bluuebunny/crossref_metadata_2025_split huggingface dataset:
Giant Hysteretic Single‐Molecule Electric Polarisation Switching above Room Temperature
Authors: Kato Chisato , Machida Ryo , Maruyama Rio , Tsunashima Ryo , Ren Xiao‐Ming , Kurmoo Mohamedally , Inoue Katsuya , Nishihara Sadafumi 
Published: August 2018

AbstractContinual progress has been achieved in information technology through unrelenting miniaturisation of the single memory bit in integrated ferromagnetic, ferroelectric, optical, and related circuits. However, as miniaturisation approaches its theoretical limit, new memory materials are being sought. Herein, we report a unique material exhibiting single‐molecule electric polarisation switching that can operate above room temperature. The phenomenon occurs in a Preyssler‐type polyoxometalate (POM) cluster we call a single‐molecule electret (SME). It exhibits all the characteristics of ferroelectricity but without long‐range dipole ordering. The SME affords bi‐stability as a result of the two potential positions of localisation of a Tb3+ ion trapped in the POM, resulting in extremely slow relaxation of the polarisation and electric hysteresis with high spontaneous polarisation and coercive electric fields. Our findings suggest that SMEs can potentially be applied to ultrahigh‐density memory and other molecular‐level electronic devices operating above room temperature.
Small‐Band‐Gap Halide Double Perovskites
Authors: Slavney Adam H. , Leppert Linn , Saldivar Valdes Abraham , Bartesaghi Davide , Savenije Tom J. , Neaton Jeffrey B. , Karunadasa Hemamala I. 
Published: August 2018

AbstractDespite their compositional versatility, most halide double perovskites feature large band gaps. Herein, we describe a strategy for achieving small band gaps in this family of materials. The new double perovskites Cs2AgTlX6 (X=Cl (1) and Br (2)) have direct band gaps of 2.0 and 0.95 eV, respectively, which are approximately 1 eV lower than those of analogous perovskites. To our knowledge, compound 2 displays the lowest band gap for any known halide perovskite. Unlike in AIBIIX3 perovskites, the band‐gap transition in AI2BB′X6 double perovskites can show substantial metal‐to‐metal charge‐transfer character. This band‐edge orbital composition is used to achieve small band gaps through the selection of energetically aligned B‐ and B′‐site metal frontier orbitals. Calculations reveal a shallow, symmetry‐forbidden region at the band edges for 1, which results in long (μs) microwave conductivity lifetimes. We further describe a facile self‐doping reaction in 2 through Br2 loss at ambient conditions.
Living Coordination Polymerization of a Six‐Five Bicyclic Lactone to Produce Completely Recyclable Polyester
Authors: Zhu Jian‐Bo , Chen Eugene Y.‐X. 
Published: August 2018

AbstractThe development of chemically recyclable polymers promises a closed‐loop approach towards a circular plastic economy but still faces challenges in structure/property diversity and depolymerization selectivity. Here we report the first successful coordination ring‐opening polymerization of 4,5‐trans‐cyclohexyl‐fused γ‐butyrolactone (M1) with lanthanide catalysts at room temperature, producing P(M1) with Mn up to 89 kg mol−1, high thermal stability, and a linear or cyclic topology. The same catalyst also catalyses selective depolymerization of P(M1) back to M1 exclusively at 120 °C. This coordination polymerization is also living, enabling the synthesis of well‐defined block copolymer.
United in Nitride: The Highly Condensed Boron Phosphorus Nitride BP3N6
Authors: Vogel Sebastian , Buda Amalina T. , Schnick Wolfgang 
Published: August 2018

AbstractOwing to intriguing materials properties non‐metal nitrides are of special interest for both, solid‐state chemistry and materials science. Mixed ternary non‐metal nitrides, however, have only been sparsely investigated, as preparative chemistry lacks a systematic access, yet. Herein, we report on the highly condensed boron phosphorus nitride BP3N6, which was synthesized from (PNCl2)3, NH4N3 and h‐BN in a high‐pressure high‐temperature reaction. By increasing partial pressure of HCl during synthesis using NH4Cl, single‐crystals of BP3N6 up to 80 μm in length were obtained. The unprecedented framework‐type structure determined by single‐crystal XRD blends structural motifs of both, α‐P3N5 and c‐BN, rendering BP3N6 a double nitride. The compound was further investigated by Rietveld refinement, EDX, temperature‐dependent PXRD, FTIR and solid‐state NMR spectroscopy. The formation of BP3N6 through use of reactive precursors exemplifies an innovative access to mixed non‐metal nitrides.
Ultraparamagnetic Cells Formed through Intracellular Oxidation and Chelation of Paramagnetic Iron
Authors: Ramesh Pradeep , Hwang Son‐Jong , Davis Hunter C. , Lee‐Gosselin Audrey , Bharadwaj Vivek , English Max A. , Sheng Jenny , Iyer Vasant , Shapiro Mikhail G. 
Published: August 2018

AbstractMaking cells magnetic is a long‐standing goal of chemical biology, aiming to enable the separation of cells from complex biological samples and their visualization in vivo using magnetic resonance imaging (MRI). Previous efforts towards this goal, focused on engineering cells to biomineralize superparamagnetic or ferromagnetic iron oxides, have been largely unsuccessful due to the stringent required chemical conditions. Here, we introduce an alternative approach to making cells magnetic, focused on biochemically maximizing cellular paramagnetism. We show that a novel genetic construct combining the functions of ferroxidation and iron chelation enables engineered bacterial cells to accumulate iron in “ultraparamagnetic” macromolecular complexes, allowing these cells to be trapped with magnetic fields and imaged with MRI in vitro and in vivo. We characterize the properties of these cells and complexes using magnetometry, nuclear magnetic resonance, biochemical assays, and computational modeling to elucidate the unique mechanisms and capabilities of this paramagnetic concept.
Importance of peripheral basins: Implications for the conservation of fish assemblages
Authors: Bylak Aneta , Kukuła Krzysztof 
Published: August 2018

Abstract

The upper Dniester River basin (Black Sea basin) contains unique fish assemblages. Although data on the fish of the basin are scarce, evidence indicates that these assemblages have declined. It was assumed that the peripheral basins (i.e. small basins on the edge of the larger basin) of the upper Dniester River basin could maintain good ecological status. To fill the knowledge gaps and assess the role of peripheral basins on fish species and assemblage conservation, research was conducted in the Strwiąż River basin.
Data from the Strwiąż basin and the adjacent but unconnected upper Wiar basin (the Vistula basin; Baltic Sea basin) were compared in order to examine the influence of historical factors, and to confirm the unique characteristics of the fish assemblages of the peripheral area of the upper Dniester basin. A detailed analysis of the fish assemblages was performed, the primary morphological characteristics of sites that corresponded to the requirements of the fish assemblages were defined, and the human impacts were identified.
The Strwiąż River basin is likely to be the only fragment of the upper Dniester basin with a well‐preserved fish assemblage. It features high species richness and numerous native Ponto–Caspian species that function near the edge of their ranges. The extant fish fauna of the Strwiąż River basin can provide a point of reference for other tributaries of the upper Dniester River that are degraded.
We draw attention to the fact that peripheral basins, which are not usually considered in conservation biogeography, can be important for the protection of fish species and entire fish assemblages. This study provides one of the most convincing arguments for a more detailed investigation of peripheral populations.
Swarm intelligence to solve the curriculum sequencing problem
Authors: Menai Mohamed E. B. , Alhunitah Hamad , Al‐Salman Hussein 
Published: August 2018

AbstractThe curriculum sequencing (CS) problem asks to find a personalized optimal path for a learner in an e‐learning environment. Solving this problem contributes to developing adaptive e‐learning systems which provide personalized learning paths compatible with the individual profiles of the learners. The solutions to large CS instances can be only approximated as this problem is NP‐hard. In this paper, we formulate the CS problem as a constraint satisfaction problem and investigate swarm intelligence methods to solve it, including a newly introduced method called SwarmRW and the widely used ant colony system (ACS). In addition, we introduce two variants of SwarmRW, called SwarmRW_rnd and SwarmRW_inc. The performance results obtained on real data show that SwarmRW_rnd achieved the best results in terms of maximizing the number of satisfied constraints. However, SwarmRW_inc demonstrated the best trade‐off between the solution quality and the running‐time to obtain it.
Flow‐Based Deacidification of Geobacter sulfurreducens Biofilms Depends on Nutrient Conditions: a Microfluidic Bioelectrochemical Study
Authors: Zarabadi Mir Pouyan , Charette Steve J. , Greener Jesse 
Published: August 2018

AbstractBiofilms from Geobacter sulfurreducens are promising materials for new bioelectrochemical systems. To improve the performance of such systems, limitations related to biofilm acidification should be addressed. This work examines a long‐held assumption that liquid flow can deacidify biofilm pH by enhancing molecular mass transport in the biofilm subdomain. A microfluidic electrochemical system was used to measure changes to biofilm pH in situ while accurately modulating hydrodynamic conditions under turnover, nutrient‐limited and starvation conditions. We discovered that increased flow rates could indeed mitigate biofilm acidification, but not under turnover concentrations, which are the predominant conditions used in research studies. This effect is demonstrated with the observation that relative increases to bio‐current under increased flow rates were stronger for experiments conducted under nutrient‐limited concentrations compared to turnover concentrations. This can open the way for a solution to poor performance of some bioelectrochemical systems at low concentrations.
Arsenic Catalysis: Hydroboration of Aldehydes Using a Benzo‐Fused Diaza‐benzyloxy‐arsole
Authors: Ould Darren M. C. , Melen Rebecca L. 
Published: August 2018

AbstractThe first example of a homogenous AsIII catalyst for hydroboration has been established. The reaction of N,N′‐diisopropylbenzene diamine or toluene‐3,4‐dithiol with AsCl3 yielded the chloroarsoles (1 and 2), which upon reaction with benzyl alcohol yielded the benzyloxy benzo‐1,3,2‐diazaarsole (3) and benzo‐1,3,2‐dithiaarsole (4), respectively. Compound 3 was found to be an excellent catalyst for the hydroboration of aldehyde substrates.
Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure–Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies
Authors: Sharma Vashundhra , Jaiswal Pradeep K. , Kumar Surendra , Mathur Manas , Swami Ajit K. , Yadav Dharmendra K. , Chaudhary Sandeep 
Published: August 2018

AbstractTo explore the potential of aporphine alkaloids, a novel series of functionalized aporphine analogues with alkoxy (OCH3, OC2H5, OC3H7) functional groups at C1/C2 of ring A and an acyl (COCH3 and COPh) or phenylsulfonyl (SO2Ph and SO2C6H4‐3‐CH3) functionality at the N6 position of ring B of the aporphine scaffold were synthesized and evaluated for their arachidonic acid (AA)‐induced antiplatelet aggregation inhibitory activity and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) free‐radical‐scavenging antioxidant activity, with acetylsalicylic acid and ascorbic acid as standard references, respectively. The preliminary structure–activity relationship related to AA‐induced platelet aggregation inhibitory activity results showed that the aporphine analogues 1‐[1,2,9,10‐tetramethoxy‐6a,7‐dihydro‐4H‐dibenzo[de,g]quinolin‐6(5H)‐yl]ethanone and 1‐[2‐(benzyloxy)‐1,9,10‐trimethoxy‐6a,7‐dihydro‐4H‐dibenzo[de,g]quinolin‐6(5H)‐yl]ethanone to be the best compounds of the series. Moreover, the DPPH free‐radical‐scavenging antioxidant activity results demonstrated that the aporphine analogues 1,2,9,10‐tetramethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, 2‐ethoxy‐1,9,10‐trimethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, 1‐ethoxy‐2,9,10‐trimethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, 2,9,10‐trimethoxy‐6‐(methylsulfonyl)‐1‐propoxy‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, and 1‐(benzyloxy)‐2,9,10‐trimethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline were the best compounds of the series. Moreover, in silico molecular docking simulation studies of the active analogues were also performed.
Detrital zircon record of rivers' sediments in the North Qilian Orogenic Belt: Implications of the tectonic evolution of the northeastern Tibetan Plateau
Authors: Kang Huan , Chen Yuelong , Li Dapeng , Bao Chuang , Chen Yawen , Xue Hua 
Published: August 2018

The North Qilian Orogenic Belt (NQOB) is an important element of the northern edge of the Tibetan Plateau, and several rivers run along it. Zircon U–Pb dating, trace elements, and Hf isotopic data derived from the sediments carried by the rivers have been used to deduce the crustal evolution of the NQOB. U–Pb ages obtained from detrital zircons found in the sediments of the Zamu, Zhuanglan, and Beida rivers can be divided into five major age groups, that is, 2,600–1,500, 1,500–1,100, 1,100–650, 550–400, and 360–150 Ma, and the corresponding peaks occur at ~2,450, ~1,750, ~950, ~450, and ~250 Ma. Archean components, which may be derived from the ancient continental nucleus in the region, are rare in the river sediments. The zircon grains with ages of 360–150 Ma are most likely related to crustal thickening and decompression melting in a post‐collisional tectonic setting. The age distribution patterns indicate that the sediments carried by the Zamu, Zhuanglang, and Beida rivers are derived from the NQOB. Furthermore, the Hf isotopic compositions of Meso‐ and Neoarchean, Mesoproterozoic, Grenvillian, Pan‐African, Caledonian, and Hercynian zircon age groups exhibit a wide range of εHf (t) values, suggesting diverse sources. The existence of strongly negative εHf (t) values among the Grenvillian and Paleoproterozoic zircons indicates that the source magma included reworked Palaeoarchean crustal materials. New results indicate that continental rifting and the opening of the Qilian Ocean occurred at 775–520 Ma; the subduction and closure of the Qilian Ocean occurred at 520–440 Ma; arc–continent collision and continental subduction occurred at 440–420 Ma; and orogen collapse and extension occurred at 400–360 Ma. Our study indicates that the formation of the NQOB was mainly related to the evolutionary history of the Proto‐Tethys Ocean.
Three‐step algorithm for biological therapy targeted IgE and IL‐5 in severe asthma
Authors: Oishi Keiji , Matsunaga Kazuto 
Published: August 2018

AbstractIntroductionRecently, several new biological therapies targeted IgE and IL‐5 in severe asthma have been developed and approved. In the last few years, there have been some reports on the therapeutic algorithms for severe asthmatic subjects screened by biomarkers. However, these algorithms have one problem. In atopic/eosinophilic overlapping asthmatic subjects, there is no effective answer to the question: “which is the optimal choice between Anti‐IgE and anti‐IL‐5?”MethodsWe propose a new three‐step algorithm for biological therapy in severe asthma.ResultsStep 1 is to divide subjects into four groups by measuring blood eosinophils and FeNO. Step 2 is to divide the subjects further into six groups by atopy test. In the case of elevated blood eosinophils, normal/elevated FeNO, and atopy, we perform a steroid trial in step 3 in order to decide whether to select anti‐IgE or anti‐IL‐5. The steroid trial is to assess the symptoms of asthma, lung function, blood eosinophils, and FeNO before and after 14 days treatment with 0.5 mg/kg oral prednisolone/day. We judge that cases in which blood eosinophils and FeNO decrease together are not “truely steroid resistance.” In such cases, considering the possibility that allergic type inflammation through adaptive immunity is dominant, anti‐IgE is selected when it is difficult to prevent exacerbations by improving environmental factors. Conversely, we consider that cases in which blood eosinophils and/or FeNO do not decrease, are “truely steroid resistance.” In this case, since there is a possibility that non‐allergic type inflammation due to innate immunity, etc. may remain, anti‐IL‐5, which is expected to be effective for steroid‐resistant eosinophilic inflammation, is selected.ConclusionsOur three‐step algorithm including the steroid trial may be applicable to companion diagnostics testing for molecularly targeted therapies in severe asthma. Further validation is required to examine the effectiveness of this algorithm.
Simulation of Local Head Loss in Trickle Lateral Lines Equipped with In‐line Emitters Based on Dimensional Analysis
Authors: Wang Yalin , Zhu Delan , Zhang Lin , Zhu Shijiang 
Published: August 2018

Abstractin order to investigate local head loss in trickle lateral lines equipped with integrated in‐line emitters, experiments were conducted on four common drip irrigation pipes of varying size, and CFD software was used to simulate and verify the results. Simulations of total head loss agreed well with the experimental data. Local head loss was related to the inner diameter of laterals, inner diameter of emitters, emitter length, water flow velocity, and kinematic viscosity. The ratio of local head loss to frictional head loss was closely related to emitter spacing. For example, the local head loss in a drip irrigation pipe with a 16 mm diameter was 0.23 ~ 1.89 times the frictional head loss. Local head loss in laterals is small under laminar flow conditions and can be neglected in most cases. This research provides a reference for hydraulic calculations of pipe networks. © 2018 John Wiley & Sons, Ltd.
Predicting credit card delinquencies: An application of deep neural networks
Authors: Sun Ting , Vasarhelyi Miklos A. 
Published: August 2018

SummaryThe objective of this paper is twofold. First, it develops a prediction system to help the credit card issuer model the credit card delinquency risk. Second, it seeks to explore the potential of deep learning (also called a deep neural network), an emerging artificial intelligence technology, in the credit risk domain. With real‐life credit card data linked to 711,397 credit card holders from a large bank in Brazil, this study develops a deep neural network to evaluate the risk of credit card delinquency based on the client's personal characteristics and the spending behaviours. Compared with machine‐learning algorithms of logistic regression, naive Bayes, traditional artificial neural networks, and decision trees, deep neural networks have a better overall predictive performance with the highest F scores and area under the receiver operating characteristic curve. The successful application of deep learning implies that artificial intelligence has great potential to support and automate credit risk assessment for financial institutions and credit bureaus.
Front Cover: Photodynamic opening of the blood‐brain barrier and pathways of brain clearing (J. Biophotonics 8/2018)
Authors: Semyachkina‐Glushkovskaya Oxana , Chehonin Vladimir , Borisova Ekaterina , Fedosov Ivan , Namykin Anton , Abdurashitov Arkady , Shirokov Alexander , Khlebtsov Boris , Lyubun Yelena , Navolokin Nikita , Ulanova Mariya , Shushunova Natalia , Khorovodov Alexander , Agranovich Ilana , Bodrova Anastasia , Sagatova Madina , Shareef Ali Esmat , Saranceva Elena , Iskra Tatyana , Dvoryatkina Mariya , Zhinchenko Ekaterina , Sindeeva Olga , Tuchin Valery , Kurths Jurgen 
Published: August 2018

Fluorescent microscopy of the brain clearing from the FITC‐dextran (red color) via the meningeal lymphatic vessels (green color, labelled by specific antibodies LYVE‐1 conjugated with Alexa 488). The FITC‐dextran injected intravenously immediately is observed in the Sagittal sinus (the main cerebral vein) and after photodynamic opening of blood‐brain barrier it is also presented in the meningeal lymphatic vessels due to activation of brain clearing from accumulated the FITC‐dextran in the brain parenchyma.Further details can be found in the article by Oxana Semyachkina‐Glushkovskaya, Vladimir Chehonin, Ekaterina Borisova, et al. (e201700287)
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Back Cover: Assessment of the dynamics of human glymphatic system by near‐infrared spectroscopy (J. Biophotonics 8/2018)
Authors: Myllylä Teemu , Harju Markus , Korhonen Vesa , Bykov Alexander , Kiviniemi Vesa , Meglinski Igor 
Published: August 2018

A functional near‐infrared spectroscopy (fNIRS) based approach to non‐invasive monitoring of the (g)lymphatic system in the human brain. The cover figure shows depth sensitivity of fNIRS, particularly at the wavelength of 980 nm, for sensing dynamic variations of water and cerebrospinal fluid (CSF) volume, e.g. in the subarachnoid space. Observed fluctuations in water content correlated with magnetic resonance encephalography (MREG) signals during visual task, further, are assumed to be connected with the glymphatic circulation.Further details can be found in the article by Teemu Myllylä, Markus Harju, Vesa Korhonen, et al. (e201870154)
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Citric acid reduces oral biofilm and influences the electrochemical behavior of titanium: Anin situandin vitrostudy
Authors: Souza João G. S. , Cordeiro Jairo M. , Lima Carolina V. , Barão Valentim A. R. 
Published: August 2018

AbstractBackgroundCitric acid (CA) has been suggested as an effective antimicrobial agent against biofilms formed on titanium. However, the antimicrobial effect of CA in biofilms formed in the oral environment and its effects on the physical properties of titanium surface remain unknown. Therefore, this study evaluated the antimicrobial effect of CA onin situbiofilm, whether this treatment favors the bacteria recolonization and its effect on the electrochemical properties of titanium.MethodsIn thein situtest, volunteers wore a palatal appliance containing titanium discs. After 7 days, the discs (N = 21) were exposedin vitroto the following treatments: immersion in 0.9% sodium chloride (control); 40% CA immersion; and 40% CA rubbing. Afterwards, these discs (N = 18) were exposedin vitroto new bacterial adhesion withStreptococcus sanguinis. New discs (N = 18) without biofilm were exposed to the treatments and subjected to electrochemical tests and surface characterization. Data were analyzed by one‐way ANOVA followed by Tukey's HSD test.ResultsThe CA groups showed a significant reduction (≈ 5‐log reduction) in the biofilm formedin situcompared with the control group (p < 0.05), but no difference was found between CA application methods (p = 0.680). The acid treatment did not favor the recolonization of bacteria (p = 0.629). CA treatment did not influence the polarization resistance and capacitance of the oxide film, but statistically enhanced the electrochemical stability of titanium.ConclusionCitric acid appears to be an effective clinical alternative for treatment of the main etiologic factor in dental implant failure, biofilm formation, enhancing electrochemical behavior of titanium.