bluuebunny/crossref_metadata_2025 huggingface dataset:
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
Authors: Kirklin Scott , Saal James E , Meredig Bryce , Thompson Alex , Doak Jeff W , Aykol Muratahan , Rühl Stephan , Wolverton Chris
Published: December 2015

The Open Quantum Materials Database (OQMD) is a high-throughput database currently consisting of nearly 300,000 density functional theory (DFT) total energy calculations of compounds from the Inorganic Crystal Structure Database (ICSD) and decorations of commonly occurring crystal structures. To maximise the impact of these data, the entire database is being made available, without restrictions, at www.oqmd.org/download. In this paper, we outline the structure and contents of the database, and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds. This represents the largest comparison between DFT and experimental formation energies to date. The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom. In order to estimate how much error to attribute to the DFT calculations, we also examine deviation between different experimental measurements themselves where multiple sources are available, and find a surprisingly large mean absolute error of 0.082 eV/atom. Hence, we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties. Finally, we evaluate the stability of compounds in the OQMD (including compounds obtained from the ICSD as well as hypothetical structures), which allows us to predict the existence of ~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery, based on historical data available within the ICSD.
Transcriptome analysis of the key role of GAT2 gene in the hyper-accumulation of copper in the oyster Crassostrea angulata
Authors: Shi Bo , Huang Zekun , Xiang Xu , Huang Miaoqin , Wang Wen-Xiong , Ke Caihuan
Published: December 2015

One paradigm of oysters as the hyper-accumulators of many toxic metals is the inter-individual variation of metals, but the molecular mechanisms remain very elusive. A comprehensive analysis of the transcriptome ofCrassostrea angulatawas conducted to reveal the relationship between gene expression and differential Cu body burden in oysters. Gene ontology analysis for the differentially expressed genes showed that the neurotransmitter transporter might affect the oyster behavior, which in turn led to difference in Cu accumulation. The ATP-binding cassette transporters superfamily played an important role in the maintenance of cell Cu homeostasis, vitellogenin and apolipophorin transport and elimination of excess Cu. Gill and mantle Cu concentrations were significantly reduced after silencing theGABA transporter 2 (GAT2)gene, but increased after the injection of GABA receptor antagonists, suggesting that the function ofGABA transporter 2gene was strongly related to Cu accumulation. These findings demonstrated that GABA transporter can control the action of transmitter GABA in the nervous system, thereby affecting the Cu accumulation in the gills and mantles.
Single Cell Dynamics Causes Pareto-Like Effect in Stimulated T Cell Populations
Authors: Cosette Jérémie , Moussy Alice , Onodi Fanny , Auffret-Cariou Adrien , Neildez-Nguyen Thi My Anh , Paldi Andras , Stockholm Daniel
Published: December 2015

Cell fate choice during the process of differentiation may obey to deterministic or stochastic rules. In order to discriminate between these two strategies we used time-lapse microscopy of individual murine CD4 + T cells that allows investigating the dynamics of proliferation and fate commitment. We observed highly heterogeneous division and death rates between individual clones resulting in a Pareto-like dominance of a few clones at the end of the experiment. Commitment to the Treg fate was monitored using the expression of a GFP reporter gene under the control of the endogenous Foxp3 promoter. All possible combinations of proliferation and differentiation were observed and resulted in exclusively GFP–, GFP+ or mixed phenotype clones of very different population sizes. We simulated the process of proliferation and differentiation using a simple mathematical model of stochastic decision-making based on the experimentally observed parameters. The simulations show that a stochastic scenario is fully compatible with the observed Pareto-like imbalance in the final population.
P accumulation and physiological responses to different high P regimes in Polygonum hydropiper for understanding a P-phytoremediation strategy
Authors: Ye Daihua , Li Tingxuan , Liu Dan , Zhang Xizhou , Zheng Zicheng
Published: December 2015

Phosphorus (P) accumulators used for phytoremediation vary in their potential to acquire P from different high P regimes. Growth and P accumulation in Polygonum hydropiper were both dependent on an increasing level of IHP (1–8 mM P) and on a prolonged growth period (3-9 weeks) and those of the mining ecotype (ME) were higher than the non-mining ecotype (NME). Biomass increments in root, stem and leaf of both ecotypes were significantly greater in IHP relative to other organic P (Po) sources (G1P, AMP, ATP), but lower than those in inorganic P (Pi) treatment (KH2PO4). P accumulation in the ME exceeded the NME from different P regimes. The ME demonstrated higher root activity compared to the NME grown in various P sources. Acid phosphatase (Apase) and phytase activities in root extracts of both ecotypes grown in IHP were comparable to that in Pi, or even higher in IHP. Higher secreted Apase and phytase activities were detected in the ME treated with different P sources relative to the NME. Therefore, the ME demonstrates higher P-uptake efficiency and it is a potential material for phytoextraction from P contaminated areas, irrespective of Pi or Po contamination.
Remote Manipulation of Droplets on a Flexible Magnetically Responsive Film
Authors: Kim Jeong Hun , Kang Seong Min , Lee Byung Jun , Ko Hangil , Bae Won-Gyu , Suh Kahp Yang , Kwak Moon Kyu , Jeong Hoon Eui
Published: December 2015

The manipulation of droplets is used in a wide range of applications, from lab-on-a-chip devices to bioinspired functional surfaces. Although a variety of droplet manipulation techniques have been proposed, active, fast and reversible manipulation of pure discrete droplets remains elusive due to the technical limitations of previous techniques. Here, we describe a novel technique that enables active, fast, precise and reversible control over the position and motion of a pure discrete droplet with only a permanent magnet by utilizing a magnetically responsive flexible film possessing actuating hierarchical pillars on the surface. This magnetically responsive surface shows reliable actuating capabilities with immediate field responses and maximum tilting angles of ~90°. Furthermore, the magnetic responsive film exhibits superhydrophobicity regardless of tilting angles of the actuating pillars. Using this magnetically responsive film, we demonstrate active and reversible manipulation of droplets with a remote magnetic force.
Identification of Genes Associated with Smad3-dependent Renal Injury by RNA-seq-based Transcriptome Analysis
Authors: Zhou Qin , Xiong Yuanyan , Huang Xiao R. , Tang Patrick , Yu Xueqing , Lan Hui Y.
Published: December 2015

Transforming growth factor-β/Smad3 signaling plays a critical role in the process of chronic kidney disease (CKD), but targeting Smad3 systematically may cause autoimmune disease by impairing immunity. In this study, we used whole-transcriptome RNA-sequencing to identify the differential gene expression profile, gene ontology, pathways and alternative splicing related to TGF-β/Smad3 in CKD. To explore common dysregulation of genes associated with Smad3-depednent renal injury, kidney tissues of Smad3 wild-type and knockout mice with immune (anti-glomerular basement membrane glomerulonephritis) and non-immune (obstructive nephropathy)-mediated CKD were used for RNA-sequencing analysis. Totally 1922 differentially expressed genes (DEGs) were commonly found in these CKD models. The up-regulated genes are inflammatory and immune response associated, while decreased genes are material or electron transportation and metabolism related. Only 9 common DEGs were found to be Smad3-dependent in two models, including 6 immunoglobulin genes (Ighg1, Ighg2c, Igkv12-41, Ighv14-3, Ighv5-6 and Ighg2b) and 3 metabolic genes (Ugt2b37, Slc22a19 and Mfsd2a). Our results identify transcriptomes associated with renal injury may represent a common mechanism for the pathogenesis of CKD and reveal novel Smad3 associated transcriptomes in the development of CKD.
Stochastic Micro-Pattern for Automated Correlative Fluorescence - Scanning Electron Microscopy
Authors: Begemann Isabell , Viplav Abhiyan , Rasch Christiane , Galic Milos
Published: December 2015

Studies of cellular surface features gain from correlative approaches, where live cell information acquired by fluorescence light microscopy is complemented by ultrastructural information from scanning electron micrographs. Current approaches to spatially align fluorescence images with scanning electron micrographs are technically challenging and often cost or time-intensive. Relying exclusively on open-source software and equipment available in a standard lab, we have developed a method for rapid, software-assisted alignment of fluorescence images with the corresponding scanning electron micrographs via a stochastic gold micro-pattern. Here, we provide detailed instructions for micro-pattern production and image processing, troubleshooting for critical intermediate steps and examples of membrane ultra-structures aligned with the fluorescence signal of proteins enriched at such sites. Together, the presented method for correlative fluorescence – scanning electron microscopy is versatile, robust and easily integrated into existing workflows, permitting image alignment with accuracy comparable to existing approaches with negligible investment of time or capital.
Magnetic ordering induced giant optical property change in tetragonal BiFeO3
Authors: Tong Wen-Yi , Ding Hang-Chen , Gong Shi Jing , Wan Xiangang , Duan Chun-Gang
Published: December 2015

Magnetic ordering could have significant influence on band structures, spin-dependent transport and other important properties of materials. Its measurement, especially for the case of antiferromagnetic (AFM) ordering, however, is generally difficult to be achieved. Here we demonstrate the feasibility of magnetic ordering detection using a noncontact and nondestructive optical method. Taking the tetragonal BiFeO3 (BFO) as an example and combining density functional theory calculations with tight-binding models, we find that when BFO changes from C1-type to G-type AFM phase, the top of valance band shifts from the Z point to Γ point, which makes the original direct band gap become indirect. This can be explained by Slater-Koster parameters using the Harrison approach. The impact of magnetic ordering on band dispersion dramatically changes the optical properties. For the linear ones, the energy shift of the optical band gap could be as large as 0.4 eV. As for the nonlinear ones, the change is even larger. The second-harmonic generation coefficient d33 of G-AFM becomes more than 13 times smaller than that of C1-AFM case. Finally, we propose a practical way to distinguish the two AFM phases of BFO using the optical method, which is of great importance in next-generation information storage technologies.
The Cerato-Platanin protein Epl-1 from Trichoderma harzianum is involved in mycoparasitism, plant resistance induction and self cell wall protection
Authors: Gomes Eriston Vieira , Costa Mariana do Nascimento , de Paula Renato Graciano , Ricci de Azevedo Rafael , da Silva Francilene Lopes , Noronha Eliane F. , José Ulhoa Cirano , Neves Monteiro Valdirene , Elena Cardoza Rosa , Gutiérrez Santiago , Nascimento Silva Roberto
Published: December 2015

Trichoderma harzianum species are well known as biocontrol agents against important fungal phytopathogens. Mycoparasitism is one of the strategies used by this fungus in the biocontrol process. In this work, we analyzed the effect of Epl-1 protein, previously described as plant resistance elicitor, in expression modulation of T. harzianum genes involved in mycoparasitism process against phytopathogenic fungi; self cell wall protection and recognition; host hyphae coiling and triggering expression of defense-related genes in beans plants. The results indicated that the absence of Epl-1 protein affects the expression of all mycoparasitism genes analyzed in direct confrontation assays against phytopathogen Sclerotinia sclerotiorum as well as T. harzianum itself; the host mycoparasitic coiling process and expression modulation of plant defense genes showing different pattern compared with wild type strain. These data indicated the involvement T. harzianum Epl-1 in self and host interaction and also recognition of T. harzianum as a symbiotic fungus by the bean plants.
Nanoporous CuS with excellent photocatalytic property
Authors: Xu Wence , Zhu Shengli , Liang Yanqin , Li Zhaoyang , Cui Zhenduo , Yang Xianjin , Inoue Akihisa
Published: December 2015

We present the rational synthesis of nanoporous CuS for the first time by chemical dealloying method. The morphologies of the CuS catalysts are controlled by the composition of the original amorphous alloys. Nanoporous Cu2S is firstly formed during the chemical dealloying process and then the Cu2S transforms into CuS. The nanoporous CuS exhibits excellent photocatalytic activity for the degradation of the methylene blue (MB), methyl orange (MO) and rhodamine B (RhB). The excellent photocatalytic activity of the nanoporous CuS is mainly attributed to the large specific surface area, high adsorbing capacity of dyes and low recombination of the photo generated electrons and holes. In the photo degradation process, both chemical and photo generated hydroxyl radicals are generated. The hydroxyl radicals are favor in the oxidation of the dye molecules. The present modified dealloying method may be extended for the preparation of other porous metal sulfide nanostructures.
Organic–inorganic hybrid lead halide perovskites for optoelectronic and electronic applications
Authors: Zhao Yixin , Zhu Kai
Published: December 2015

This article reviews recent progress on hybrid perovskites including crystal/thin-film synthesis, structural/chemical/electro-optical properties, (opto)electronic applications, and research issues/challenges.
Application of a sensitive liquid chromatography-mass spectrometry method to a pharmacokinetic study of nerolidol in rat plasma
Authors: He Yi-Sheng , Sun Wei , Zhang Bi-Ying , Xu Ling-Hui , Yang Jie , Gao Wen , Qi Lian-Wen , Li Ping , Wen Xiao-Dong
Published: December 2015

Nerolidol is a dominant volatile compound isolated from Oplopanax horridus.
Chirality induction using circularly polarized light into a branched oligofluorene derivative in the presence of an achiral aid molecule
Authors: Wang Yue , Kanibolotsky Alexander L. , Skabara Peter J. , Nakano Tamaki
Published: December 2015

Chirality induction into a uniform, star-shaped fluorene oligomer with a central truxene moiety (T3) was achieved using circularly polarized light in the presence of achiral fluorene or phenanthrene.
Carbon dots with aggregation induced emission enhancement for visual permittivity detection
Authors: Liu Ze Xi , Wu Zhu Lian , Gao Ming Xuan , Liu Hui , Huang Cheng Zhi
Published: December 2015

A simple and rapid bottom-up synthesis route to synthesize TA–CDs by using tannic acid (TA) as the carbon source was developed, which show visual permittivity dependent aggregation induced emission enhancement (AIEE) properties owing to the hampered rotations of the surface groups on CDs and reduced non-radiative decay during CD aggregation.
Superhydrophobic magnetic poly(DOPAm-co-PFOEA)/Fe3O4/cellulose microspheres for stable liquid marbles
Authors: Lin Xinxing , Ma Wei , Wu Hui , Cao Shilin , Huang Liulian , Chen Lihui , Takahara Atsushi
Published: December 2015

Cellulose-based micro/nano hierarchical spheres with magnetism and superhydrophobicity were fabricated and further used to transport and manipulate liquid droplets through the formation of stable liquid marbles.
Construction of a polyhedron decorated MOF with a unique network through the combination of two classic secondary building units
Authors: Ren Guo-Jian , Chang Ze , Xu Jian , Hu Zhenpeng , Liu Yan-Qing , Xu Yue-Ling , Bu Xian-He
Published: December 2015

A decorated metal–organic polyhedron based metal–organic framework with a unique 4,9-connected net is constructed, showing relatively strong interaction toward H2and CO2probably due to the presence of open metal sites in secondary building units.
Supramolecular surface adhesion mediated by azobenzene polymer brushes
Authors: Roling Oliver , Stricker Lucas , Voskuhl Jens , Lamping Sebastian , Ravoo Bart Jan
Published: December 2015

Surface immobilised polymer brushes containing azobenzenes were prepared using microcontact chemistry and surface-initiated atom transfer radical polymerisation. Two surfaces bearing brushes can be glued together in the presence of a β-cyclodextrin polymer.
Towards physical interpretation of substituent effects: the case of meta- and para-substituted anilines
Authors: Szatylowicz Halina , Siodla Tomasz , Stasyuk Olga A. , Krygowski Tadeusz M.
Published: December 2015

Quantum chemical modeling was used to investigate the electron-donating properties of the amino group in a series ofmeta- andpara-X-substituted anilines (X = NMe2, NH2, OH, OMe, CH3, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, and NO).
Analysis of the solution conformations of T4 lysozyme by paramagnetic NMR spectroscopy
Authors: Chen Jia-Liang , Yang Yin , Zhang Lin-Lin , Liang Haobo , Huber Thomas , Su Xun-Cheng , Otting Gottfried
Published: December 2015

Paramagnetic data show that the average structure of T4-lysozyme in solution is more open than its crystal structure.
Towards high-efficiency nanoelectrocatalysts for oxygen reduction through engineering advanced carbon nanomaterials
Authors: Zhou Ming , Wang Hsing-Lin , Guo Shaojun
Published: December 2015

We summarize and discuss recent developments of different-dimensional advanced carbon nanomaterial-based noble-metal-free high-efficiency oxygen reduction electrocatalysts, including heteroatom-doped, transition metal-based nanoparticle-based, and especially iron carbide (Fe3C)-based carbon nanomaterial composites.
Aluminum borate nanowires from the pyrolysis of polyaminoborane precursors
Authors: Du Van An , Jurca Titel , Whittell George R. , Manners Ian
Published: December 2015

Polyaminoboranes [N(R)H-BH2]n (1: R = H, 2: R = Me) were pyrolyzed on a range of substrates: silicon, metal foils (stainless steel, nickel, and rhodium), and sapphire wafers, as well as on Al2O3 and AlN powders.
Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite
Authors: Pham Tung Cao Thanh , Docao Son , Hwang In Chul , Song Mee Kyung , Choi Do Young , Moon Dohyun , Oleynikov Peter , Yoon Kyung Byung
Published: December 2015

During the reprocessing of spent nuclear fuel rods, a highly moist off-gas mixture containing various volatile radioactive species, such as iodine (I2), organic iodides and nitric acid, is produced.
Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO4
Authors: Guevarra D. , Shinde A. , Suram S. K. , Sharp I. D. , Toma F. M. , Haber J. A. , Gregoire J. M.
Published: December 2015

Optimal material interfaces evade prediction and are discovered through combinatorial catalyst/semiconductor integration – unexpected interactions hold great promise for solar fuels.
Key contributors to variations in fish mercury within and among freshwater reservoirs in Oklahoma, USA
Authors: Dong Zhao , Lynch Robert A. , Schaider Laurel A.
Published: December 2015

Fish from farm ponds may contain higher concentrations of mercury than those from large reservoirs, and pH, water color, rainfall and nutrients best predict fish mercury concentrations among 61 reservoirs in Oklahoma.
Design and stabilisation of a high area iron molybdate surface for the selective oxidation of methanol to formaldehyde
Authors: Chapman Stephanie , Brookes Catherine , Bowker Michael , Gibson Emma K. , Wells Peter P.
Published: December 2015

The performance of Mo-enriched, bulk ferric molybdate, employed commercially for the industrially important reaction of the selective oxidation of methanol to formaldehyde, is limited by a low surface area, typically 5–8 m2g−1. Recent advances in the understanding of the iron molybdate catalyst have focused on the study of MoOx@Fe2O3(MoOxshell, Fe2O3core) systems, where only a few overlayers of Mo are present on the surface. This method of preparing MoOx@Fe2O3catalysts was shown to support an iron molybdate surface of higher surface area than the industrially-favoured bulk phase. In this research, a MoOx@Fe2O3catalyst of even higher surface area was stabilised by modifying a haematite support containing 5 wt% Al dopant. The addition of Al was an important factor for stabilising the haematite surface area and resulted in an iron molybdate surface area of ∼35 m2g−1, around a 5 fold increase on the bulk catalyst. XPS confirmed Mo surface-enrichment, whilst Mo XANES resolved an amorphous MoOxsurface monolayer supported on a sublayer of Fe2(MoO4)3that became increasingly extensive with initial Mo surface loading. The high surface area MoOx@Fe2O3catalyst proved amenable to bulk characterisation techniques; contributions from Fe2(MoO4)3were detectable by Raman, XAFS, ATR-IR and XRD spectroscopies. The temperature-programmed pulsed flow reaction of methanol showed that this novel, high surface area catalyst (3ML-HSA) outperformed the undoped analogue (3ML-ISA), and a peak yield of 94% formaldehyde was obtained at ∼40 °C below that for the bulk Fe2(MoO4)3phase. This work demonstrates how core–shell, multi-component oxides offer new routes for improving catalytic performance and understanding catalytic activity.
Twenty years of ambient observations of nitrogen oxides and specified hydrocarbons in air masses dominated by traffic emissions in Germany
Authors: Ehlers Christian , Klemp Dieter , Rohrer Franz , Mihelcic Djuro , Wegener Robert , Kiendler-Scharr Astrid , Wahner Andreas
Published: December 2015

The analysis of the individual composition of hydrocarbon (VOC) mixtures enables us to transform observed VOC-concentrations into their respective total VOC-reactivity versus OH radicals (RVOC = Σ(kOH+VOCi × [VOCi])). This is particularly useful because local ozone production essentially depends on this single parameter rather than on the details of the underlying hydrocarbon mixture (Klemp et al., Schriften des Forschungszentrums Jülich, Energy & Environment, 2012, 21). The VOC composition also enables us to pin down the major emission source of hydrocarbons in urban areas to be petrol cars with temporarily reduced catalyst efficiency (the so-called cold-start situation) whereas the source of nitrogen oxides (NOx = NO + NO2) is expected to be nowadays dominated by diesel cars. The observations in the vicinity of main roads in German cities show a decrease in the ratio of OH reactivities of VOC and NO2 (RVOC/RNO2) by a factor of 7.5 over the time period 1994–2014. This is larger than the expected decrease of a factor of 2.9 taking estimated trends of VOC and NOx traffic emissions in Germany (Umweltbundesamt Deutschland, National Trend Tables for the German Atmospheric Emission Reporting, 2015), during this time period. The observed reduction in the RVOC/RNO2 ratio leads to a drastic decrease in local ozone production driven by the reduction in hydrocarbons. The analysis reveals that the overall reduction of ozone production benefits from the low decrease of NOx emissions from road traffic which is a consequence of the eventual absence of catalytic converters for nitrogen oxide removal in diesel cars up to now.
The development of a new generation of methyl chloride synthesis catalyst
Authors: McInroy Alastair R. , Winfield John M. , Dudman Chris C. , Jones Peter , Lennon David
Published: December 2015

In previous work by the authors, aspects of the surface chemistry connected with methyl chloride synthesis over an η-alumina catalyst have been examined. This communication considers a role for Group 1 metal salts to modify the catalytic performance of the well characterised η-alumina catalyst. Firstly, based on a previously postulated mechanism for the reaction of methanol on η-alumina, a mechanism for methyl chloride synthesis over the η-alumina catalyst is proposed. Secondly, the validity of the new mechanism is tested by observing how the (i) type and (ii) loading of the Group 1 metal salt may perturb methyl chloride selectivity. The outcomes of these measurements are rationalised with reference to the postulated mechanism. Overall, this study represents an example of how a proposed reaction mechanism has been used to inform and guide a catalyst development strategy for a large-scale industrial process.
Addressing biological uncertainties in engineering gene circuits
Authors: Zhang Carolyn , Tsoi Ryan , You Lingchong
Published: December 2015

We discuss biological uncertainties that complicate predictable engineering of gene circuits and potential strategies to address these uncertainties.
Synthesis, electrochemical and photophysical studies of the borondifluoride complex of a meta-linked biscurcuminoid
Authors: Rivoal Morgane , Zaborova Elena , Canard Gabriel , D'Aléo Anthony , Fages Frédéric
Published: December 2015

One- and two-photon absorption by the borondifluoride complex of a meta-linked biscurcuminoid provides NIR fluorescence emission with high brightnesses in the solid state.
Cracking-assisted fabrication of nanoscale patterns for micro/nanotechnological applications
Authors: Kim Minseok , Kim Dong-Joo , Ha Dogyeong , Kim Taesung
Published: December 2015

Cracking that generates new surfaces is adopted as a simple method to fabricate nanopatterns for micro/nanotechnological applications.
Heteroaggregation assisted wet synthesis of core–shell silver–silica–cadmium selenide nanowires
Authors: Pita Isabel A. , Singh Shalini , Silien Christophe , Ryan Kevin M. , Liu Ning
Published: December 2015

Nanowire–nanoparticle core–shell heteroaggregation in non-polar environment driven by the interplay of van der Waals attraction and steric repulsion.
Host–guest interaction induced supramolecular amphiphilic star architecture and uniform nanovesicle formation for anticancer drug delivery
Authors: Zhu Jing-ling , Liu Kerh Li , Wen Yuting , Song Xia , Li Jun
Published: December 2015

Star-shaped poly[(R,S)-3-hydroxybutyrate] with an α-cyclodextrin core and adamantyl end-terminals self-assembles into nanovesicle through host–guest interaction with heptakis(2,6-di-O-methyl)-β-cyclodextrin. The nanovesicle is efficient for intracellular drug delivery.
Moving beyond flexible to stretchable conductive electrodes using metal nanowires and graphenes
Authors: Lee Hanleem , Kim Ikjoon , Kim Meeree , Lee Hyoyoung
Published: December 2015

Stretchable and/or flexible electrodes and their associated electronic devices have attracted great interest because of their possible applications in high-end technologies such as lightweight, large area, wearable, and biointegrated devices.
Nanopatterned polymer brushes: conformation, fabrication and applications
Authors: Yu Qian , Ista Linnea K. , Gu Renpeng , Zauscher Stefan , López Gabriel P.
Published: December 2015

Nanopatterned polymer brushes provide versatile platforms for investigation of nanoscale phenomena at biointerfaces and for a wide range of applications in biotechnology and electronics.
Medium-sized Au40(SR)24 and Au52(SR)32 nanoclusters with distinct gold-kernel structures and spectroscopic features
Authors: Xu Wen Wu , Li Yadong , Gao Yi , Zeng Xiao Cheng
Published: December 2015

We have analyzed the structures of two medium-sized thiolate-protected gold nanoparticles (RS-AuNPs) Au40(SR)24 and Au52(SR)32 and identified the distinct structural features in their Au kernels [Sci. Adv., 2015, 1, e1500425].
Nanocrystalline iron oxide based electroactive materials in lithium ion batteries: the critical role of crystallite size, morphology, and electrode heterostructure on battery relevant electrochemistry
Authors: Bruck Andrea M. , Cama Christina A. , Gannett Cara N. , Marschilok Amy C. , Takeuchi Esther S. , Takeuchi Kenneth J.
Published: December 2015

The whole versus the sum of its parts; contributions of nanoscale iron-containing materials to the bulk electrochemistry of composite electrodes.
Layer-by-layer self-assembled thin films of chitin fibers and heparin with anti-thrombus characteristics
Authors: Taniguchi Taihei , Kyung Kyu-Hong , Shiratori Seimei
Published: December 2015

Layer-by-layer assembled films of chitin nanofibers and heparin with anti-thrombus characteristics.
Processing and characterization of large diameter ceramic SiCN monofilaments from commercial oligosilazanes
Authors: Flores O. , Bordia R. K. , Bernard S. , Uhlemann T. , Krenkel W. , Motz G.
Published: December 2015

Large diameter ceramic SiCN fibers were processedviathe precursor route using tailored polysilazanes synthesized from liquid commercially available oligosilazanes. Their strength as well as creep and oxidation behavior were investigated.
Molybdenum-doped few-layered SnS2 architectures with enhanced electrochemical supercapacitive performance
Authors: Ma Lin , Xu Limei , Zhou Xiaoping , Xu Xuyao , Zhang Lingling
Published: December 2015

Molybdenum doped few-layered SnS2 (m-SnS2) architectures have been fabricated via a facile hydrothermal route.
A smart poly(aniline-formaldehyde) microcapsule based self-healing anticorrosive coating
Authors: Yamuna J. , Siva T. , Kumari S. S. Sreeja , Sathiyanarayanan S.
Published: December 2015

Schematic representation of the synthesis procedure to obtain poly(aniline-formaldehyde) microcapsules and the mechanism of self healing on mild steel substrate.
Design, synthesis and conformational analyses of bifacial benzamide based foldamers
Authors: Rodriguez-Marin Silvia , Murphy Natasha S. , Shepherd Helena J. , Wilson Andrew J.
Published: December 2015

Two bifacial oligobenzamide based scaffolds that mimic the side chains at i, i + 3 and i + 4 positions of an alpha helix are presented.
An electrochemical facile fabrication of platinum nanoparticle decorated reduced graphene oxide; application for enhanced electrochemical sensing of H2O2
Authors: Palanisamy Selvakumar , Lee Hsin Fang , Chen Shen-Ming , Thirumalraj Balamurugan
Published: December 2015

In the present work, we report a single step electrochemical fabrication of a platinum nanoparticle decorated reduced graphene oxide (RGO–PtNPs) composite for enhanced electrochemical sensing of hydrogen peroxide (H2O2).
A tungsten carbide/iron sulfide/FePt nanocomposite supported on nitrogen-doped carbon as an efficient electrocatalyst for oxygen reduction reaction
Authors: Li Zesheng , Li Bolin , Liu Zhisen , Liu Zhenghui , Li Dehao
Published: December 2015

Novel multi-component WC/FeS/FePt/NC electrocatalysts with excellent mass activity and superior durability are developed for the oxygen reduction reaction in fuel cells.
Aerobic oxidation at benzylic positions catalyzed by a simple Pd(OAc)2/bis-triazole system
Authors: Urgoitia Garazi , Maiztegi Ainhoa , SanMartin Raul , Herrero María Teresa , Domínguez Esther
Published: December 2015

An extremely active palladium catalyst system for the aerobic oxidation of benzyl alcohols and benzylic C–H oxidation is described.
Core–shell structured Fe3O4@SiO2@CdS nanoparticles with enhanced visible-light photocatalytic activities
Authors: Shi Wen , Lu Deli , Wang Lingzhi , Teng Fei , Zhang Jinlong
Published: December 2015

Uniform core–shell structured Fe3O4@SiO2@CdS is synthesized by a facile chelating-assistant growth route, which enhances the photocatalytic activities.
A metal–organic framework MIL-101 doped with metal nanoparticles (Ni & Cu) and its effect on CO2adsorption properties
Authors: Montazerolghaem Maryam , Aghamiri Seyed Foad , Tangestaninejad Shahram , Talaie Mohammad Reza
Published: December 2015

In this work, Cu- and Ni-doped MIL-101 were synthesizedviaa microwave irradiation technique and used as adsorbents for CO2adsorption. The loading of MNPs in MIL-101 showed a beneficial effect on the adsorption capacity and cyclability.
Heterogenization of homogenous oxidative desulfurization reaction on graphene-like boron nitride with a peroxomolybdate ionic liquid
Authors: Dai Bilian , Wu Peiwen , Zhu Wenshuai , Chao Yanhong , Sun Jia , Xiong Jun , Jiang Wei , Li Huaming
Published: December 2015

Heterogenization of homogenous oxidative desulfurization reaction on graphene-like BN with a novel peroxomolybdate ionic liquid.
Optical approach to resin formulation for 3D printed microfluidics
Authors: Gong Hua , Beauchamp Michael , Perry Steven , Woolley Adam T. , Nordin Gregory P.
Published: December 2015

Custom resin formulation enables 3D printing of much smaller microfluidic flow channels (60 μm × 108 μm) than obtained with commercial 3D printing service bureaus. Such size reduction is a prerequisite to 3D print truly microfluidic devices.
Fed-batch saccharification and ethanol fermentation of Jerusalem artichoke stalks by an inulinase producing Saccharomyces cerevisiae MK01
Authors: Khatun M. Mahfuza , Li Yong-Hao , Liu Chen-Guang , Zhao Xin-Qing , Bai Feng-Wu
Published: December 2015

Biorefinery of Jerusalem artichoke to produce ethanol as biofuel value-added product inulin.
Pitfalls and benefits of in situ and operando diffuse reflectance FT-IR spectroscopy (DRIFTS) applied to catalytic reactions
Authors: Meunier F. C.
Published: December 2015

The procedures and conditions that need to be fulfilled to be able to carry out appropriate in situ and operando diffuse reflectance FT-IR (DRIFTS) analyses are discussed.
Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Authors: Cameron Lindsay A. , Ziller Joseph W. , Heyduk Alan F.
Published: December 2015

Ligand-to-ligand charge-transfer complexes of nickel(ii) incorporating azanidophenolate donor ligands absorb near-IR light to access highly reducing excited states.
A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior
Authors: Zhang Xuan , Wang Zhao-Xi , Xie Haomiao , Li Ming-Xing , Woods Toby J. , Dunbar Kim R.
Published: December 2015

A spin-crossover conductor with partially charged TCNQ exhibits a high room temperature conductivity and an anomaly in conductivity.
Mesoporous Pt nanospheres with designed pore surface as highly active electrocatalyst
Authors: Jiang Bo , Li Cuiling , Malgras Victor , Imura Masataka , Tominaka Satoshi , Yamauchi Yusuke
Published: December 2015

A novel strategy for large-scale synthesis of shape- and size-controlled mesoporous Pt nanospheres (MPNs) through a slow reduction reaction in the presence of surfactant is reported here for the first time.
Enhancing the performance of MnO by double carbon modification for advanced lithium-ion battery anodes
Authors: Jiang Xiaojian , Yu Wei , Wang Hui , Xu Huayun , Liu Xizheng , Ding Yi
Published: December 2015

Unique porous MnO with micro/nano-architectures has been in situ decorated with carbon layers on the surface and by carbon nanotube doping. The composites exhibit stable electrochemical performance as anodes for Li ion batteries.
Uniform carbon-coated CdS core–shell nanostructures: synthesis, ultrafast charge carrier dynamics, and photoelectrochemical water splitting
Authors: Han Sancan , Pu Ying-Chih , Zheng Lingxia , Hu Linfeng , Zhang Jin Zhong , Fang Xiaosheng
Published: December 2015

The improved PEC performance and in-depth charge carrier analysis were studied in CdS/C composites obtained by a facile synthesis.
Highly adsorptive graphene aerogel microspheres with center-diverging microchannel structures
Authors: Liao Shuchi , Zhai Tianliang , Xia Hesheng
Published: December 2015

Novel graphene oxide aerogel microspheres (GOAMs) with well-defined “center-diverging microchannel” structures are obtained by a novel approach, i.e. a combination of electrospraying and freeze-casting. A formation mechanism, i.e. radial-directional freezing–thawing, was proposed. The reduced GOAMs exhibit excellent adsorption ability for various organic liquids and oils due to their highly hierarchical hydrophobic structure and a random packing effect.
Simultaneous evaluation of substrate-dependent oxygen consumption rates and mitochondrial membrane potential by TMRM and safranin in cortical mitochondria
Authors: Chowdhury Subir Roy , Djordjevic Jelena , Albensi Benedict C. , Fernyhough Paul
Published: December 2015

Mitochondrial membrane potential (mtMP) is critical for maintaining the physiological function of the respiratory chain to generate ATP. The present study characterized the inter-relationship between mtMP, using safranin and tetramethyl rhodamine methyl ester (TMRM), and mitochondrial respiratory activity and established a protocol for functional analysis of mitochondrial bioenergetics in a multi-sensor system. Coupled respiration was decreased by 27 and 30–35% in the presence of TMRM and safranin respectively. Maximal respiration was higher than coupled with Complex I- and II-linked substrates in the presence of both dyes. Safranin showed decreased maximal respiration at a higher concentration of carbonyl cyanide-4-(trifluoromethoxy)phenylhydrazone (FCCP) compared with TMRM. FCCP titration revealed that maximal respiration in the presence of glutamate and malate was not sustainable at higher FCCP concentrations as compared with pyruvate and malate. Oxygen consumption rate (OCR) and mtMP in response to mitochondrial substrates were higher in isolated mitochondria compared with tissue homogenates. Safranin exhibited higher sensitivity to changes in mtMP than TMRM. This multi-sensor system measured mitochondrial parameters in the brain of transgenic mice that model Alzheimer's disease (AD), because mitochondrial dysfunction is believed to be a primary event in the pathogenesis of AD. The coupled and maximal respiration of electron transport chain were decreased in the cortex of AD mice along with the mtMP compared with age-matched controls. Overall, these data demonstrate that safranin and TMRM are suitable for the simultaneous evaluation of mtMP and respiratory chain activity using isolated mitochondria and tissue homogenate. However, certain care should be taken concerning the selection of appropriate substrates and dyes for specific experimental circumstances.
Proposal of a ferroelectric multi‐bit memory structure for reliable operation at sub‐100 nm scale
Authors: Kim Woo Young , Lee Hee Chul
Published: December 2015

Although ferroelectric materials are attractive due to their non‐volatility originating from their spontaneous polarisation, advances in integrated density of these materials are required. To overcome the poor integration density compared with silicon integrated circuits, the concept of multi‐bit memory has arisen. Previous ferroelectric multi‐bit memory devices were developed through the realisation of a framework of two laterally neighbouring capacitors, in which both capacitors have different thicknesses for individual switching in different voltage ranges. However, a reliability issue with regard to limiting the additional scale down of these materials to the sub‐100 nm level arose due to self‐crosstalk, which was defined as a protrusion of the electric fringing field when a logic state was written in a multi‐bit memory device. Here, self‐crosstalk by simulating an electric field distribution in a multi‐bit memory cell based on an actual sample fabricated with a ferroelectric polymer, after which they suggest a new three‐dimensional structure of the ferroelectric multi‐bit memory device to eliminate self‐crosstalk.
Multi‐scale modelling on PM2.5 encapsulation inside doubly‐layered graphene
Authors: Chan Yue , Xia Liang , Ren Yong , Chen Yung‐Tsang
Published: December 2015

PM2.5 is classified as particles with radii <2.5 μm. It is evident that the continuous inhalation of such particles results in respiratory diseases such as lung cancer. Therefore, more effective adsorption of PM2.5 becomes crucial to comb the problem and the recent development of nanomaterials could provide a means to absorb and store PM2.5. In this reported work, a multi‐scale modelling is used to investigate the storage of PM2.5, in particular carbon monoxide (CO), sulphur dioxide (SO2) and nitrogen monoxide (NO) inside doubly‐layered graphene sheets. While the molecular adsorption is modelled by a modified equation of states in the adsorption regime, the interactions between molecules are captured using a mean field theory. The maximum gravimetric uptake for CO, SO2 and NO between the graphene of separation 20 Å is shown to be 19.45, 26.64 and 24.32 wt%, respectively, where the validity of the current model is confirmed by the case of hydrogen molecules with other experimental and simulations results. For higher temperatures, stronger pressure is needed to reach the same maximum uptakes as given at T = 77 K. The current model possesses the merit of rapid computational speed and is ready to be applied for other nanomaterials without conceptual difficulties. This graphene could be incorporated into an air purification system so as to raise the system's capacity in PM2.5 adsorption.
X‐ray diffraction analysis on layers in graphene samples obtained by electrolysis in molten salts: a new perspective
Authors: Andonovic Beti , Grozdanov Anita , Paunović Perica , Dimitrov Aleksandar T.
Published: December 2015

There are several accepted methods used for X‐ray diffraction analysis on graphene layers and sample's stacking height LC. The Scherrer equation is avoided since the layers in the graphene samples are non‐uniformly distributed and therefore the samples have non‐uniform thickness. Instead, a model that includes thickness distribution is used to calculate the average number of layers and then the stacking height. The analysis was performed on 12 graphene samples produced by high‐temperature electrolysis in molten salts. Another method that was used to calculate the number of layers and hence the samples’ stacking height, was Raman spectra C ‐peak position method. It served as a control model for the analysed samples, since for four samples the corresponding parts of the Raman spectra were not usable due to the very low‐frequency region. However, the obtained results of both methods were in agreement, and indicate that studied graphene samples are few layered.
Characterisation of SU‐8 n ‐doping carbon nanotube‐based electronic devices
Authors: Al‐Mumen Haider
Published: December 2015

Triarylium–solphonium salt, the chemical component of the SU‐8 photo resist, has been proved as an effective n ‐doping source for graphene. In this reported work, a study has been made of the effects of SU‐8 on single walled carbon nanotube networks. The results indicate that SU‐8 behaves as an electrons donor and causes an upward shift in the Fermi level. The cross‐linking property of the SU‐8 resembles an efficient isolator from the oxygen of the ambient. This leads to ambient‐stability of this doping technique. In addition, the doping technique shows negligible defects on the CNT surface and then higher transconductance is expected to be achieved. The temperature dependence of the Raman spectra of the CNT network observed a downshift in the G ‐band with increasing temperature. Finally, since SU‐8 is an e‐beam sensitive resist as well as a photo resist, it was used to selectively dope CNTs within the substrate area.
Bullet Fragment of the Lumbar Spine: The Decision is More Important than the Incision
Authors: Moisi Marc D. , Page Jeni , Gahramanov Seymour , Oskouian Rod J.
Published: December 2015

Study Design

Case report.

Objective

Treatment of gunshot wounds to the spine is a topic of continued discussion and controversy. The following case study provides a description of a patient with a gunshot wound to the lumbar spine with a retained bullet in the intrathecal space.

Methods

Immediately after gunshot injury, a patient developed lumbar and radicular pain, as well as neurologic deficits. He was taken for surgery to remove the retained bullet.

Results

Following surgery, pain and neurologic function improved. The operative techniques and the postoperative clinical management are discussed in this report.

Conclusion

In our opinion, it was necessary to remove the bullet to avoid migration and possible worsening of neurologic function. However, surgical intervention is not appropriate in every case, and ultimately decisions should be based on patient presentation, symptomology, and imaging.
The Outcome of Using Closed Suction Wound Drains in Patients Undergoing Lumbar Spine Surgery: A Systematic Review
Authors: Waly Feras , Alzahrani Mohammad M. , Abduljabbar Fahad H. , Landry Tara , Ouellet Jean , Moran Kathryn , Dettori Joseph R.
Published: December 2015

Study Design

Systematic review.

Objective

Determine whether closed suction wound drains decrease the incidence of postoperative complications compared with no drain use in patients undergoing spine surgery for lumbar degenerative conditions.

Methods

Electronic databases and reference lists of key articles were searched up through January 22, 2015, to identify studies comparing the use of closed suction wound drains with no drains in spine surgery for lumbar degenerative conditions. Outcomes assessed included the cumulative incidence of epidural hematoma, superficial and deep wound infection, and postoperative blood transfusion. The overall strength of evidence across studies was based on precepts outlined by the Grades of Recommendation Assessment, Development and Evaluation Working Group.

Results

Five heterogeneous studies, three randomized controlled trials, and two cohort studies form the evidence basis for this report. There was no difference in the incidence of hematoma, superficial wound infection, or deep infection in patients with compared with patients without closed suction wound drains after lumbar surgery. The upper bounds of the 95% confidence interval for hematoma ranged from 1.1 to 16.7%; for superficial infection, 1.0 to 7.3%; and for deep infection, 1.0 to 7.1%. One observational study reported a 3.5-fold increase in the risk of blood transfusion in patients with a drain. The overall strength of evidence for these findings is considered low or insufficient.

Conclusions

Conclusions from this systematic review are limited by the quality of included studies that assessed the use of closed suction wound drains in lumbar spine surgeries for degenerative conditions. We believe that spine surgeons should not routinely rely on closed suction wound drains in lumbar spine surgery until a higher level of evidence becomes available to support its use.