Charge Separation and Frontier Orbital Structure in Graphitic Carbon Nitride and Graphene Quantum Dots
Authors: Ullah Naeem , Chen Shunwei , Zhang Ruiqin 
Published: July 2018

AbstractGraphene quantum dots (GQDs) and carbon nitride quantum dots (CNQDs), the latest addition to the carbon material family, are promising materials for numerous novel applications in optical sensing, photocatalysis, biosensing, and photovoltaics. However, understanding the photocatalytic capability of CNQDs compared to GQDs requires investigations of the charge behavior on the excited state energy surface. In this work, through time‐dependent density functional tight binding (TD‐DFTB) calculations, we show that CNQDs exhibit superior ground state frontier orbitals (FOs) localization. Strong localization of the FOs and excited state charge separation observed in the first excited state are caused by the relaxation of the structure. Excited energy surface investigations reveal spatial confinement of FOs to the stretched C−N bonds due to excited state structural relaxation. On the other hand, no such localized FOs structure was found for GQDs, presumably caused by its strong π‐conjugated configuration not allowing large structural changes upon excitation. The optical absorption and emission of CNQDs is sensitive to size and does not show large variations with the shape of the QD. Our approach provides an explanation for the origin of the enhanced photocatalytic performance of CNQDs over GQDs and their characteristic FOs localization.
Voltage stress analysis of a single switch high boost converter with mixed CCM‐DCM mode useful for snubber design
Authors: Roy Choudhury Tanmoy , Nayak Byamakesh , Santra Subhendu Bikash 
Published: July 2018

SummaryIn this paper, a novel analysis of a single switch boost‐flyback integrated DC‐DC converter is accomplished under mixed CCM‐DCM mode operation. Because of the impact of reverse recovery during CCM‐DCM mode operation, a large voltage stress appears on the devices in comparison with CCM‐CCM operation. The devices are required to be saved from the attack of such stresses with a proper snubber design. Thus, a complete realization of the voltage stress on the devices, required for effective snubber parameter design, is carried out in this article. Further, the effect of voltage stress on the devices under different mode of operation with variation in duty ratio and/or variation in coupled inductor energy releasing period is analyzed. Validation of this study is carried out with a prototype of 50 W capacity, operated with light load conditions to attain CCM‐DCM mode effectively.
What is dyslexia? An exploration of the relationship between teachers' understandings of dyslexia and their training experiences
Authors: Knight Cathryn 
Published: July 2018

Given that an estimated 5–10% of the worldwide population is said to have dyslexia, it is of great importance that teachers have an accurate understanding of what dyslexia is and how it effects their students. Using results from a large‐scale survey of teachers in England and in Wales (N ≈ 2,600), this paper demonstrates that teachers held a basic understanding of dyslexia, based on the behavioural issues that it is associated with. Teachers lacked the knowledge of the biological (i.e., neurological) and cognitive (i.e., processing) aspects of dyslexia. Moreover, a number of teachers mentioned visual factors in their description of dyslexia, despite there being inconclusive evidence to suggest a direct relationship between visual functioning and dyslexia. Further findings demonstrate the importance of good‐quality teacher training in increasing teachers' confidence working with those with dyslexia, while increasing their knowledge of the cognitive aspects of dyslexia. This paper argues that evidence‐based teacher training, which informs teachers of the up‐to‐date research on the biological, cognitive, and behavioural aspects of dyslexia, is essential to combat misconceptions and ensure that teachers have more nuanced and informed understandings of dyslexia.
Malt1 self‐cleavage is critical for regulatory T cell homeostasis and anti‐tumor immunity in mice
Authors: Baens Mathijs , Stirparo Rocco , Lampi Youlia , Verbeke Delphine , Vandepoel Roel , Cools Jan , Marynen Peter , de Bock Charles E. , Bornschein Simon 
Published: July 2018

AbstractMucosa‐associated lymphoid tissue 1 (Malt1) regulates immune cell function by mediating the activation of nuclear factor κB (NF‐κB) signaling through both its adaptor and proteolytic function. Malt1 is also a target of its own protease activity and this self‐cleavage further contributes to NF‐κB activity. Until now, the functional distinction between Malt1 self‐cleavage and its general protease function in regulating NF‐κB signaling and immune activation remained unclear. Here we demonstrate, using a new mouse model, the importance of Malt1 self‐cleavage in regulating expression of NF‐κB target genes and subsequent T cell activation. Significantly, we further establish that Treg homeostasis is critically linked to Malt1 function via a Treg intrinsic and extrinsic mechanism. TCR‐mediated Malt1 proteolytic activity and self‐cleavage was found to drive Il2 expression in conventional CD4+ T cells, thereby regulating Il2 availability for Treg homeostasis. Remarkably, the loss of Malt1‐mediated self‐cleavage alone was sufficient to cause a significant Treg deficit resulting in increased anti‐tumor immune reactivity without associated autoimmunity complications. These results establish for the first time that inhibition of MALT1 proteolytic activity could be a viable therapeutic strategy to augment anti‐tumor immunity.
Simultaneous electrokinetic and hydrodynamic injection and sequential stacking featuring sweeping for signal amplification following MEKC during the analysis of rapamycin (sirolimus) in serum samples
Authors: Olędzka Ilona , Kowalski Piotr , Plenis Alina , Miękus Natalia , Grabow Niels , Eickner Thomas , Bączek Tomasz 
Published: July 2018

AbstractSimultaneous electrokinetic and hydrodynamic injection of rapamycin (sirolimus) with off‐line and online sample preconcentration techniques and using MEKC has been studied. Compared to conventional hydrodynamic injection, a 168‐fold improvement in the signal was obtained with a combination of simultaneous electrokinetic and hydrodynamic injectionand field enhanced sample injection in conjunction with a sweeping technique called sequential stacking featuring sweeping. However, the coupling of the developed electrophoretic method and solid‐phase microextraction allowed the signal intensity to increase more than 231 times. In this approach, the injection of the sample at negative polarity (anode at the detector end) into the capillary and the MEKC separation was achieved within 5 min using an electrolyte (composed of 10 mM sodium tetraborate and 40 mM SDS) when ultraviolet (UV) detection was performed at 280 nm. Thus, by combining the application of the sequential stacking featuring sweeping supported by the solid‐phase microextraction clean‐up procedure, the detection limit (LOD) for rapamycin in a serum sample was significantly decreased, and was set at 25 ng/mL. The proposed combined simultaneous electrokinetic and hydrodynamic injection with field enhanced sample injection –sweeping technique following MEKC separation of sirolimus in human serum could be an effective tool in biomedical and clinical applications.
Flow force augmented 3D suspended polymeric microfluidic (SPMF3) platform
Authors: Marzban Mostapha , Dargahi Javad , Packirisamy Muthukumaran 
Published: July 2018

AbstractDetection and study of bioelements using microfluidic systems has been of great interest in the biodiagnostics field. Microcantilevers are the most used systems in biodetection due to their implementation simplicity which have been used for a wide variety of applications ranging from cellular to molecular diagnosis. However, increasing further the sensitivity of the microcantilever systems have a great effect on the cantilever based sensing for chemical and bio applications. In order to improve further the performance of microcantilevers, a flow force augmented 3D suspended microchannel is proposed using which microparticles can be conveyed through a microchannel inside the microcantilever to the detection area. This innovative microchannel design addresses the low sensitivity issue by increasing its sensitivity up to 5 times than the earlier reported similar microsystems. Moreover, fabricating this microsystem out of Polydimethylsiloxane (PDMS) would eliminate external exciter dependency in many detection applications such as biodiagnostics. In this study, the designed microsystem has been analyzed theoretically, simulated and tested. Moreover, the microsystem has been fabricated and tested under different conditions, the results of which have been compared with simulation results. Finally, its innovative fabrication process and issues are reported and discussed.
Compression of cognitive morbidity by higher education in individuals aged 75+ living in Germany
Authors: Rodriguez Francisca S. , Matschinger Herbert , Angermeyer Matthias C. , Luck Tobias , Riedel‐Heller Steffi G. 
Published: July 2018

BackgroundPrevious studies have shown that higher education may reduce dementia risk and promote a better cognitive functioning in older age.ObjectiveThe study investigated to what extent higher education leads to compression of cognitive morbidity, and thus a shorter lifetime affected by cognitive impairment and dementia, in individuals aged 75 years and older living in Germany.MethodsOur sample included n = 742 individuals of the population‐based Leipzig Longitudinal Study of the Aged (LEILA75+; 1998‐2013), who were free of dementia at baseline. The impact of higher education on compression of cognitive morbidity was studied by analyzing the association between education and (1) cognitive functioning over the study period and age at dementia onset, (2) age at death, and (3) the cumulative lifetime cognitive morbidity.ResultsIndividuals with more years of education had a higher cumulative cognitive functioning over the lifetime period 75 to 100 years (weighted for survival probability), but not a later age of dementia onset nor a later age at death.ConclusionOur results suggest, in individuals aged 75 years and older, higher education only compresses cognitive morbidity prior to dementia onset. Findings may be specific to countries where education is not a necessary requirement for access to good quality health care services.