bluuebunny/crossref_metadata_2025 huggingface dataset:
Internal errors: a valid alternative for clustering estimates?
Authors: Arnalte-Mur Pablo , Norberg Peder
Published: July 2015

We investigate the validity of internal methods to estimate the uncertainty of the galaxy two-point correlation function. We consider the jackknife and bootstrap methods, which are based on re-sampling sub-regions of the original data. These are cheap computationally, and do not depend on the accuracy of external simulations. We test the different methods over a large range of scales using a set of 160 mock catalogues from the LasDamas set of simulations. Our results show that the standard bootstrap method significantly overestimates the true uncertainty at all scales. We try two possible generalisations of the bootstrap, but find them not to be robust. Regarding jackknife, we obtain that this method provides an unbiased estimation of the error at small and intermediate scales, up to ∼ 40 h−1, Mpc. At larger scales, it typically overestimates the error by a ∼13%.
Searching for non-Gaussianity in the Planck data
Authors: Rebouças Marcelo J. , Bernui Armando
Published: July 2015

The statistical properties of the temperature anisotropies and polarization of the of cosmic microwave background (CMB) radiation offer a powerful probe of the physics of the early universe. In recent works a statistical procedure based upon the calculation of the kurtosis and skewness of the data in patches of CMB sky-sphere has been proposed and used to investigate the large-angle deviation from Gaussianity in WMAP maps. Here we briefly address the question as to how this analysis of Gaussianity is modified if the foreground-cleaned Planck maps are considered. We show that although the foreground-cleaned Planck maps present significant deviation from Gaussianity of different degrees when a less severe mask is used, they become consistent with Gaussianity, as detected by our indicators, when masked with the union mask U73.
Machine Classification of Transient Images
Authors: Buisson Lise du , Sivanandam Navin , Bassett Bruce A. , Smith Mathew
Published: July 2015

Using transient imaging data from the 2nd and 3rd years of the SDSS supernova survey, we apply various machine learning techniques to the problem of classifying transients (e.g. SNe) from artefacts, one of the first steps in any transient detection pipeline, and one that is often still carried out by human scanners. Using features mostly obtained from PCA, we show that we can match human levels of classification success, and find that a K-nearest neighbours algorithm and SkyNet perform best, while the Naive Bayes, SVM and minimum error classifier have performances varying from slightly to significantly worse.
Statistical challenges in weak lensing cosmology
Authors: Takada Masahiro
Published: July 2015

Cosmological weak lensing is the powerful probe of cosmology. Here we address one of the most fundamental, statistical questions inherent in weak lensing cosmology: whether or not we can recover the initial Gaussian information content of large-scale structure by combining the weak lensing observables, here focused on the weak lensing power spectrum and bispectrum. To address this question we fully take into account correlations between the power spectra of different multipoles and the bispectra of different triangle configurations, measured from a finite area survey. In particular we show that super-survey modes whose length scale is larger than or comparable with the survey size cause significant sample variance in the weak lensing correlations via the mode-coupling with sub-survey modes due to nonlinear gravitational clustering – the so-called super-sample variance. In this paper we discuss the origin of the super-sample variance and then study the information content inherent in the weak lensing correlation functions up to three-point level.
Bayesian model comparison in cosmology
Authors: Mortlock Daniel J.
Published: July 2015

The standard Bayesian model formalism comparison cannot be applied to most cosmological models as they lack well-motivated parameter priors. However, if the data-set being used is separable, then it is possible to use some of the data to obtain the necessary parameter distributions, the rest of the data being retained for model comparison. While such methods are not fully prescriptive, they provide a route to applying Bayesian model comparison in cosmological situations where it could not otherwise be used.
Searching for bias and correlations in a Bayesian way - Example: SN Ia data
Authors: Heneka Caroline , Posada Alexandre , Marra Valerio , Amendola Luca
Published: July 2015

A range of Bayesian tools has become widely used in cosmological data treatment and parameter inference (see Kunz et al.2007, Trotta 2008, Amendola et al.2013). With increasingly big datasets and higher precision, tools that enable us to further enhance the accuracy of our measurements gain importance. Here we present an approach based on internal robustness, introduced in Amendola et al. (2013) and adopted in Heneka et al. (2014), to identify biased subsets of data and hidden correlation in a model independent way.
Interactivity between Candidates and Citizens on a Social Networking Site: Effects on Perceptions and Vote Intentions
Authors: Brewer Paul R. , Habegger Michael , Harrington Ruby , Hoffman Lindsay H. , Jones Philip Edward , Lambe Jennifer L.
Published: July 2015

Voters and political candidates increasingly use social networking sites (SNSs) such as Facebook. This study uses data from an online posttest-only experiment (N= 183) in analyzing how exposure to supportive or challenging user comments on a fictional candidate's Facebook page influenced participants’ perceptions of and willingness to vote for the candidate, as well as whether candidate replies to each type of user comments affected these outcomes. Participants who viewed a page with supportive comments and “likes” reported more favorable perceptions of and greater support for the candidate, relative to participants who viewed a page with challenging comments. Thus, the appearance of interactivity between a candidate and other users on the candidate's Facebook page can shape the responses of those viewing the page. However, exposure to candidate replies to either supportive or challenging comments did not lead to significantly more favorable perceptions or a greater likelihood of voting for the candidate.
Entwicklung und Validierung eines Kurzfragebogens zur Erfassung von allgemeiner und facettenspezifischer Arbeitszufriedenheit
Authors: Haarhaus Benjamin
Published: July 2015

Zusammenfassung. Obwohl eine ökonomische und differenzierte Erfassung von Arbeitszufriedenheit für Forschung und betriebliche Praxis von hoher Relevanz ist, sind deutschsprachige Messinstrumente meist sehr umfangreich oder nicht in der Lage, zwischen Zufriedenheitsfacetten zu differenzieren. Vor diesem Hintergrund besteht das Ziel des Beitrags darin, auf Basis verschiedener Versionen des Job Descriptive Index (JDI) und des Arbeitsbeschreibungsbogens (ABB) einen Kurzfragebogen zur Erfassung von Allgemeiner und Facettenspezifischer Arbeitszufriedenheit (KAFA) zu entwickeln und zu validieren. Anhand von zwei Stichproben (N = 594) wird ein 30 Items umfassender Kurzfragebogen entwickelt, mit dem sich die Gesamtzufriedenheit sowie die Zufriedenheit mit den Tätigkeiten, Kolleginnen und Kollegen, Entwicklungsmöglichkeiten, der Bezahlung und der/dem Vorgesetzten reliabel, valide und ökonomisch messen lassen.
Peroxisomal Translocation of Soluble Epoxide Hydrolase Protects against Ischemic Stroke Injury
Authors: Nelson Jonathan W , Zhang Wenri , Alkayed Nabil J , Koerner Ines P
Published: July 2015

Soluble epoxide hydrolase (sEH) contributes to cardiovascular disease, including stroke, although the exact mechanism remains unclear. While primarily a cytosolic enzyme, sEH can translocate into peroxisomes. The relevance of this for stroke injury is not understood. We tested the hypothesis that sEH-mediated injury is tied to the cytoplasmic localization. We found that a human sEH variant possessing increased affinity to peroxisomes reduced stroke injury in sEH-null mice, whereas infarcts were significantly larger when peroxisomal translocation of sEH was disrupted. We conclude that sEH contributes to stroke injury only when localized in the cytoplasm, while peroxisomal sEH may be protective.
Action plan co-optimization reveals the parallel encoding of competing reach movements
Authors: Gallivan Jason P. , Barton Kathryn S. , Chapman Craig S. , Wolpert Daniel M. , Randall Flanagan J.
Published: July 2015

Several influential cognitive theories propose that in situations affording more than one possible target of action, we prepare multiple competing movements before selecting one. Here we provide direct evidence for this provocative but largely untested idea and demonstrate why preparing multiple movements is computationally advantageous. Using a reaching task in which movements are initiated after one of two potential targets is cued, we show that the movement generated for the cued target borrows components of the movement that would have been required for the other, competing target. This interaction can only arise if multiple potential movements are fully specified in advance and we demonstrate that it reduces the time required to launch a given action plan. Our findings suggest that this co-optimization of motor plans is highly automatic and largely occurs outside conscious awareness.
Cooper pair splitting in parallel quantum dot Josephson junctions
Authors: Deacon R. S. , Oiwa A. , Sailer J. , Baba S. , Kanai Y. , Shibata K. , Hirakawa K. , Tarucha S.
Published: July 2015

Devices to generate on-demand non-local spin entangled electron pairs have potential application as solid-state analogues of the entangled photon sources used in quantum optics. Recently, Andreev entanglers that use two quantum dots as filters to adiabatically split and separate the quasi-particles of Cooper pairs have shown efficient splitting through measurements of the transport charge but the spin entanglement has not been directly confirmed. Here we report measurements on parallel quantum dot Josephson junction devices allowing a Josephson current to flow due to the adiabatic splitting and recombination of the Cooper pair between the dots. The evidence for this non-local transport is confirmed through study of the non-dissipative supercurrent while tuning independently the dots with local electrical gates. As the Josephson current arises only from processes that maintain the coherence, we can confirm that a current flows from the spatially separated entangled pair.
High-frame rate four dimensional optoacoustic tomography enables visualization of cardiovascular dynamics and mouse heart perfusion
Authors: Deán-Ben Xosé Luís , Ford Steven James , Razansky Daniel
Published: July 2015

Functional imaging of mouse models of cardiac health and disease provides a major contribution to our fundamental understanding of the mammalian heart. However, imaging murine hearts presents significant challenges due to their small size and rapid heart rate. Here we demonstrate the feasibility of high-frame-rate, noninvasive optoacoustic imaging of the murine heart. The temporal resolution of 50 three-dimensional frames per second provides functional information at important phases of the cardiac cycle without the use of gating or other motion-reduction methods. Differentiation of the blood oxygenation state in the heart chambers was enabled by exploiting the wavelength dependence of optoacoustic signals. Real-time volumetric tracking of blood perfusion in the cardiac chambers was also evaluated using indocyanine green. Taken together, the newly-discovered capacities offer a unique tool set for in-vivo structural and functional imaging of the whole heart with high spatio-temporal resolution in all three dimensions.
Optimizing fluorescent protein trios for 3-Way FRET imaging of protein interactions in living cells
Authors: Scott Brandon L. , Hoppe Adam D.
Published: July 2015

Powerful new methods have extended FRET microscopy to the imaging of three or more interacting proteins inside living cells. Here, we compared widely available fluorescent proteins to find the best trio for 3-Way FRET imaging. We focused on readily available cyan, yellow and red proteins that have high quantum yields, large extinction coefficients and good photostability, which defined these candidate proteins: CyPet/mTFP1/mTurqoise2, mCitrine/YPet and TagRFP/TagRFPt/mRuby2/mCherry. By taking advantage of the high structural similarity across the fluorescent proteins, we generated structurally similar, but photophysically distinct donor/acceptor and triple fluorophore fusion proteins and measured their FRET efficiencies inside living cells. Surprisingly, their published photophysical parameters and calculated Förster distances did not predict the best combinations of FPs. Using cycloheximide to inhibit protein synthesis, we found that the different FP maturation rates had a strong effect on the FRET efficiency. This effect was pronounced when comparing rapidly maturing yellow and slowly maturing red FPs. We found that red FPs with inferior photophysics gave superior FRET efficiencies because of faster maturation rates. Based on combined metrics for the FRET efficiency, fluorophore photophysics and fluorophore maturation we determined that Turqoise2, YPet and Cherry were the best available FPs for live cell 3-Way FRET measurements.
Trans-spliced Cas9 allows cleavage of HBB and CCR5 genes in human cells using compact expression cassettes
Authors: Fine Eli J. , Appleton Caleb M. , White Douglas E. , Brown Matthew T. , Deshmukh Harshavardhan , Kemp Melissa L. , Bao Gang
Published: July 2015

CRISPR/Cas9 systems have been used in a wide variety of biological studies; however, the large size of CRISPR/Cas9 presents challenges in packaging it within adeno-associated viruses (AAVs) for clinical applications. We identified a two-cassette system expressing pieces of the S. pyogenes Cas9 (SpCas9) protein which splice together in cellula to form a functional protein capable of site-specific DNA cleavage. With specific CRISPR guide strands, we demonstrated the efficacy of this system in cleaving the HBB and CCR5 genes in human HEK-293T cells as a single Cas9 and as a pair of Cas9 nickases. The trans-spliced SpCas9 (tsSpCas9) displayed ~35% of the nuclease activity compared with the wild-type SpCas9 (wtSpCas9) at standard transfection doses, but had substantially decreased activity at lower dosing levels. The greatly reduced open reading frame length of the tsSpCas9 relative to wtSpCas9 potentially allows for more complex and longer genetic elements to be packaged into an AAV vector including tissue-specific promoters, multiplexed guide RNA expression and effector domain fusions to SpCas9. For unknown reasons, the tsSpCas9 system did not work in all cell types tested. The use of protein trans-splicing may help facilitate exciting new avenues of research and therapeutic applications through AAV-based delivery of CRISPR/Cas9 systems.
Hydrodynamic chronoamperometry for probing kinetics of anaerobic microbial metabolism – case study of Faecalibacterium prausnitzii
Authors: Prévoteau Antonin , Geirnaert Annelies , Arends Jan B.A. , Lannebère Sylvain , Van de Wiele Tom , Rabaey Korneel
Published: July 2015

Monitoringin vitrothe metabolic activity of microorganisms aids bioprocesses and enables better understanding of microbial metabolism. Redox mediators can be used for this purpose via different electrochemical techniques that are either complex or only provide non-continuous data. Hydrodynamic chronoamperometry using a rotating disc electrode (RDE) can alleviate these issues but was seldom used and is poorly characterized. The kinetics ofFaecalibacterium prausnitziiA2-165, a beneficial gut microbe, were determined using a RDE with riboflavin as redox probe. This butyrate producer anaerobically ferments glucose and reduces riboflavin whose continuous monitoring on a RDE provided highly accurate kinetic measurements of its metabolism, even at low cell densities. The metabolic reaction rate increased linearly over a broad range of cell concentrations (9 × 104to 5 × 107cells.mL−1). Apparent Michaelis-Menten kinetics was observed with respect to riboflavin (KM = 6 μM; kcat = 5.3×105 s−1, at 37 °C) and glucose (KM = 6 μM; kcat = 2.4 × 105 s−1). The short temporal resolution allows continuous monitoring of fast cellular events such as kinetics inhibition with butyrate. Furthermore, we detected for the first time riboflavin reduction by another potential probiotic,Butyricicoccus pullicaecorum. The ability of the RDE for fast, accurate, simple and continuous measurements makes it anad hoctool for assessing bioprocesses at high resolution.
Liquid on Paper: Rapid Prototyping of Soft Functional Components for Paper Electronics
Authors: Long Han Yu , Liu Hao , Ouyang Cheng , Jian Lu Tian , Xu Feng
Published: July 2015

This paper describes a novel approach to fabricate paper-based electric circuits consisting of a paper matrix embedded with three-dimensional (3D) microchannels and liquid metal. Leveraging the high electric conductivity and good flowability of liquid metal and metallophobic property of paper, it is possible to keep electric and mechanical functionality of the electric circuit even after a thousand cycles of deformation. Embedding liquid metal into paper matrix is a promising method to rapidly fabricate low-cost, disposable and soft electric circuits for electronics. As a demonstration, we designed a programmable displacement transducer and applied it as variable resistors and pressure sensors. The unique metallophobic property, combined with softness, low cost and light weight, makes paper an attractive alternative to other materials in which liquid metal are currently embedded.
Heparin interacts with elongation factor 1α of Cryptosporidium parvum and inhibits invasion
Authors: Inomata Atsuko , Murakoshi Fumi , Ishiwa Akiko , Takano Ryo , Takemae Hitoshi , Sugi Tatsuki , Cagayat Recuenco Frances , Horimoto Taisuke , Kato Kentaro
Published: July 2015

Cryptosporidium parvumis an apicomplexan parasite that can cause serious watery diarrhea, cryptosporidiosis, in human and other mammals.C. parvuminvades gastrointestinal epithelial cells, which have abundant glycosaminoglycans on their cell surface. However, little is known about the interaction betweenC. parvumand glycosaminoglycans. In this study, we assessed the inhibitory effect of sulfated polysaccharides onC. parvuminvasion of host cells and identified the parasite ligands that interact with sulfated polysaccharides. Among five sulfated polysaccharides tested, heparin had the highest, dose-dependent inhibitory effect on parasite invasion. Heparan sulfate-deficient cells were less susceptible toC. parvuminfection. We further identified 31 parasite proteins that potentially interact with heparin. Of these, we confirmed thatC. parvumelongation factor 1α (CpEF1α), which plays a role inC. parvuminvasion, binds to heparin and to the surface of HCT-8 cells. Our results further our understanding of the molecular basis ofC. parvuminfection and will facilitate the development of anti-cryptosporidial agents.
Evaluation of thrombolysis by using ultrasonic imaging: an in vitro study
Authors: Fang Jui , Tsui Po-Hsiang
Published: July 2015

The hematocrit of a thrombus is a key factor associated with the susceptibility to thrombolysis. Ultrasonic imaging is currently the first-line screening tool for thrombus examinations. Different hematocrits result in different acoustical structures of thrombi, which alter the behavior of ultrasonic backscattering. This study explored the relationships among thrombolytic efficiencies, hematocrits and ultrasonic parameters (the echo intensity and backscattered statistics). Porcine thrombi with different hematocrits, ranging from 0% to 50%, were induced in vitro. An ultrasonic scanner was used to scan thrombi and acquire raw image data for B-mode (echo intensity measurements) and Nakagami imaging (backscattered statistics analysis). Experiments on thrombolysis were performed using urokinase to explore the effect of the hematocrit on thrombolytic efficiency. Results showed that the weight loss ratio of thrombi exponentially decreased as the hematocrit increased from 0% to 50%. Compared with the echo intensity obtained from the conventional B-scan, the Nakagami parameter predicts the weight loss ratio, increasing from 0.6 to 1.2 as the weight loss ratio decreased from 0.67 to 0.26. The current findings suggest that using Nakagami imaging characterizing thrombi provides information of backscattered statistics, which may be associated with the thrombolytic efficiency.
Peginterferon plus weight-based ribavirin for treatment-naïve hepatitis C virus genotype 2 patients not achieving rapid virologic response: a randomized trial
Authors: Liu Chen-Hua , Huang Chung-Feng , Liu Chun-Jen , Dai Chia-Yen , Huang Jee-Fu , Lin Jou-Wei , Liang Cheng-Chao , Yang Sheng-Shun , Lin Chih-Lin , Su Tung-Hung , Yang Hung-Chih , Chen Pei-Jer , Chen Ding-Shinn , Chuang Wan-Long , Kao Jia-Horng , Yu Ming-Lung
Published: July 2015

Hepatitis C virus genotype 2 (HCV-2) slow responders poorly respond to 24 weeks of peginterferon (Peg-IFN) plus ribavirin (RBV). We evaluated the efficacy of extended 48-week regimen and the role of interleukin-28B (IL-28B) genotype in this clinical setting. Treatment-naïve HCV-2 patients not achieving rapid virologic response (RVR) by Peg-IFN alfa-2a 180 μg/week plus weight-based RBV (1,000–1,200 mg/day, cutoff body weight of 75 kg) were randomly assigned to receive a total duration of 48 (n = 94) or 24 (n = 93) weeks of therapy. The primary endpoint was sustained virologic response (SVR). Baseline patient characteristics to predict SVR were analyzed. Patients receiving 48 weeks of treatment had a greater SVR rate than those receiving 24 weeks of treatment (70.2% versus 46.2%, P = 0.001). Compared to patients treated for 24 weeks, the SVR rate in those treated for 48 weeks increased by 10.9% [95% CI: −5.9% to 27.7%] and 65.6% [95% CI: 44.5% to 86.7%] if they had IL-28B rs8099917 TT genotype and GT/GG genotype, respectively (interaction P = 0.002). In conclusion, 48-week treatment with Peg-IFN plus weight-based RBV provides a greater SVR rate than 24-week treatment in treatment-naïve HCV-2 patients with unfavorable IL-28B genotypes who fail to achieve RVR.
Hydrogel-derived non-precious electrocatalysts for efficient oxygen reduction
Authors: You Bo , Yin Peiqun , Zhang Junli , He Daping , Chen Gaoli , Kang Fei , Wang Huiqiao , Deng Zhaoxiang , Li Yadong
Published: July 2015

The development of highly active, cheap and robust oxygen reduction reaction (ORR) electrocatalysts to replace precious metal platinum is extremely urgent and challenging for renewable energy devices. Herein we report a novel, green and especially facile hydrogel strategy to construct N and B co-doped nanocarbon embedded with Co-based nanoparticles as an efficient non-precious ORR catalyst. The agarose hydrogel provides a general host matrix to achieve a homogeneous distribution of key precursory components including cobalt (II) acetate and buffer salts, which, upon freeze-drying and carbonization, produces the highly active ORR catalyst. The gel buffer containing Tris base, boric acid and ethylenediaminetetraacetic acid, commonly adopted for pH and ionic strength control, plays distinctively different roles here. These include a green precursor for N- and B-doping, a salt porogen and a Co2+ chelating agent, all contributing to the excellent ORR activity. This hydrogel-based process is potentially generalizable for many other catalytic materials.
Electrically switchable polymer stabilised broadband infrared reflectors and their potential as smart windows for energy saving in buildings
Authors: Khandelwal Hitesh , Loonen Roel C. G. M. , Hensen Jan L. M. , Debije Michael G. , Schenning Albertus P. H. J.
Published: July 2015

Electrically switchable broadband infrared reflectors that are relatively transparent in the visible region have been fabricated using polymer stabilised cholesteric liquid crystals. The IR reflectors can change their reflection/transmission properties by applying a voltage in response to changes in environmental conditions. Simulations predict that a significant amount of energy can be saved on heating, cooling and lighting of buildings in places such as Madrid by using this switchable IR reflector. We have also fabricated a switchable IR reflector which can also generate electricity. These polymer based switchable IR reflectors are of high potential as windows of automobiles and buildings to control interior temperatures and save energy.
Chromosome Scaffold is a Double-Stranded Assembly of Scaffold Proteins
Authors: Poonperm Rawin , Takata Hideaki , Hamano Tohru , Matsuda Atsushi , Uchiyama Susumu , Hiraoka Yasushi , Fukui Kiichi
Published: July 2015

Chromosome higher order structure has been an enigma for over a century. The most important structural finding has been the presence of a chromosome scaffold composed of non-histone proteins; so-called scaffold proteins. However, the organization and function of the scaffold are still controversial. Here, we use three dimensional-structured illumination microscopy (3D-SIM) and focused ion beam/scanning electron microscopy (FIB/SEM) to reveal the axial distributions of scaffold proteins in metaphase chromosomes comprising two strands. We also find that scaffold protein can adaptably recover its original localization after chromosome reversion in the presence of cations. This reversion to the original morphology underscores the role of the scaffold for intrinsic structural integrity of chromosomes. We therefore propose a new structural model of the chromosome scaffold that includes twisted double strands, consistent with the physical properties of chromosomal bending flexibility and rigidity. Our model provides new insights into chromosome higher order structure.
Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase
Authors: Goulas Theodoros , Mizgalska Danuta , Garcia-Ferrer Irene , Kantyka Tomasz , Guevara Tibisay , Szmigielski Borys , Sroka Aneta , Millán Claudia , Usón Isabel , Veillard Florian , Potempa Barbara , Mydel Piotr , Solà Maria , Potempa Jan , Gomis-Rüth F. Xavier
Published: July 2015

Citrullination is a post-translational modification of higher organisms that deiminates arginines in proteins and peptides. It occurs in physiological processes but also pathologies such as multiple sclerosis, fibrosis, Alzheimer’s disease and rheumatoid arthritis (RA). The reaction is catalyzed by peptidylarginine deiminases (PADs), which are found in vertebrates but not in lower organisms. RA has been epidemiologically associated with periodontal disease, whose main infective agent is Porphyromonas gingivalis. Uniquely among microbes, P. gingivalis secretes a PAD, termed PPAD (Porphyromonas peptidylarginine deiminase), which is genetically unrelated to eukaryotic PADs. Here, we studied function of PPAD and its substrate-free, substrate-complex and substrate-mimic-complex structures. It comprises a flat cylindrical catalytic domain with five-fold α/β-propeller architecture and a C-terminal immunoglobulin-like domain. The PPAD active site is a funnel located on one of the cylinder bases. It accommodates arginines from peptide substrates after major rearrangement of a “Michaelis loop” that closes the cleft. The guanidinium and carboxylate groups of substrates are tightly bound, which explains activity of PPAD against arginines at C-termini but not within peptides. Catalysis is based on a cysteine-histidine-asparagine triad, which is shared with human PAD1-PAD4 and other guanidino-group modifying enzymes. We provide a working mechanism hypothesis based on 18 structure-derived point mutants.
Reorganization of corticospinal tract fibers after spinal cord injury in adult macaques
Authors: Nakagawa Hiroshi , Ninomiya Taihei , Yamashita Toshihide , Takada Masahiko
Published: July 2015

Previous studies have shown that sprouting of corticospinal tract (CST) fibers after spinal cord injury (SCI) contributes to recovery of motor functions. However, the neuroanatomical mechanism underlying the functional recovery through sprouting CST fibers remains unclear. Here we investigated the pattern of reorganization of CST fibers below the lesion site after SCI in adult macaques. Unilateral lesions were made at the level between the C7 and the C8 segment. The extent of spontaneous recovery of manual dexterity was assessed with a reaching/grasping task. The impaired dexterous manual movements were gradually recovered after SCI. When anterograde tract tracing with biotinylated dextran amine was performed to identify the intraspinal reinnervation of sprouting CST fibers, it was found that the laminar distribution of CST fibers was changed. The sprouting CST fibers extended preferentially into lamia IX where the spinal motor neuron pool was located, to innervate the motor neurons directly. Instead, few, if any, CST fibers were distributed in the dorsal laminae. The present results indicate that CST fibers below the lesion site after SCI in macaques are reorganized in conjunction with the recovery of dexterous manual movements.
Reply to the comment on “Sensitive marker bands for the detection of spin states of heme in surface-enhanced resonance Raman scattering spectra of metmyoglobin”
Authors: Kitahama Yasutaka , Egashira Masatoshi , Suzuki Toshiaki , Tanabe Ichiro , Ozaki Yukihiro
Published: July 2015

In our SERRS spectra, the peaks at 1510 cm−1, which are assigned not to the non-native 5-coordinated heme in the high spin state, but to the native 6-coordinated heme in the low spin state (6cLS), were observed.
One-pot synthesis of graphene oxide coated with sol–gel for electrochemical determination of tryptophan
Authors: Kim Songjin , Sun Si , Li Yijun , He Xiwen
Published: July 2015

Graphene oxide coated with sol–gel was prepared by a one-pot synthesis from phenyltriethoxysilane and tetramethoxysilane.
Priming cells for their final destination: microenvironment controlled cell culture by a modular ECM-mimicking feeder film
Authors: Barthes Julien , Vrana Nihal E. , Özçelik Hayriye , Gahoual Rabah , François Yannis N. , Bacharouche Jalal , Francius Grégory , Hemmerlé Joseph , Metz-Boutigue Marie-Hélène , Schaaf Pierre , Lavalle Philippe
Published: July 2015

A modular ECM-mimicking coating for cell culture is designed and acts as gel-feeder providing simultaneously ECM components, growth factors, stiffening elements and antimicrobials.
Self-powered smart window controlled by a high open-circuit voltage InGaN/GaN multiple quantum well solar cell
Authors: Wu Chia-Ching , Liou Jian-Chiun , Diao Chien-Chen
Published: July 2015

A self-powered complementary electrochromic device (CECD) driven by a high open-circuit voltage InGaN/GaN multiple quantum well (MQW) solar cell has been designed.
Selective growth of MFU-4l single crystals on microstructured plasma polymer coatings
Authors: Schaller A. , Ullrich A. , Horn S. , Volkmer D.
Published: July 2015

Crystals of the metal–organic framework Ulm-4l(arge) grow site selectively and with 〈1 0 0〉 orientation on microtextured plasma polymer coatings.
A new RuIIRhIII bimetallic with a single Rh–Cl bond as a supramolecular photocatalyst for proton reduction
Authors: Zhou Rongwei , Manbeck Gerald F. , Wimer Dexter G. , Brewer Karen J.
Published: July 2015

Photoinitiated electron collection on the RhIII center bearing only one photo-labile Rh–Cl bond resulted in an active RuRhI species for proton reduction. The results opened a new approach to designing RuIIRhIII photocatalysts.
Click chemistry-mediated catalytic hairpin self-assembly for amplified and sensitive fluorescence detection of Cu2+in human serum
Authors: Li Daxiu , Zhou Wenjiao , Chai Yaqin , Yuan Ruo , Xiang Yun
Published: July 2015

Cu+-mediated click ligation of DNA leads to catalytic self-assembly of hairpins and amplified fluorescent signals for sensitive detection of Cu2+.
A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation
Authors: Deng Mingli , Tai Shijun , Zhang Weiquan , Wang Yongchen , Zhu Jiaxing , Zhang Jinsheng , Ling Yun , Zhou Yaming
Published: July 2015

A flexible MOF, MAC-11, showing photoluminescent response to a phase transformation, has been synthesized and studied.
Spectroscopic and second-order nonlinear optical properties of Ruthenium(ii) complexes: a DFT/MRCI and ADC(2) study
Authors: Escudero Daniel , Thiel Walter , Champagne Benoît
Published: July 2015

We present an assessment of correlated electronic structure methods for the nonlinear optical properties of Ru(ii) dyes.
Binuclear complexes of Ni(i) from 4-terphenyldithiophenol
Authors: Koch Felix , Schubert Hartmut , Sirsch Peter , Berkefeld Andreas
Published: July 2015

The preparation and characterisation of binuclear Ni(i) complexes from a 4-terphenyldithiophenol ligand is described.
Mobility and biodegradability of an imidazolium based ionic liquid in soil and soil amended with waste sewage sludge
Authors: Markiewicz M. , Jungnickel C. , Cho C.-W. , Stolte S.
Published: July 2015

Sorption on solids and biodegradation are main phenomena that can mitigate the pollution of soil and water by ionic liquids (ILs).
Characterization and modeling of multiphase flow in structured microreactors: a post microreactor case study
Authors: Yang Lu , Shi Yanxiang , Abolhasani Milad , Jensen Klavs F.
Published: July 2015

We investigate the hydrodynamics of gas/liquid and liquid/liquid flows in the post microreactor with flow visualization and CFD simulation, and reveal the mechanism of mass transfer enhancement compared to open channels through transport analysis.
Aminobenzocoumarinylmethyl esters as photoactive precursors for the release of butyric acid
Authors: Soares Ana M. S. , Hungerford Graham , Costa Susana P. G. , Gonçalves M. Sameiro T.
Published: July 2015

The photorelease of butyric acid from new aminobenzocoumarin ester cages under UV/visible irradiation.
Preparation of fluorescent graphene quantum dots from humic acid for bioimaging application
Authors: Shi Weijie , Fan Hai , Ai Shiyun , Zhu Lusheng
Published: July 2015

Humic acid as a raw material was applied for the preparation of graphene quantum dots by a one-step hydrothermal method.
Application of CuS-functionalized ZnO nanoflakes for a paper-based photoelectrochemical immunoassay using an in situ electron donor producing strategy
Authors: Sun Guoqiang , Yang Hongmei , Ma Chao , Zhang Yan , Yu Jinghua , He Wenxing , Song Xianrang
Published: July 2015

Copper sulfide functionalized ZnO nanoflakes were used to construct a paper-based photoelectrochemical immunosensor using an in situ electron donor producing strategy.
The AACVD of Cu2FeSn(SxSe1−x)4: potential environmentally benign solar cell materials
Authors: Kevin Punarja , Malik M. Azad , O'Brien Paul
Published: July 2015

Films of Cu2FeSn(SxSe1−x) have been deposited by aerosol assisted chemical vapour deposition using mixtures of molecular precursors.
Hierarchically controlled protonation/aggregation of a porphyrin–spermine derivative
Authors: Gangemi Chiara Maria Antonietta , Randazzo Rosalba , Fragalà Maria Elena , Tomaselli Gaetano Andrea , Ballistreri Francesco Paolo , Pappalardo Andrea , Toscano Rosa Maria , Trusso Sfrazzetto Giuseppe , Purrello Roberto , D'Urso Alessandro
Published: July 2015

A new porphyrin–spermine derivative self-assembles under hierarchical control, allowing the desired aggregation state of the system to be obtained.
Synthesis, structure prediction, pharmacokinetic properties, molecular docking and antitumor activities of some novel thiazinone derivatives
Authors: Anand Selvam Athavan Alias , Loganathan Chandrasekaran , Thomas Nisha Susan , Saravanan Kuppusamy , Alphonsa Antony Therasa , Kabilan Senthamaraikannan
Published: July 2015

Convenient synthesis of [1,3]thiazin-4-ones by the unprecedented cyclization of acetylene diesters with 3-alkyl-2,6-diarylpiperidin-4-one thiosemicarbazone derivatives and their antitumor evaluation.
Pyrido[1,2-a]pyrimidinium ions – a novel bridgehead nitrogen heterocycles: synthesis, characterisation, and elucidation of DNA binding and cell imaging properties
Authors: Manna Susanta Kumar , Mandal Arabinda , Mondal Suresh Kumar , Adak Arup Kr , Jana Akash , Das Somnath , Chattopadhyay Sourav , Roy Somenath , Ghorai Shyamal Kr , Samanta Shubhankar , Hossain Maidul , Baidya Mahiuddin
Published: July 2015

A novel class of bridgehead nitrogen heterocycles, pyrido[1,2-a]pyrimidinium ions, has been readily synthesized by a two-step one-pot reaction in high yields (up to 93%).
Fluorinated anthracene derivatives as deep-blue emitters and host materials for highly efficient organic light-emitting devices
Authors: Li Lu , Jiao Bo , Yu Yue , Ma Lin , Hou Xun , Wu Zhaoxin
Published: July 2015

Novel fluorinated anthracene based deep-blue-emitting molecules, namely 9,10-bis-(n′-fluoro-biphenyl-3-yl)-anthracene (nF-DPAs), have been designed and synthesized by a Suzuki cross-coupling reaction.
A facile approach to prepare strong poly(acrylic acid)/LAPONITE® ionic nanocomposite hydrogels at high clay concentrations
Authors: Du Juan , Zhu Jinlong , Wu Ronglan , Xu Shimei , Tan Yun , Wang Jide
Published: July 2015

Based on the thixotropy of acrylic acid/LAPONITE® dispersion, a series of mechanically strong ionic poly(acrylic acid)/LAPONITE® nanocomposite hydrogel with high clay concentration were successfully prepared without any additional dispersing monomers.
Nicotine-derived ammonium salts as highly efficient catalysts for chemical fixation of carbon dioxide into cyclic carbonates under solvent-free conditions
Authors: Hajipour Abdol R. , Heidari Yasaman , Kozehgary Gholamreza
Published: July 2015

Ammonium salts based on nicotine proved to be highly efficient and recyclable catalysts for the synthesis of cyclic carbonates from epoxides and CO2 without the utilization of any organic solvent and any additives.
Effects of intrinsic defects and extrinsic doping on the electronic and photocatalytic properties of Ta3N5
Authors: Jing Tao , Dai Ying , Ma Xiangchao , Wei Wei , Huang Baibiao
Published: July 2015

The improvement of n-type conductivity is an effective strategy to enhance the photocatalytic activity of Ta3N5.
Fabrication and properties of a supramolecular hybrid hydrogel doped with CdTe quantum dots
Authors: Xie Xi , Ma Dong , Zhang Li-Ming
Published: July 2015

A fluorescent supramolecular hydrogel was fabricated based on the host–guest self-assembly between the amphiphilic block copolymer on the CdTe quantum dot (QD) surface and the cyclic oligosaccharide host molecule, α-cyclodextrin (α-CD).
Importance of fluorescence lifetimes for efficient indoline dyes in dye-sensitized solar cells
Authors: Matsui M. , Aoki R. , Nishiwaki D. , Kubota Y. , Funabiki K. , Jin J. , Yoshida T. , Higashijima S. , Miura H.
Published: July 2015

To make a molecular design of efficient indoline dyes, fluorescence lifetimes should be longer than ca. 0.8 ns in chloroform, in addition to suitable HOMO and LUMO levels and bathochromic UV-vis absorption bands.
Fabrication of porous g-C3N4/Ag/Fe2O3composites with enhanced visible light photocatalysis performance
Authors: Xue Jinjuan , Ma Shuaishuai , Zhou Yuming , Zhang Zewu , Liu Xiangyu
Published: July 2015

Porous graphitic carbon nitride (pg-C3N4) synthetized by pyrolysis of urea was hybridized with Ag-doped Fe2O3to form a visible-light-driven photocatalyst pg-C3N4/Ag/Fe2O3viaa simple chemical adsorption method.
Biological relevance of oxidative debris present in as-prepared graphene oxide
Authors: Pattammattel Ajith , Williams Christina L. , Pande Paritosh , Tsui William G. , Basu Ashis K. , Kumar Challa Vijaya
Published: July 2015

The influence of oxidative debris (OD) present in as-prepared graphene oxide (GO) suspensions on proteins and its toxicity to human embryonic kidney cells (HEK-293T) are reported here.
Novel tough and thermally stable cyanate ester resins with high flame retardancy, low dielectric loss and constant based on a phenolphthalein type polyarylether sulfone
Authors: Zhao Lin , Yuan Li , Liang Guozheng , Gu Aijuan
Published: July 2015

Tough cyanate ester resins with good compatibility, low dielectric loss, high flame retardancy and thermal stability were developed.
Carboxylate-assisted C–H activation of phenylpyridines with copper, palladium and ruthenium: a mass spectrometry and DFT study
Authors: Gray A. , Tsybizova A. , Roithova J.
Published: July 2015

The transition state of metal carboxylate mediated C–H activation is associated with carbon–metal bond formation supported by electron-poor carboxylates.
Correction: A supramolecular strategy for tuning the energy level of naphthalenediimide: promoted formation of radical anions with extraordinary stability
Authors: Song Qiao , Li Fei , Wang Zhiqiang , Zhang Xi
Published: July 2015

Correction for ‘A supramolecular strategy for tuning the energy level of naphthalenediimide: promoted formation of radical anions with extraordinary stability’ by Qiao Song et al., Chem. Sci., 2015, 6, 3342–3346.
Fast magnetically driven electrodeposition of amorphous metal oxide water oxidation catalysts from carbon-coated metallic nanoparticles
Authors: Zhu Jing , Lambert François , Policar Clotilde , Mavré François , Limoges Benoît
Published: July 2015

Amorphous metal-based catalytic films for water oxidation were obtained from anodic polarization of carbon-coated metal nanoparticles.
Electrolytic calcium hexaboride for high capacity anode of aqueous primary batteries
Authors: Yin Huayi , Tang Diyong , Mao Xuhui , Xiao Wei , Wang Dihua
Published: July 2015

Nanostructured CaB6preparedviathe electrolysis of solid CaB2O4in molten chlorides delivers a capacity of 2400 mA h g−1and is a promising anode for aqueous primary batteries.
Photocharged BiVO4 photoanodes for improved solar water splitting
Authors: Trześniewski Bartek J. , Smith Wilson A.
Published: July 2015

Long exposure of BiVO4 photoanodes to light under open circuit conditions (photocharging) results in the record high current densities for undoped and uncatalyzed BiVO4.
Co-immobilization of enzymes with the help of a dendronized polymer and mesoporous silica nanoparticles
Authors: Gustafsson Hanna , Küchler Andreas , Holmberg Krister , Walde Peter
Published: July 2015

Two enzymes were immobilized in close proximity to each other using enzyme-containing mesoporous nanoparticles and a dendronized polymer–enzyme hybrid structure.
Balancing the H- and J-aggregation in DTS(PTTh2)2/PC70BM to yield a high photovoltaic efficiency
Authors: Zhao Qiaoqiao , Liu Jiangang , Wang Haiyang , Li Mingguang , Zhou Ke , Yang Hua , Han Yanchun
Published: July 2015

It was found that the H/J ratio of DTS(PTTh2)2 could be tuned from 0.30 to 1.40 by controlling the main solvent and additives, and the best PCE of 6.51% was achieved when the H/J ratio was 1.01.
Influence of electronic and steric effects of substituted ligands coordinated to Ir(iii) complexes on the solution processed OLED properties
Authors: Mróz Wojciech , Ragni Roberta , Galeotti Francesco , Mesto Ernesto , Botta Chiara , Cola Luisa De , Farinola Gianluca Maria , Giovanella Umberto
Published: July 2015

The electronic and steric effects of benzylsulfonyl and fluorine substituents on performances and emission colour of Ir(iii) complexes in solution processed efficient PHOLEDs were investigated.
The preparation of a high performance near-infrared shielding CsxWO3/SiO2composite resin coating and research on its optical stability under ultraviolet illumination
Authors: Zeng Xianzhe , Zhou Yijie , Ji Shidong , Luo Hongjie , Yao Heliang , Huang Xiao , Jin Ping
Published: July 2015

The photochromism of a CsxWO3resin coating was reduced by combining an ultraviolet absorbing agent (UVA) and a SiO2blocking layer.
Synthesis of single-crystalline GeS nanoribbons for high sensitivity visible-light photodetectors
Authors: Lan Changyong , Li Chun , Yin Yi , Guo Huayang , Wang Shuai
Published: July 2015

Single-crystalline GeS nanoribbons were synthesized by chemical vapor deposition for the first time. The nanoribbon photodetectors respond to the entire visible incident light with a response edge at around 750 nm and a high responsivity, indicating their promising application for high performance broadband visible-light photo-detection.
Phase diagram of the polymeric nitrogen
Authors: Yakub L. N.
Published: July 2015

The results of theoretical prediction of the phase transition lines of molecular nitrogen into the polymeric phase at high pressure are presented. The role of the polymeric phase structure in the location of the transition lines on the phase diagram is considered. Possible configuration of the melting curve of the polymeric nitrogen solid forming the polymeric liquid is discussed. Predicted volumes of the coexisting phases are compared with experimental data and with results of the computer simulations.
Structural and phase transitions in nanocluster ethanol samples at low temperatures
Authors: Efimov V. , Izotov A. , Mezhov-Deglin L. , Nesvizhevskii V. , Rybchenko O. , Zimin A.
Published: July 2015

Results of neutron (SANS study) and x-ray diffraction experiments with nanocluster samples of deuteroethanol (C2D5OD) or ordinary pure ethanol (C2H5OH) are presented. A deuterated ethanol sample, formed via quick cooling of ethanol–helium mixture down to 1.6 K, had clusters with the size of d ∼ 20–30 nm at liquid helium temperatures. After warming up to liquid nitrogen temperatures the gel decays into an amorphous white powder. It was observed that these powder samples remained in the amorphous state even after keeping at T ≤ 90 K for a long time (a few months). The neutron studies were supported by further x-ray investigations of the structure and the phase transitions in the highly dispersed powder samples, which were created via the decay of the gel samples of ordinary ethanol at temperatures above liquid nitrogen up to 150 K at saturated nitrogen gas pressure. Annealing of the “gel” sample during half an hour at a temperature of T ∼ 110 K resulted in a phase transition to a monoclinic phase with the crystallite sizes ∼30–40 nm. For comparison we studied the structure and phase transitions in “bulk” samples, prepared via quick freezing of liquid ethanol down to liquid nitrogen temperature. The “bulk” sample had a similar transition at T ∼ 125 K, which is by 15 K higher than the temperature of the intensive phase transition in the “gel” sample. The mean grain size in the bulk material was d ≥ 60 nm.
Dynamic behaviors and transport properties of ethanol molecules in transmembrane cyclic peptide nanotubes
Authors: Li Rui , Fan Jianfen , Li Hui , Yan Xiliang , Yu Yi
Published: July 2015

Classical molecular dynamics simulations have been performed to investigate the dynamic behaviors and transport properties of ethanol molecules in transmembrane cyclic peptide nanotubes (CPNTs) with various radii, i.e., 8×(WL¯)n=3,4,5/POPE. The results show that ethanol molecules spontaneously fill the octa- and deca-CPNTs, but not the hexa-CPNT. In the octa-CPNT, ethanol molecules are trapped at individual gaps with their carbon skeletons perpendicular to the tube axis and hydroxyl groups towards the tube wall, forming a broken single-file chain. As the channel radius increases, ethanol molecules inside the deca-CPNT tend to form a tubular layer and the hydroxyl groups mainly stretch towards the tube axis. Computations of diffusion coefficients indicate that ethanol molecules in the octa-CPNT nearly lost their diffusion abilities, while those in the deca-CPNT diffuse as 4.5 times as in a (8, 8) carbon nanotube with a similar tube diameter. The osmotic and diffusion permeabilities (pf and pd, respectively) of the octa- and deca-CPNTs transporting ethanol were deduced for the first time. The distributions of the gauche and trans conformers of ethanol molecules in two CPNTs are quite similar, both with approximately 57% gauche conformers. The non-bonded interactions of channel ethanol with a CPNT wall and surrounding ethanol were explored. The potential of mean force elucidates the mechanism underlying the transporting characteristics of channel ethanol in a transmembrane CPNT.