bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Catalytic Microwave Process for Superfast Preparation of High‐Quality Reduced Graphene Oxide
Authors: Liu Runze , Zhang Yu , Ning Zhenjian , Xu Yuxi 
Published: September 2017

AbstractHerein we report that a small amount of graphite can unexpectedly act as the catalyst to greatly promote the microwave exfoliation and reduction of graphite oxide in ambient air. The reaction can be finished in a few seconds in contrast to more than ten minutes without catalyst. The catalytic microwave exfoliated graphite oxide (CMEGO) is of higher quality than the traditional microwave exfoliated graphite oxide, including a much higher exfoliation degree with thinner graphene sheets and higher specific surface area (886 m2 g−1 vs. 466 m2 g−1), a much larger C/O ratio (19.4 vs. 6.3) and a higher lattice crystallinity, as well as significantly improved electrical conductivity (53180 S m−1 vs. 5140 S m−1). The CMEGO is used as anode for lithium‐ion battery (LIB) and sodium‐ion battery (SIB), and delivers ultrahigh reversible capacities, remarkable rate capabilities, and superior cycling stabilities in both LIB and SIB.
Strand Displacement in Coiled‐Coil Structures: Controlled Induction and Reversal of Proximity
Authors: Gröger Katharina , Gavins Georgina , Seitz Oliver 
Published: September 2017

AbstractCoiled‐coil peptides are frequently used to create new function upon the self‐assembly of supramolecular complexes. A multitude of coil peptide sequences provides control over the specificity and stability of coiled‐coil complexes. However, comparably little attention has been paid to the development of methods that allow the reversal of complex formation under non‐denaturing conditions. Herein, we present a reversible two‐state switching system. The process involves two peptide molecules for the formation of a size‐mismatched coiled‐coil duplex and a third, disruptor peptide that targets an overhanging end. A real‐time fluorescence assay revealed that the proximity between two chromophores can be switched on and off, repetitively if desired. Showcasing the advantages provided by non‐denaturing conditions, the method permitted control over the bivalent interactions of the tSH2 domain of Syk kinase with a phosphopeptide ligand.
Enzymatic Synthesis, Amplification, and Application of DNA with a Functionalized Backbone
Authors: Chen Tingjian , Romesberg Floyd E. 
Published: September 2017

AbstractThe ability to amplify DNA along with its unprecedented sequence control has led to its use for different applications, but all are limited by the properties available to natural nucleotides. We previously reported the evolution of polymerase SFM4‐3, which better tolerates 2′‐modified substrates. To explore the utility of SFM4‐3, we now report the characterization of its recognition of substrates with 2′‐azido, 2′‐chloro, 2′‐amino, or arabinose sugars. We find that SFM4‐3 can efficiently synthesize polymers composed of these nucleotides, and most interestingly, that SFM4‐3 can also PCR amplify these modified oligonucleotides. When combined with post‐amplification modification, the latter allows for the exponential amplification of polymers that may be functionalized with desired moieties arrayed in a controlled fashion, the utility of which we demonstrate with extensive small molecule functionalization and the production and initial characterization of a novel DNA hydrogel.
Fluorine Effects on Group Migration via a Rhodium(V) Nitrenoid Intermediate
Authors: Wang Cheng‐Qiang , Zhang Yu , Feng Chao 
Published: September 2017

AbstractAn unprecedented rhodium(III)‐catalyzed hydroarylation of α,α‐difluoromethylene alkynes with N‐pivaloxyl aroylamides through sequential C−H activation and aryl migration is detailed herein. A large array of α,α‐difluoromethylene alkynes and N‐pivaloxyl aryl amides were amenable to this transformation, thus providing a novel synthetic protocol for the construction of difluorinated 2‐alkenyl aniline derivatives in high yields and with excellent regioselectivity. Notably, unique fluorine effects were found to underlie the thus unconventional reaction manifold.
Wireless Electrochemical Actuation of Conducting Polymers
Authors: Gupta Bhavana , Goudeau Bertrand , Kuhn Alexander 
Published: September 2017

AbstractElectrochemical actuation of conducting polymers usually requires a direct connection to an electric power supply. In this contribution, we suggest to overcome this issue by using the concept of bipolar electrochemistry. This allows changing the oxidation state of the polymer in a gradual and wireless way. Free‐standing polypyrrole films were synthesized with an intrinsic morphological asymmetry of their two faces in order to form a bilayer structure. Immersing such objects in an electrolyte solution and exposing them to a potential gradient leads to the asymmetric oxidation/reduction of the polymer, resulting in differential shrinking and swelling along the main axis. This additional asymmetry is responsible for a structural deformation. Optimization allowed highly efficient bending, which is expected to open up completely new directions in the field of actuation due to the wireless mode of action.
Synthesis and structural and DNA binding studies of mono‐ and dinuclear copper(II) complexes constructed with ─O and ─N donor ligands: Potential anti‐skin cancer drugs
Authors: Gurudevaru Champaka , Gopalakrishnan Mohan , Senthilkumar Kabali , Hemachandran Hridya , Siva Ramamoorthy , Srinivasan Thothadri , Velmurugan Devadasan , Shanmugan Swaminathan , Palanisami Nallasamy 
Published: September 2017

Mononuclear and dinuclear copper(II) complexes with thiophenecarboxylic acid, [Cu(3‐TCA)2(2,2′‐bpy)] (1), [Cu(3‐Me‐2‐TCA)2(H2O)(2,2′‐bpy)] (2), [Cu(5‐Me‐2‐TCA)2(H2O)(2,2′‐bpy)] (3) and [Cu2(2,5‐TDCA)(DMF)2(H2O)2(2,2′‐bpy)2](ClO4)2 (4) (where 3‐TCA = 3‐thiophenecarboxylic acid; 3‐Me‐2‐TCA = 3‐methyl‐2‐thiophenecarboxylic acid; 5‐Me‐2‐TCA = 5‐methyl‐2‐thiophenecarboxylic acid; 2,5‐TDCA = thiophene‐2,5‐dicarboxylic acid; 2,2′‐bpy = 2,2′‐bipyridyl; DMF = N,N‐dimethylformamide), were synthesized. Compounds 1–4 were extensively characterized using both analytical and spectroscopic methods. Additionally, the solid‐state structures of 1 and 4 were unambiguously established from single‐crystal X‐ray diffraction studies. The hexacoordinated Cu(II) centre in 1 (CuO4N2) is a distorted octahedral geometry whereas the pentacoodinated 4 (CuO3N2) has distorted square pyramidal geometry. Compounds 1 and 4 exhibit intermolecular hydrogen bonding which leads to the formation of two‐ and three‐dimensional supramolecular architectures, respectively. Spectrophotometric and computational investigations suggest that these compounds bind with DNA in minor groove binding such that Kb = 4.9 × 105 M−1 and Ksv = 3.4 × 105 M−1, and binding score of −5.26 kcal mol−1. The binding affinity of these complexes to calf thymus DNA is in the order 2 > 3 > 4 > 1. Methyl‐substituted thiophene ring increases the DNA binding affinity whereas unsubstituted thiophene ring DNA binding rate is reduced. The methyl group on the thiophene ring would sterically hinder π–π stacking of the ring with DNA base pairs, and subsequently they are involved in hydrophobic interaction with the DNA surface rather than partial intercalative interaction. Compounds 1–4 show pronounced activity against B16 mouse melanoma skin cancer cell lines as measured by MTT assay yielding IC50 values in the micromolar concentration range. The compounds could prove to be efficient anti‐cancer agents, since at a concentration as low as 2.1 μg ml−1 they exerted a significant cytotoxic effect in cancer cells whereas cell viability was not affected in normal cells.
Mono‐ and tetranuclear copper(I) complexes with N‐heterocyclic chelating and triphenylphosphine ligands: Crystal structures, luminescent and heterogeneous catalytic properties
Authors: Xu Yuling , Shen Kesheng , Mao Shanshan , Shi Xinkui , Wu Huilu , Fan Xuyang 
Published: September 2017

N‐heterocyclic chelating and triphenylphosphine ligands react with cuprous halide to form a variety of copper(I) complexes, namely, mononuclear [Cu(PBO)(PPh3)Br].CH2Cl2 (1) and [Cu(PBM)(PPh3)I] (2) (PBO = 2‐(2′‐Pyridyl)benzoxazole, PBM = 2‐(2′‐Pyridyl)benzimidazole, PPh3 = triphenylphosphine) and tetranuclear [Cu4(μ2‐I)2(μ3‐I)2(PPh3)4].2CH2Cl2 (3) have been synthesized and characterized. Complexes 1 and 2 are basically alike; both of them are mononuclear and four‐coordinated, possessing a slightly distorted trigonal pyramidal geometry. Complex 3 is tetranuclear and the coordination numbers of the two copper(I) atoms are three and four, Cu(1) forming an approximate trigonal planar coordination environment, while Cu(2) is a slightly distorted trigonal pyramidal geometry, resulting in a distorted chair‐like conformation. Complexes 1 and 2 are emissive in the solid state at ambient temperature, with the maxima at 552 and 602 nm, respectively, due to a MLCT excited state. Moreover, complex 3 manifests promising heterogeneous catalytic activities for the degradation of methylene blue (MB), with degradation efficiency of 99% under ambient light.
Neural Network Dynamic Surface Backstepping Control for the Speed and Tension System of Reversible Cold Strip Rolling Mill
Authors: Liu Le , Han Yu , Fang Yiming , Lin Minghao , Shao Nuan 
Published: September 2017

AbstractTo weaken the influences of uncertainties and system coupling items on the coordinated tracking control performance of the speed and tension system of a reversible cold strip rolling mill, a control strategy is proposed based on nonlinear disturbance observers (NDOs), dynamic surface backstepping control, and neural network adaptive approximation. First, the transformation form of the system model is given, and then NDOs are developed to counteract the unmatched uncertainties. Next, controllers for the speed and tension system are presented by combining backstepping with dynamic surface control. Again, the neural network adaptive method is used to approximate the matched uncertainties of the system, and the approximation values are introduced into the designed controllers for compensation. Finally, simulation research is carried out on the speed and tension system of a 1422 mm reversible cold strip rolling mill by using the actual data, and the results show the validity of the proposed control strategy in comparison with the decentralized overlapping control strategy.
Quantification through TLC‐densitometric analysis, repellency and anticholinesterase activity of the homemade extract of Indian cloves
Authors: Affonso Raphael S. , Lima Josélia A. , Lessa Bruno M. , Caetano João V. O. , Obara Marcos T. , Nóbrega Andréa B. , Nepovimova Eugenie , Musilek Kamil , Kuca Kamil , Slana Gláucia B. C. A. , França Tanos C. C. 
Published: September 2017

AbstractThe rise of the mosquitoes‐transmitted diseases, like dengue, zika and chikungunya in Brazil in the last years has increased concerns on protection against mosquitoes bites. However, the prohibitive prices of the commercially available repellents for the majority of the Brazilian population has provoked a search for cheaper solutions, like the use of the homemade ethanolic extract of Indian clove (Syzygium aromaticum L.) as repellent, which has been reported as quite efficient by the local press. In order to verify this, we performed here the quantification of the main components of this extract through high‐performance thin‐layer chromatography (HPTLC)–densitometry and evaluated its efficiency as a repellent and its acetylcholinesterase (AChE) inhibition capacity. Our results have proved HPTLC–densitometry as an efficient and appropriate method for this quantification and confirmed the repellency activity, as well as its capacity of AChE inhibition.
The effect of preprocessing in dynamic functional network connectivity used to classify mild traumatic brain injury
Authors: Vergara Victor M. , Mayer Andrew R. , Damaraju Eswar , Calhoun Vince D. 
Published: September 2017

AbstractIntroductionDynamic functional network connectivity (dFNC), derived from magnetic resonance imaging (fMRI), is an important technique in the search for biomarkers of brain diseases such as mild traumatic brain injury (mTBI). At the individual level, mTBI can affect cognitive functions and change personality traits. Previous research aimed at detecting significant changes in the dFNC of mTBI subjects. However, one of the main concerns in dFNC analysis is the appropriateness of methods used to correct for subject movement. In this work, we focus on the effect that rearranging movement correction at different points of the processing pipeline has in dFNC analysis utilizing mTBI data.MethodsThe sample cohort consists of 50 mTBI patients and matched healthy controls. A 5‐min resting‐state run was completed by each participant. Data were preprocessed using different pipeline alternatives varying with the place where motion‐related variance was removed. In all pipelines, group‐independent component analysis (gICA) followed by dFNC analysis was performed. Additional tests were performed varying the detection of temporal spikes, the number of gICA components, and the sliding‐window size. A linear support vector machine was used to test how each pipeline affects classification accuracy.ResultsResults suggest that correction for motion variance before spatial smoothing, but leaving correction for spiky time courses after gICA produced the best mean classification performance. The number of gICA components and the sliding‐window size were also important in determining classification performance. Variance in spikes correction affected some pipelines more than others with fewer significant differences than the other parameters.ConclusionThe sequence of preprocessing steps motion regression, smoothing, gICA, and despiking produced data most suitable for differentiating mTBI from healthy subjects. However, the selection of optimal preprocessing parameters strongly affected the final results.
Bimetallic Co‐Mn Perovskite Fluorides as Highly‐Stable Electrode Materials for Supercapacitors
Authors: Shi Wei , Ding Rui , Li Xudong , Xu Qilei , Ying Danfeng , Huang Yongfa , Liu Enhui 
Published: September 2017

AbstractBimetallic Co−Mn perovskite fluorides (KCoxMn1−xF3, denoted as K‐Co‐Mn‐F) with various Co/Mn ratios (1:0, 12:1, 6:1, 3:1, 1:1, 1:3, 0:1) were prepared through a one‐pot solvothermal strategy and further used as electrode materials for supercapacitors. The optimal K‐Co‐Mn‐F candidate (Co/Mn=6:1) showed a size range of 0.1–1 μm and uniform elemental distribution; exhibiting small changes in XRD peaks and XPS binding energy in comparison to the bare K‐Co‐F and K‐Mn‐F, due to the structural/electronic effects. Owing to the stronger synergistic effect of Co/Mn redox species, the K‐Co‐Mn‐F (Co/Mn=6:1) electrode exhibited superior specific capacity and rate behavior (113–100 C g−1 at 1–16 Ag−1) together with excellent cycling stability (118 % for 5000 cycles at 8 Ag−1), and the activated carbon (AC)//K‐Co‐Mn‐F (Co/Mn=6:1) asymmetric capacitor showed superior energy and power densities (8.0–2.4 Wh kg−1 at 0.14–8.7 kW kg−1) along with high cycling stability (90 % for 10 000 cycles at 5 Ag−1).
Synergetic Metals on Carbocatalyst Shungite
Authors: Gusmão Rui , Sofer Zdeněk , Bouša Daniel , Pumera Martin 
Published: September 2017

AbstractThe naturally occurring Palaeoproterozoic carbon mineral shungite is a complex raw carbon microporous matrix, loaded with a wide range of elements. Shungite exhibits a disordered and amorphous structure with highly irregular building blocks. Shungite incorporates metals in its structure; typically catalytic elements such Fe and Ni are present, as well as the toxic elements Pb and As at mg g−1 levels. We show here that incorporation of the metals in the carbon matrix of shungite leads into synergistic catalytic effect. We investigate the application of shungite in energy related electrochemical catalytic reactions, such as the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). All elements have a synergetic effect, thus contributing for shungite′s interesting catalytic performance towards a different range of electrochemical reactions, outperforming other tested carbon allotropes, such as carbon black, metal loaded carbon nanotubes, fullerene, and glassy carbon. These findings have profound impact on the application of the natural carbon materials for catalysis.
Comparison of mid‐ to long‐term clinical outcomes between anatomical testing and usual care in patients with suspected coronary artery disease: A meta‐analysis of randomized trials
Authors: Hwang In‐Chang , Choi Sol Ji , Choi Ji Eun , Ko Eun‐Bi , Suh Jae Kyung , Choi Insun , Kang Hyun‐Jae , Kim Yong‐Jin , Kim Joo Youn 
Published: September 2017

BackgroundControversies remain regarding clinical outcomes following initial strategies of coronary computed tomography angiography (CCTA) vs usual care with functional testing in patients with suspected coronary artery disease (CAD).HypothesisCCTA as initial diagnostic strategy results in better mid‐ to long‐term outcomes than usual care in patients with suspected CAD.MethodsWe searched PubMed, Embase, and Cochrane Library for randomized controlled trials comparing clinical outcomes during ≥6 months' follow‐up between initial anatomical testing by CCTA vs usual care with functional testing in patients with suspected CAD. Occurrence of all‐cause mortality, nonfatal myocardial infarction (MI), and major adverse cardiovascular events (MACE), and use of invasive coronary angiography and coronary revascularization, were compared between the 2 diagnostic strategies.ResultsTwelve trials were included (20 014 patients; mean follow‐up, 20.5 months). Patients undergoing CCTA as initial noninvasive testing had lower risk of nonfatal MI compared with those treated with usual care (risk ratio [RR]: 0.70, 95% confidence interval [CI]: 0.52‐0.94, P = 0.02). There was a tendency for reduced MACE following initial CCTA strategy, but not for risk of all‐cause mortality. Compared with functional testing, the CCTA strategy increased use of invasive coronary angiography (RR: 1.53, 95% CI: 1.12‐2.09, P = 0.007) and coronary revascularization (RR: 1.49, 95% CI: 1.11‐2.00, P = 0.007).ConclusionsAnatomical testing with CCTA as the initial noninvasive diagnostic modality in patients with suspected CAD resulted in lower risk of nonfatal MI than usual care with functional testing, at the expense of more frequent use of invasive procedures.
Encapsulating Active Pharmaceutical Ingredients in Self‐Assembling Adamantanes with Short DNA Zippers
Authors: Griesser Helmut , Schwenger Alexander , Richert Clemens 
Published: September 2017

AbstractFormulating pharmaceutically active ingredients for drug delivery is a challenge. There is a need for new drug delivery systems that take up therapeutic molecules and release them into biological systems. We propose a novel mode of encapsulation that involves matrices formed through co‐assembly of drugs with adamantane hybrids that feature four CG dimers as sticky ends. Such adamantanes are accessible via inexpensive solution‐phase syntheses, and the resulting materials show attractive properties for controlled release. This is demonstrated for two different hybrids and a series of drugs, including anticancer drugs, antibiotics, and cyclosporin. Up to 20 molar equivalents of active pharmaceutical ingredients (APIs) are encapsulated in hybrid materials. Encapsulation is demonstrated for DNA‐binding and several non‐DNA binding compounds. Nanoparticles were detected that range in size from 114–835 nm average diameter, and ζ potentials were found to be between −29 and +28 mV. Release of doxorubicin into serum at near‐constant rates for 10 days was shown, demonstrating the potential for slow release. The encapsulation and release in self‐assembling matrices of dinucleotide‐bearing adamantanes appears to be broadly applicable and may thus lead to new drug delivery systems for APIs.
Semantic summary automatic generation in news event
Authors: Liu Weidong , Luo Xiangfeng , Zhang Jun , Xue Ruirong , Xu Richard Yi Da 
Published: September 2017

SummaryHow to generate summary with more novel and rich semantics is a challenging issue in the area of multi‐document automatic summary. In this paper, a core semantics extraction model (CSEM) is proposed to improve the novel and rich semantics of multi‐document summary. Firstly, for improving the rich semantics, semantic units, which are a group of association relations of keywords, are used to express texts' semantics. Secondly, for improving the novel semantics, an attenuation function is introduced to adjust the importance of semantic units according to the appearing times that semantic units in the candidate of summary sentences. Thirdly, in order to maximize the novel and rich semantics of summary, the generating process of summary is converted into the optimization process on how to find a set of sentences with a higher importance. Finally, CSEM extracts the least number of sentences to cover the most core semantics in corpus as summary. Experimental results on the benchmark DUC 2004 show that our model outperforms the state‐of‐art approaches (eg, OCCAMS_V, JS‐Gen‐2) under official metric. Especially, the recall of our model in ROUGE‐1 is 40.684%, which is better than other approaches (eg, OCCAMS_V 38.497% and JS‐Gen‐2 36.739%).
Enhanced formation of >C1 Products in Electroreduction of CO2 by Adding a CO2 Adsorption Component to a Gas‐Diffusion Layer‐Type Catalytic Electrode
Authors: Marepally Bhanu Chandra , Ampelli Claudio , Genovese Chiara , Saboo Tapish , Perathoner Siglinda , Wisser Florian M. , Veyre Laurent , Canivet Jérôme , Quadrelli Elsje Alessandra , Centi Gabriele 
Published: September 2017

AbstractThe addition of a CO2‐adsorption component (substituted imidazolate‐based SIM‐1 crystals) to a gas‐diffusion layer‐type catalytic electrode enhances the activity and especially the selectivity towards >C1 carbon chain products (ethanol, acetone, and isopropanol) of a Pt‐based electrocatalyst that is not able to form products of CO2 reduction involving C−C bond formation under conventional (liquid‐phase) conditions. This indicates that the increase of the effective CO2 concentration at the electrode active surface is the factor controlling the formation of >C1 products rather than only the intrinsic properties of the electrocatalyst.
Development of Monitoring System to Understand Preparation Processes of Rainfall‐Induced Landslides Estimation of Slip Surface and In Situ Observation Using Electromagnetic Methods
Authors: YAMAZAKI TOMOHIRO , HATTORI KATSUMI , KANEDA HEITARO , SAKAI HIDEO , IZUMI YOSHINORI , TERAJIMA TOMOMI 
Published: September 2017

SUMMARYIn order to mitigate landslide risks, monitoring of ground water is essential. Previous indoor experiments suggest that the self‐potential approach has an advantage to establish the early warning system in performance to detect related signals and in cost. To evaluate results obtained from the previous indoor experiments, in situ measurements are required. To achieve this, we selected a test slope at Nishiikawa, Tokushima, Japan and we performed preliminary electrical resistivity exploration (ERT) and core‐sampling. The results of ERT show that there are low resistive areas in shallow depth (<3 m). The core‐sampling results also indicate that there exists the structure which corresponds to slip surface. In addition, anisotropy in magnetic susceptibility was examined and the samples around the estimated slip surface region provide the oblate ellipsoid characteristics. These results of ERT and core analyses are consistent and make convince the identification of the slip surface. Based on these preliminary results, we set up the in situ self‐potential observation at the slope and started measurements.