bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterization of the Thickness and Distribution of Latex Coatings on Polyvinylidene Chloride Beads by Backscattered Electron Imaging
Authors: Todd Clifford S. , Beyer Douglas E.
Published: February 2015

Polyvinylidene chloride (PVDC) co-polymer resins are commonly formulated with a variety of solid additives for the purpose of processing or stabilization. A homogeneous distribution of these additives during handling and processing is important. The Dow Chemical Company developed a process to incorporate solid materials in latex form onto PVDC resin bead surfaces using a coagulation process. In this context, we present a method to characterize the distribution and thickness of these latex coatings. The difference in backscattered electron signal from the higher mean atomic number PVDC core and lower atomic number latex coating in conjunction with scanning electron microscopy (SEM) imaging using a range of accelerating voltages was used to characterize latex thickness and distribution across large numbers of beads quickly and easily. Monte Carlo simulations were used to quantitatively estimate latex thickness as a function of brightness in backscatter electron images. This thickness calibration was validated by cross-sectioning using a focused ion-beam SEM. Thicknesses from 100 nm up to about 1.3 µm can be determined using this method.
On the abundance of extraterrestrial life after the Kepler mission
Authors: Wandel Amri
Published: February 2015

The data recently accumulated by the Kepler mission have demonstrated that small planets are quite common and that a significant fraction of all stars may have an Earth-like planet within their habitable zone. These results are combined with a Drake-equation formalism to derive the space density of biotic planets as a function of the relatively modest uncertainty in the astronomical data and of the (yet unknown) probability for the evolution of biotic life, Fb. I suggest that Fb may be estimated by future spectral observations of exoplanet biomarkers. If Fb is in the range 0.001–1, then a biotic planet may be expected within 10–100 light years from Earth. Extending the biotic results to advanced life I derive expressions for the distance to putative civilizations in terms of two additional Drake parameters – the probability for evolution of a civilization, Fc, and its average longevity. For instance, assuming optimistic probability values (Fb~Fc~1) and a broadcasting longevity of a few thousand years, the likely distance to the nearest civilizations detectable by searching for intelligent electromagnetic signals is of the order of a few thousand light years. The probability of detecting intelligent signals with present and future radio telescopes is calculated as a function of the Drake parameters. Finally, I describe how the detection of intelligent signals would constrain the Drake parameters.
The pervasive role of biological cohesion in bedform development
Authors: Malarkey Jonathan , Baas Jaco H. , Hope Julie A. , Aspden Rebecca J. , Parsons Daniel R. , Peakall Jeff , Paterson David M. , Schindler Robert J. , Ye Leiping , Lichtman Ian D. , Bass Sarah J. , Davies Alan G. , Manning Andrew J. , Thorne Peter D.
Published: February 2015

Sediment fluxes in aquatic environments are crucially dependent on bedform dynamics. However, sediment-flux predictions rely almost completely on clean-sand studies, despite most environments being composed of mixtures of non-cohesive sands, physically cohesive muds and biologically cohesive extracellular polymeric substances (EPS) generated by microorganisms. EPS associated with surficial biofilms are known to stabilize sediment and increase erosion thresholds. Here we present experimental data showing that the pervasive distribution of low levels of EPS throughout the sediment, rather than the high surficial levels of EPS in biofilms, is the key control on bedform dynamics. The development time for bedforms increases by up to two orders of magnitude for extremely small quantities of pervasively distributed EPS. This effect is far stronger than for physical cohesion, because EPS inhibit sand grains from moving independently. The results highlight that present bedform predictors are overly simplistic, and the associated sediment transport processes require re-assessment for the influence of EPS.
Convergence of soil nitrogen isotopes across global climate gradients
Authors: Craine Joseph M. , Elmore Andrew J. , Wang Lixin , Augusto Laurent , Baisden W. Troy , Brookshire E. N. J. , Cramer Michael D. , Hasselquist Niles J. , Hobbie Erik A. , Kahmen Ansgar , Koba Keisuke , Kranabetter J. Marty , Mack Michelle C. , Marin-Spiotta Erika , Mayor Jordan R. , McLauchlan Kendra K. , Michelsen Anders , Nardoto Gabriela B. , Oliveira Rafael S. , Perakis Steven S. , Peri Pablo L. , Quesada Carlos A. , Richter Andreas , Schipper Louis A. , Stevenson Bryan A. , Turner Benjamin L. , Viani Ricardo A. G. , Wanek Wolfgang , Zeller Bernd
Published: February 2015

Quantifying global patterns of terrestrial nitrogen (N) cycling is central to predicting future patterns of primary productivity, carbon sequestration, nutrient fluxes to aquatic systems and climate forcing. With limited direct measures of soil N cycling at the global scale, syntheses of the 15N:14N ratio of soil organic matter across climate gradients provide key insights into understanding global patterns of N cycling. In synthesizing data from over 6000 soil samples, we show strong global relationships among soil N isotopes, mean annual temperature (MAT), mean annual precipitation (MAP) and the concentrations of organic carbon and clay in soil. In both hot ecosystems and dry ecosystems, soil organic matter was more enriched in 15N than in corresponding cold ecosystems or wet ecosystems. Below a MAT of 9.8°C, soil δ15N was invariant with MAT. At the global scale, soil organic C concentrations also declined with increasing MAT and decreasing MAP. After standardizing for variation among mineral soils in soil C and clay concentrations, soil δ15N showed no consistent trends across global climate and latitudinal gradients. Our analyses could place new constraints on interpretations of patterns of ecosystem N cycling and global budgets of gaseous N loss.
Metabolomic profiling reveals deep chemical divergence between two morphotypes of the zoanthid Parazoanthus axinellae
Authors: Cachet Nadja , Genta-Jouve Grégory , Ivanisevic Julijana , Chevaldonné Pierre , Sinniger Frédéric , Culioli Gérald , Pérez Thierry , Thomas Olivier P.
Published: February 2015

Metabolomics has recently proven its usefulness as complementary tool to traditional morphological and genetic analyses for the classification of marine invertebrates. Among the metabolite-rich cnidarian order Zoantharia, Parazoanthus is a polyphyletic genus whose systematics and phylogeny remain controversial. Within this genus, one of the most studied species, Parazoanthus axinellae is prominent in rocky shallow waters of the Mediterranean Sea and the NE Atlantic Ocean. Although different morphotypes can easily be distinguished, only one species is recognized to date. Here, a metabolomic profiling approach has been used to assess the chemical diversity of two main Mediterranean morphotypes, the “slender” and “stocky” forms of P. axinellae. Targeted profiling of their major secondary metabolites revealed a significant chemical divergence between the morphotypes. While zoanthoxanthin alkaloids and ecdysteroids are abundant in both morphs, the “slender” morphotype is characterized by the presence of additional and bioactive 3,5-disubstituted hydantoin derivatives named parazoanthines. The absence of these specific compounds in the “stocky” morphotype was confirmed by spatial and temporal monitoring over an annual cycle. Moreover, specimens of the “slender” morphotype are also the only ones found as epibionts of several sponge species, particularly Cymbaxinella damicornis thus suggesting a putative ecological link.
Next Generation Device Grade Silicon-Germanium on Insulator
Authors: Littlejohns Callum G. , Nedeljkovic Milos , Mallinson Christopher F. , Watts John F. , Mashanovich Goran Z. , Reed Graham T. , Gardes Frederic Y.
Published: February 2015

High quality single crystal silicon-germanium-on-insulator has the potential to facilitate the next generation of photonic and electronic devices. Using a rapid melt growth technique we engineer tailored single crystal silicon-germanium-on-insulator structures with near constant composition over large areas. The proposed structures avoid the problem of laterally graded SiGe compositions, caused by preferential Si rich solid formation, encountered in straight SiGe wires by providing radiating elements distributed along the structures. This method enables the fabrication of multiple single crystal silicon-germanium-on-insulator layers of different compositions, on the same Si wafer, using only a single deposition process and a single anneal process, simply by modifying the structural design and/or the anneal temperature. This facilitates a host of device designs, within a relatively simple growth environment, as compared to the complexities of other methods and also offers flexibility in device designs within that growth environment.
Ultrafast Multi-Level Logic Gates with Spin-Valley Coupled Polarization Anisotropy in Monolayer MoS2
Authors: Wang Yu-Ting , Luo Chih-Wei , Yabushita Atsushi , Wu Kaung-Hsiung , Kobayashi Takayoshi , Chen Chang-Hsiao , Li Lain-Jong
Published: February 2015

The inherent valley-contrasting optical selection rules for interband transitions at the K and K′ valleys in monolayer MoS2 have attracted extensive interest. Carriers in these two valleys can be selectively excited by circularly polarized optical fields. The comprehensive dynamics of spin valley coupled polarization and polarized exciton are completely resolved in this work. Here, we present a systematic study of the ultrafast dynamics of monolayer MoS2 including spin randomization, exciton dissociation, free carrier relaxation and electron-hole recombination by helicity- and photon energy-resolved transient spectroscopy. The time constants for these processes are 60 fs, 1 ps, 25 ps and ~300 ps, respectively. The ultrafast dynamics of spin polarization, valley population and exciton dissociation provides the desired information about the mechanism of radiationless transitions in various applications of 2D transition metal dichalcogenides. For example, spin valley coupled polarization provides a promising way to build optically selective-driven ultrafast valleytronics at room temperature. Therefore, a full understanding of the ultrafast dynamics in MoS2 is expected to provide important fundamental and technological perspectives.
Evidences of grain boundary capacitance effect on the colossal dielectric permittivity in (Nb + In) co-doped TiO2 ceramics
Authors: Li Jinglei , Li Fei , Li Chao , Yang Guang , Xu Zhuo , Zhang Shujun
Published: February 2015

The (Nb + In) co-doped TiO2 ceramics were synthesized by conventional solid-state sintering (CSSS) and spark plasma sintering (SPS) methods. The phases and microstructures were studied by X-ray diffraction, Raman spectra, field-emission scanning electron microscopy and transmission electron microscopy, indicating that both samples were in pure rutile phase while showing significant difference in grain size. The dielectric and I–V behaviors of SPS and CSSS samples were investigated. Though both possess colossal permittivity (CP), the SPS samples exhibited much higher dielectric permittivity/loss factor and lower breakdown electric field when compared to their CSSS counterparts. To further explore the origin of CP in co-doped TiO2 ceramics, the I–V behavior was studied on single grain and grain boundary in CSSS sample. The nearly ohmic I–V behavior was observed in single grain, while GBs showed nonlinear behavior and much higher resistance. The higher dielectric permittivity and lower breakdown electric field in SPS samples, thus, were thought to be associated with the feature of SPS, by which reduced space charges and/or impurity segregation can be achieved at grain boundaries. The present results support that the grain boundary capacitance effect plays an important role in the CP and nonlinear I–V behavior of (Nb + In) co-doped TiO2 ceramics.
Anatomical networks reveal the musculoskeletal modularity of the human head
Authors: Esteve-Altava Borja , Diogo Rui , Smith Christopher , Boughner Julia C. , Rasskin-Gutman Diego
Published: February 2015

Mosaic evolution is a key mechanism that promotes robustness and evolvability in living beings. For the human head, to have a modular organization would imply that each phenotypic module could grow and function semi-independently. Delimiting the boundaries of head modules and even assessing their existence, is essential to understand human evolution. Here we provide the first study of the human head using anatomical network analysis (AnNA), offering the most complete overview of the modularity of the head to date. Our analysis integrates the many biological dependences that tie hard and soft tissues together, arising as a consequence of development, growth, stresses and loads and motion. We created an anatomical network model of the human head, where nodes represent anatomical units and links represent their physical articulations. The analysis of the human head network uncovers the presence of 10 musculoskeletal modules, deep-rooted in these biological dependences, of developmental and evolutionary significance. In sum, this study uncovers new anatomical and functional modules of the human head using a novel quantitative method that enables a more comprehensive understanding of the evolutionary anatomy of our lineage, including the evolution of facial expression and facial asymmetry.
Correlations between long inverted repeat (LIR) features, deletion size and distance from breakpoint in human gross gene deletions
Authors: Aygun Nevim
Published: February 2015

Long inverted repeats (LIRs) have been shown to induce genomic deletions in yeast. In this study, LIRs were investigated within ±10 kb spanning each breakpoint from 109 human gross deletions, using Inverted Repeat Finder (IRF) software. LIR number was significantly higher at the breakpoint regions, than in control segments (P < 0.001). In addition, it was found that strong correlation between 5′ and 3′ LIR numbers, suggesting contribution to DNA sequence evolution (r = 0.85, P < 0.001). 138 LIR features at ±3 kb breakpoints in 89 (81%) of 109 gross deletions were evaluated. Significant correlations were found between distance from breakpoint and loop length (r = −0.18, P < 0.05) and stem length (r = −0.18, P < 0.05), suggesting DNA strands are potentially broken in locations closer to bigger LIRs. In addition, bigger loops cause larger deletions (r = 0.19, P < 0.05). Moreover, loop length (r = 0.29, P < 0.02) and identity between stem copies (r = 0.30, P < 0.05) of 3′ LIRs were more important in larger deletions. Consequently, DNA breaks may form via LIR-induced cruciform structure during replication. DNA ends may be later repaired by non-homologous end-joining (NHEJ), with following deletion.
Ranking the impact of human health disorders on gut metabolism: Systemic lupus erythematosus and obesity as study cases
Authors: Rojo David , Hevia Arancha , Bargiela Rafael , López Patricia , Cuervo Adriana , González Sonia , Suárez Ana , Sánchez Borja , Martínez-Martínez Mónica , Milani Christian , Ventura Marco , Barbas Coral , Moya Andrés , Suárez Antonio , Margolles Abelardo , Ferrer Manuel
Published: February 2015

Multiple factors have been shown to alter intestinal microbial diversity. It remains to be seen, however, how multiple collective pressures impact the activity in the gut environment and which, if any, is positioned as a dominant driving factor determining the final metabolic outcomes. Here, we describe the results of a metabolome-wide scan of gut microbiota in 18 subjects with systemic lupus erythematosus (SLE) and 17 healthy control subjects and demonstrate a statistically significant difference (p < 0.05) between the two groups. Healthy controls could be categorized (p < 0.05) based on their body mass index (BMI), whereas individuals with SLE could not. We discuss the prevalence of SLE compared with BMI as the dominant factor that regulates gastrointestinal microbial metabolism and provide plausible explanatory causes. Our results uncover novel perspectives with clinical relevance for human biology. In particular, we rank the importance of various pathophysiologies for gut homeostasis.
Development of an on-animal separation-based sensor for monitoring drug metabolism in freely roaming sheep
Authors: Scott David E. , Willis Sean D. , Gabbert Seth , Johnson David , Naylor Erik , Janle Elsa M. , Krichevsky Janice E. , Lunte Craig E. , Lunte Susan M.
Published: February 2015

Lab-on-a-sheep: on-animal sensor using microdialysis coupled to microchip electrophoresis with electrochemical detection.
Post-mortem interval estimation of human skeletal remains by micro-computed tomography, mid-infrared microscopic imaging and energy dispersive X-ray mapping
Authors: Longato S. , Wöss C. , Hatzer-Grubwieser P. , Bauer C. , Parson W. , Unterberger S. H. , Kuhn V. , Pemberger N. , Pallua Anton K. , Recheis W. , Lackner R. , Stalder R. , Pallua J. D.
Published: February 2015

In this study different state-of-the-art visualization methods were evaluated to study human skeletal remains for the determination of the post-mortem interval (PMI).
Cu2+ induced formation of Au44(SC2H4Ph)32 and its high catalytic activity for the reduction of 4-nitrophenol at low temperature
Authors: Li Man-Bo , Tian Shi-Kai , Wu Zhikun , Jin Rongchao
Published: February 2015

A novel nanocluster Au44(SC2H4Ph)32 exhibiting high catalytic activity at low-temperature was synthesized by an oxidation–decomposition–recombination (ODR) process.
A high-performance nanoporous Si/Al2O3 foam lithium-ion battery anode fabricated by selective chemical etching of the Al–Si alloy and subsequent thermal oxidation
Authors: Hwang Gaeun , Park Hyungmin , Bok Taesoo , Choi Sinho , Lee Sungjun , Hwang Inchan , Choi Nam-Soon , Seo Kwanyong , Park Soojin
Published: February 2015

We demonstrate a simple synthetic process of Si/Al2O3 foam particles by chemical etching and thermal oxidation.
Calcium peroxide from ambient to high pressures
Authors: Nelson Joseph R. , Needs Richard J. , Pickard Chris J.
Published: February 2015

Structure searching reveals new phases of calcium peroxide that are stable at pressures and temperatures found in planetary interiors.
Theoretical design of solvatochromism switching by photochromic reactions using donor–acceptor disubstituted diarylethene derivatives with oxidized thiophene rings
Authors: Okuno Katsuki , Shigeta Yasuteru , Kishi Ryohei , Nakano Masayoshi
Published: February 2015

We have theoretically designed diarylethene derivatives showing solvatochromism switching by photochromic reactions, using TD-DFT with PCM.
Zinc oxide nanocrystal quenching of emission from electron-rich ruthenium-bipyridine complexes
Authors: Hue Ryan J. , Vatassery Rajan , Mann Kent R. , Gladfelter Wayne L.
Published: February 2015

Heteroleptic tris(bipyridine)ruthenium complexes bearing one dicarboxybipyridine ligand bind to dispersed ZnO nanocrystals. Electron releasing amino substituents on the remaining bipyridines raise the excited state potential high enough to allow excited state electron transfer into the ZnO.
Bioactivity, stability and phenolic characterization of Filipendula ulmaria (L.) Maxim.
Authors: Katanić Jelena , Boroja Tatjana , Stanković Nevena , Mihailović Vladimir , Mladenović Milan , Kreft Samo , Vrvić Miroslav M.
Published: February 2015

The purpose of the present study was to evaluate the antioxidant and antimicrobial potential of Filipendula ulmaria (L.) Maxim. methanolic extracts, their stabilities under different pH and thermal conditions and in vitro digestibility.
An integrated metabolomics approach for the research of new cerebrospinal fluid biomarkers of multiple sclerosis
Authors: Pieragostino Damiana , D'Alessandro Michele , di Ioia Maria , Rossi Claudia , Zucchelli Mirco , Urbani Andrea , Di Ilio Carmine , Lugaresi Alessandra , Sacchetta Paolo , Del Boccio Piero
Published: February 2015

(1) Lipid profiling in MuS and OND patients. (2) Search of alterations associated with MuS. (3) Characterization of differences.
Animals in a bacterial world: opportunities for chemical ecology
Authors: Cantley Alexandra M. , Clardy Jon
Published: February 2015

In this Viewpoints article we examine the roles of bacterially produced small molecules in animal defense, development and evolution.
Nanocarriers in therapy of infectious and inflammatory diseases
Authors: Ikoba Ufuoma , Peng Haisheng , Li Haichun , Miller Cathy , Yu Chenxu , Wang Qun
Published: February 2015

Scheme of applications of various nanocarriers in the therapy of infectious and inflammatory diseases.
Robust transparent mesoporous silica membranes as matrices for colorimetric sensors
Authors: Kim Donghun , Chmelka Bradley F.
Published: February 2015

Transparent functionalized mesoporous silica membranes have been prepared with high surface areas (∼500 m2 g−1) that exhibit high sensitivities for colorimetric detection and sensing of dilute heavy-metal ions (e.g., Pb2+).
Preparation and study on anti-tumor effect of chitosan-coated oleanolic acid liposomes
Authors: Bian Yanhong , Gao Dawei , Liu Yanping , Li Nan , Zhang Xuwu , Zheng Rui Yu , Wang Qianqian , Luo Liyao , Dai Kun
Published: February 2015

Chitosan modified OA liposomes can achieve the desired effect of tumor-targeting drug delivery and improve the anti-tumor efficacy.
Building polyfunctional piperidines: a stereoselective strategy of a three-component Mannich reaction inspired by biosynthesis and applications in the synthesis of natural alkaloids (+)-241D; (−)-241D; isosolenopsin A and (−)-epimyrtine
Authors: Yang Yang
Published: February 2015

A stereoselective strategy for building polyfunctional piperidines by a three-component Mannich reaction and applications in the stereoselective synthesis of natural alkaloids.
Synthesis of recyclable, chemically cross-linked, high toughness, high conductivity ion gels by sequential triblock copolymer self-assembly and disulfide bond cross-linking
Authors: Wei Chengsha , Chen Mingming , Liu Dong , Zhou Weiming , Khan Majid , Wu Xibo , Huang Ningdong , Li Liangbin
Published: February 2015

We reported the synthesis of a high toughness, high conductivity ion gels by a sequential triblock copolymer self-assembly and disulfide bond cross-linking, combining the high toughness of chemical with recyclability of physical cross-linking ones.
Tunable negative permittivity based on phenolic resin and multi-walled carbon nanotubes
Authors: Qian Lei , Lu Lu , Fan Runhua
Published: February 2015

Tunable negative permittivity was produced from phenolic resin with three-dimensional conductive networks of multi-walled carbon nanotubes.
Aryl-substituted symmetrical and unsymmetrical benzothiadiazoles
Authors: Gautam Prabhat , Maragani Ramesh , Misra Rajneesh
Published: February 2015

The incorporation of a planar anthracene unit lowers the HOMO–LUMO gap and improves the thermal stability of donor–acceptor benzothiadiazoles.
Magnetic anisotropic properties of Pd/Co/Pd trilayer films studied by X-ray absorption spectroscopy and magnetic circular dichroism
Authors: Saravanan K. , Kao C.-H. , Shao Y.-C. , Wang Y.-F. , Wang B.-Y. , Wang H. T. , Tsai C.-J. , Lin W.-C. , Pao C.-W. , Tsai H.-M. , Jang L.-Y. , Lin H. J. , Lee J.-F. , Pong W.-F.
Published: February 2015

Strong perpendicular magnetic anisotropy (PMA) is observed in annealed Pd/Co/Pd trilayer film. The effect of temperature on alloy formation, the relationship among the atomic/electronic structures, magnetic moments and PMA has been studied.
Two-dimensional colloidal crystal heterostructures
Authors: Xue Fei , Asher Sanford A. , Meng Zihui , Wang Fengyan , Lu Wei , Xue Min , Qi Fenglian
Published: February 2015

A simple method to fabricate colloidal crystal heterostructures based on a two-dimensional colloidal crystal was developed.
Supercapacitor performance of carbon nanofiber electrodes derived from immiscible PAN/PMMA polymer blends
Authors: Abeykoon Nimali C. , Bonso Jeliza S. , Ferraris John P.
Published: February 2015

CNFs derived from electrospun immiscible blend of PAN and PMMA (95 : 5) afforded a specific capacitance of 140 F g−1 and an energy density of 67 W h kg−1 (active material) at 3.5 V in coin cell supercapacitors using an ionic liquid electrolyte.
Effective liquid phase hydrodechlorination of diclofenac catalysed by Pd/CeO2
Authors: Wu Ke , Qian Xiaojun , Chen Liangyan , Xu Zhaoyi , Zheng Shourong , Zhu Dongqiang
Published: February 2015

Palladium catalyst supported on CeO2 exhibited much higher catalytic activity for the liquid phase hydrodechlorination of diclofenac than those on Al2O3, activated carbon and SiO2.
Facile synthesis of well-defined linear-comb highly branched poly(ε-caprolactone) using hydroxylated polybutadiene and organocatalyst
Authors: Ren Yingying , Gao Qing , Zhou Cheng , Wei Zhiyong , Zhang Yu , Li Yang
Published: February 2015

A simple method was proposed to synthesize well-defined linear-comb highly branched poly(ε-caprolactone) with high molecular weight and narrow polydispersity.
Structural evolution during sodium deintercalation/intercalation in Na2/3[Fe1/2Mn1/2]O2
Authors: Singh Gurpreet , López del Amo Juan Miguel , Galceran Montserrat , Pérez-Villar Sofía , Rojo Teofilo
Published: February 2015

Phase transitions occurring during the (de)intercalation of Na in Na2/3[Fe1/2Mn1/2]O2 have been examined by using in situ XRD and in situ Raman Spectroscopy along with ex situ NMR.
Supramolecular hydrogels co-loaded with camptothecin and doxorubicin for sustainedly synergistic tumor therapy
Authors: Zhang Wei , Zhou Xiaoyan , Liu Tao , Ma Dong , Xue Wei
Published: February 2015

A supramolecular hydrogel was prepared to encapsulate and release both camptothecin and doxorubicin in a controlled manner for sustainedly synergistic tumor therapy.
Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli
Authors: Zhang Yujian , Song Qingbao , Wang Kai , Mao Wengang , Cao Feng , Sun Jingwei , Zhan Lingling , Lv Yaokang , Ma Yuguang , Zou Bo , Zhang Cheng
Published: February 2015

The organic crystals BCrys, SCrys and YCrys with the blue, sky-blue, and yellow fluorescence, respectively exhibit the responsive fluorescence switching under grinding, heating and solvent vapour stimulation.
The dramatic effect of the annealing temperature and dielectric functionalization on the electron mobility of indene-C60 bis-adduct thin films
Authors: Orgiu Emanuele , Squillaci Marco A. , Rekab Wassima , Börjesson Karl , Liscio Fabiola , Zhang Lei , Samorì Paolo
Published: February 2015

The effect of annealing temperature/duration and surface functionalization is explored for indene-C60 bis-adduct (ICBA) films. Electron mobility approaches 0.1 cm2 V−1 s−1.
Plasma polymerised polyoxazoline thin films for biomedical applications
Authors: Ramiasa M. N. , Cavallaro A. A. , Mierczynska A. , Christo S. N. , Gleadle J. M. , Hayball J. D. , Vasilev K.
Published: February 2015

We report novel solvent-free and substrate independent, plasma polymerised nanoscale biocompatible polyoxazoline coatings capable of controlling protein and cell adhesion, and significantly reducing biofilm build up.
Syndioselective coordination polymerization of unmasked polar methoxystyrenes using a pyridenylmethylene fluorenyl yttrium precursor
Authors: Liu Dongtao , Wang Rong , Wang Meiyan , Wu Chunji , Wang Zichuan , Yao Changguang , Liu Bo , Wan Xinhua , Cui Dongmei
Published: February 2015

A new family of syndiotactic polystyrene derivatives containing a methoxyl group was established successfully by employing a yttrium catalyst.
Potential sonodynamic anticancer activities of artemether and liposome-encapsulated artemether
Authors: Chen Hai-Jun , Huang Xiu-Rong , Zhou Xiao-Bin , Zheng Bi-Yuan , Huang Jian-Dong
Published: February 2015

The potential application of artemether as a novel sonosensitizer for sonodynamic therapy was explored and illustrated for the first time.
Molecular dynamics simulations of proton-ordered water confined in low-diameter carbon nanotubes
Authors: Li Shujuan , Schmidt Burkhard
Published: February 2015

Metastable ferroelectric, ferrielectric, and antiferroelectric structures of water confined in carbon nanotubes and their abrupt or continuous transitions are identified.
Correction: Experimental and theoretical charge density distribution in Pigment Yellow 101
Authors: Du Jonathan J. , Váradi Linda , Tan Jinlong , Zhao Yiliang , Groundwater Paul W. , Platts James A. , Hibbs David E.
Published: February 2015

Correction for ‘Experimental and theoretical charge density distribution in Pigment Yellow 101’ by Jonathan J. Du et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c4cp04302b.
Measuring concentration fields in microfluidic channels in situ with a Fabry–Perot interferometer
Authors: Vogus Douglas R. , Mansard Vincent , Rapp Michael V. , Squires Todd M.
Published: February 2015

Recent advancements in microfluidic technology have allowed for the generation and control of complex chemical gradients; however, few general techniques can measure these spatio-temporal concentration profiles without fluorescent labeling.
Nanostructuring of a GNS-V2O5–TiO2 core–shell photocatalyst for water remediation applications under sun-light irradiation
Authors: Ajay Rakkesh R. , Durgalakshmi D. , Balakumar S.
Published: February 2015

The GNS-V2O5–TiO2 composite, as a new class of nanoarchitecture, has been successfully fabricated by a facile hydrothermal process followed by a sol–gel technique.
Role of pentahedrally coordinated titanium in titanium silicalite-1 in propene epoxidation
Authors: Zuo Yi , Liu Min , Zhang Ting , Hong Luwei , Guo Xinwen , Song Chunshan , Chen Yongsheng , Zhu Pengyu , Jaye Cherno , Fischer Daniel
Published: February 2015

A new pentahedrally coordinated Ti was discovered in TS-1 and showed a higher catalytic activity than the tetrahedrally coordinated one.
NiMoO4@Co(OH)2 core/shell structure nanowire arrays supported on Ni foam for high-performance supercapacitors
Authors: Ren Weiji , Guo Di , Zhuo Ming , Guan Bingkun , Zhang Dan , Li Qiuhong
Published: February 2015

NiMoO4@Co(OH)2 core/shell structure nanowire arrays (NWAs) supported on Ni foam were successfully fabricated via a facile hydrothermal growth and electrochemical deposition route, and applied in supercapacitors (SCs).
Correction: Biocompatible graphene oxide as a folate receptor-targeting drug delivery system for the controlled release of anti-cancer drugs
Authors: Zhao Xubo , Liu Peng
Published: February 2015

Correction for ‘Biocompatible graphene oxide as a folate receptor-targeting drug delivery system for the controlled release of anti-cancer drugs’ by Xubo Zhao et al., RSC Adv., 2014, 4, 24232–24239.
A facile approach of introducing DMS into LiODFB–PYR14TFSI electrolyte for lithium-ion batteries
Authors: Chen Renjie , Chen Yan , Zhu Lu , Zhu Qizhen , Wu Feng , Li Li
Published: February 2015

We report the introduction of lithium difluoro(oxalato)borate and dimethyl sulfite into N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide-based electrolytes for lithium-ion batteries, which exhibit excellent electrochemical performance.
Pressure-assisted electrode fabrication using simply synthesized Cu3Sn alloy nanoparticles
Authors: Cho Sanghun , Lim Keon-Hee , Park Si Yun , Yin Zhenxing , Yoo Jeeyoung , Kim Youn Sang
Published: February 2015

We suggest the simple one-pot synthesis of Cu3Sn nanoparticles with high oxidation-resistivity, good electron conductivity and easy process-ability. In addition, we introduce the fabrication of pressure-assisted electrode at room temperature, which have a good potential for various functional devices on a plastic substrate.
Diversification of importin-α isoforms in cellular trafficking and disease states
Authors: Pumroy Ruth A. , Cingolani Gino
Published: February 2015

The human genome encodes seven isoforms of importin α which are grouped into three subfamilies known as α1, α2 and α3. All isoforms share a fundamentally conserved architecture that consists of an N-terminal, autoinhibitory, importin-β-binding (IBB) domain and a C-terminal Arm (Armadillo)-core that associates with nuclear localization signal (NLS) cargoes. Despite striking similarity in amino acid sequence and 3D structure, importin-α isoforms display remarkable substrate specificity in vivo. In the present review, we look at key differences among importin-α isoforms and provide a comprehensive inventory of known viral and cellular cargoes that have been shown to associate preferentially with specific isoforms. We illustrate how the diversification of the adaptor importin α into seven isoforms expands the dynamic range and regulatory control of nucleocytoplasmic transport, offering unexpected opportunities for pharmacological intervention. The emerging view of importin α is that of a key signalling molecule, with isoforms that confer preferential nuclear entry and spatiotemporal specificity on viral and cellular cargoes directly linked to human diseases.
Modulation of spectral properties and pump activity of proteorhodopsins by retinal analogues
Authors: Ganapathy Srividya , Bécheau Odette , Venselaar Hanka , Frölich Siebren , van der Steen Jeroen B. , Chen Que , Radwan Sarah , Lugtenburg Johan , Hellingwerf Klaas J. , de Groot Huub J. M. , de Grip Willem J.
Published: February 2015

Proteorhodopsins are heptahelical membrane proteins which function as light-driven proton pumps. They use all-trans-retinal A1 as a ligand and chromophore and absorb visible light (520–540 nm). In the present paper, we describe modulation of the absorbance band of the proteorhodopsin from Monterey Bay SAR 86 gammaproteobacteria (PR), its red-shifted double mutant PR-D212N/F234S (PR-DNFS) and Gloeobacter rhodopsin (GR). This was approached using three analogues of all-trans-retinal A1, which differ in their electronic and conformational properties: all-trans-6,7-s-trans-locked retinal A1, all-trans-phenyl-retinal A1 and all-trans-retinal A2. We further probed the effect of these retinal analogues on the proton pump activity of the proteorhodopsins. Our results indicate that, whereas the constraints of the retinal-binding pocket differ for the proteorhodopsins, at least two of the retinal analogues are capable of shifting the absorbance bands of the pigments either bathochromically or hypsochromically, while maintaining their proton pump activity. Furthermore, the shifts implemented by the analogues add up to the shift induced by the double mutation in PR-DNFS. This type of chromophore substitution may present attractive applications in the field of optogenetics, towards increasing the flexibility of optogenetic tools or for membrane potential probes.
Vinexin-β exacerbates cardiac dysfunction post-myocardial infarction via mediating apoptotic and inflammatory responses
Authors: Liu Xiaoxiong , Wan Nian , Zhang Xiao-Jing , Zhao Yichao , Zhang Yan , Hu Gangying , Wan Fengwei , Zhang Rui , Zhu Xueyong , Xia Hao , Li Hongliang
Published: February 2015

Vinexin-β is one of the adaptor proteins that are primarily involved in signal transduction and cytoskeletal organization under various pathological conditions, including cardiac hypertrophy. However, the role of Vinexin-β in myocardial infarction (MI) remains unknown. In this study, dramatically up-regulated Vinexin-β expression was observed in both ischaemic human hearts and infarcted animal hearts. To explore the potential involvement of Vinexin-β in MI further, we induced MI injury in global Vinexin-β-knockout mice and wild-type (WT) controls as well as in mice with cardiac-specific over-expression of the human Vinexin-β gene-transgenic (TG) and -non-transgenic (NTG) littermates. Compared with that observed in WT controls, Vinexin-β deficiency significantly decreased MI-induced infarct size, concomitant with an improved cardiac function, leading to an increase in the survival rate. The myocardial apoptosis in the border zone was dramatically reduced by Vinexin-β deficiency, resulting from the altered expression of apoptotic factors. Furthermore, Vinexin-β depletion mitigated the inflammatory response, as evidenced by reduced inflammatory cell infiltration, decreased expression of cytokines and the inactivation of NF-κB (nuclear factor κB) signalling. In contrast, Vinexin-β-TG mice were much more susceptible to MI injury compared with NTG controls. Further mechanism analyses suggested that Vinexin-β exerted detrimental effects largely dependent on blocking AKT signalling. The effects and mechanisms of Vinexin-β on MI observed in vivo were further confirmed by our in vitro assays. When collected, these data demonstrate for the first time that Vinexin-β increases MI-induced mortality and worsens cardiac dysfunction through aggravation of myocardial apoptosis and inflammatory response.
Hypotensive and sympathoinhibitory responses to selective central AT2 receptor stimulation in spontaneously hypertensive rats
Authors: Brouwers Sofie , Smolders Ilse , Wainford Richard D. , Dupont Alain G.
Published: February 2015

The type 2 angiotensin receptor (AT2R) has been suggested to counterbalance the type 1 angiotensin receptor (AT1R) in the central regulation of blood pressure and sympathetic tone. In the present study we investigated the blood pressure responses to stimulation of central AT2Rs by the selective agonist Compound 21 in conscious spontaneously hypertensive rats (SHRs) and normotensive Wistar Kyoto rats (WKY rats). We also assessed the impact on noradrenaline [norepinephrine (NE)] plasma levels, autonomic function, spontaneous baroreflex sensitivity, and the possible involvement of the nitric oxide (NO) pathway and the AT1Rs. Chronic intracerebroventricular Compound 21 infusion lowered blood pressure and NE plasma levels in both rat strains. The night-time hypotensive effect was greater in SHRs compared with WKY rats. Compound 21 improved spontaneous baroreflex sensitivity more in SHRs than in WKY rats. These effects were abolished by co-administration of the AT2R antagonist PD123319 or the NO synthase inhibitor Nω-nitro-L-arginine methyl ester hydrochloride (L-NAME). Central AT1R blockade did not enhance the hypotensive response to Compound 21. Chronic selective stimulation of central AT2Rs lowers blood pressure through sympathoinhibition, and improves spontaneous baroreflex sensitivity more in SHRs than in WKY rats. These responses appear to require a functioning central NO pathway, but are not modified by central AT1R blockade. Collectively, the data demonstrate specific beneficial effects of stimulation of central AT2Rs in hypertension associated with increased sympathetic tone, and suggest that central AT2Rs may represent a potential new therapeutic target for the treatment of neurogenic hypertension.
Realization of quasi-spherical implosion using pre-shaped prolate wire arrays with a compression foam target inside
Authors: Zhang Yang , Ding Ning , Li Zhenghong , Xu Rongkun , Chen Dingyang , Ye Fan , Zhou Xiuwen , Chen Faxin , Chen Jinchuan , Li Linbo , Xiao Delong , Sun Shunkai , Xue Chuang , Shu Xiaojian , Wang Jianguo
Published: February 2015

Quasi-spherical (QS) implosion of wire arrays and its impact on the foam target have been studied on the 100 ns 1.5 MA Qiangguang-I facility, which suggests that a high quality impact between the QS implosion and foam target can be achieved by adjusting load's initial shape carefully to match the external magnetic pressure. Implosions of loads with H/d ∼ 1.2 were studied with a self-emission x-ray pinhole image system and a dark field schlieren system. The radially developed spike-like instabilities indicate the spherical convergence of plasma. The observed radiation on the foam target surface suggests satisfying implosion symmetry and wire-foam impact simultaneity. An average implosion speed of 10.5 × 106 cm/s was obtained with an optical streak image system. The derived peak kinetic energy density ∼2.1 kJ/cm is remarkably higher than cylindrical cases, which agree with the expectations.
Temperature dependence of contact and dipolar NMR chemical shifts in paramagnetic molecules
Authors: Martin Bob , Autschbach Jochen
Published: February 2015

Using a recently proposed equation for NMR nuclear magnetic shielding for molecules with unpaired electrons [A. Soncini and W. Van den Heuvel, J. Chem. Phys. 138, 021103 (2013)], equations for the temperature (T) dependent isotropic shielding for multiplets with an effective spin S equal to 1/2, 1, 3/2, 2, and 5/2 in terms of electron paramagnetic resonance spin Hamiltonian parameters are derived and then expanded in powers of 1/T. One simplifying assumption used is that a matrix derived from the zero-field splitting (ZFS) tensor and the Zeeman coupling matrix (g-tensor) share the same principal axis system. The influence of the rhombic ZFS parameter E is only investigated for S = 1. Expressions for paramagnetic contact shielding (from the isotropic part of the hyperfine coupling matrix) and pseudo-contact or dipolar shielding (from the anisotropic part of the hyperfine coupling matrix) are considered separately. The leading order is always 1/T. A temperature dependence of the contact shielding as 1/T and of the dipolar shielding as 1/T2, which is sometimes assumed in the assignment of paramagnetic chemical shifts, is shown to arise only if S ≥ 1 and zero-field splitting is appreciable, and only if the Zeeman coupling matrix is nearly isotropic (Δg = 0). In such situations, an assignment of contact versus dipolar shifts may be possible based only on linear and quadratic fits of measured variable-temperature chemical shifts versus 1/T. Numerical data are provided for nickelocene (S = 1). Even under the assumption of Δg = 0, a different leading order of contact and dipolar shifts in powers of 1/T is not obtained for S = 3/2. When Δg is not very small, dipolar and contact shifts both depend in leading order in 1/T in all cases, with sizable contributions in order 1/Tn with n = 2 and higher.
Systematic and simulation-free coarse graining of homopolymer melts: A structure-based study
Authors: Yang Delian , Wang Qiang
Published: February 2015

We propose a systematic and simulation-free strategy for coarse graining of homopolymer melts, where each chain of Nm monomers is uniformly divided into N segments, with the spatial position of each segment corresponding to the center-of-mass of its monomers. We use integral-equation theories suitable for the study of equilibrium properties of polymers, instead of many-chain molecular simulations, to obtain the structural and thermodynamic properties of both original and coarse-grained (CG) systems, and quantitatively examine how the effective pair potentials between CG segments and the thermodynamic properties of CG systems vary with N. Our systematic and simulation-free strategy is much faster than those using many-chain simulations, thus effectively solving the transferability problem in coarse graining, and provides the quantitative basis for choosing the appropriate N-values. It also avoids the problems caused by finite-size effects and statistical uncertainties in many-chain simulations. Taking the simple hard-core Gaussian thread model [K. S. Schweizer and J. G. Curro, Chem. Phys. 149, 105 (1990)] as the original system, we demonstrate our strategy applied to structure-based coarse graining, which is quite general and versatile, and compare in detail the various integral-equation theories and closures for coarse graining. Our numerical results show that the effective CG potentials for various N and closures can be collapsed approximately onto the same curve, and that structure-based coarse graining cannot give thermodynamic consistency between original and CG systems at any N < Nm.
Nonlinear surface plasma wave induced target normal sheath acceleration of protons
Authors: Liu C. S. , Tripathi V. K. , Shao Xi , Liu T. C.
Published: February 2015

The mode structure of a large amplitude surface plasma wave (SPW) over a vacuum–plasma interface, including relativistic and ponderomotive nonlinearities, is deduced. It is shown that the SPW excited by a p-polarized laser on a rippled thin foil target can have larger amplitude than the transmitted laser amplitude and cause stronger target normal sheath acceleration of protons as reported in a recent experiment. Substantial enhancement in proton number also occurs due to the larger surface area covered by the SPW.
Simulation study of nanoparticle coating in a low pressure plasma reactor
Authors: Pourali N. , Foroutan G.
Published: February 2015

A self-consistent combination of plasma fluid model, nanoparticle heating model, and surface deposition model is used to investigate the coating of nanosize particles by amorphous carbon layers in a low pressure plasma reactor. The numerical results show that, owing to the net heat release in the surface reactions, the particle temperature increases and its equilibrium value remains always 50 K above the background gas temperature. The deposition rate decreases with increasing of the particle temperature and the corresponding time scale is of the order of 10 ms. The deposition rate is also strongly affected by the change in plasma parameters. When the electron temperature is increased, the deposition rate first increases due to the enhanced ion and radical generation, shows a maximum and then declines as the particle temperature rises above the gas temperature. An enhancement in the background gas pressure and/or temperature leads to a reduction in the deposition rate, which can be explained in terms of the enhanced etching by atomic hydrogen and particle heating by the background gas.
Critical evaluation of the potential energy surface of the CH3 + HO2reaction system
Authors: Faragó E. P. , Szőri M. , Owen M. C. , Fittschen C. , Viskolcz B.
Published: February 2015

The CH3 + HO2 reaction system was studied theoretically by a newly developed, HEAT345-(Q) method based CHEAT1 protocol and includes the combined singlet and triplet potential energy surfaces. The main simplification is based on the CCSDT(Q)/cc-pVDZ calculation which is computationally inexpensive. Despite the economic and black-box treatment of higher excitations, the results are within 0.6 kcal/mol of the highly accurate literature values. Furthermore, the CHEAT1 surpassed the popular standard composite methods such as CBS-4M, CBS-QB3, CBS-APNO, G2, G3, G3MP2B3, G4, W1U, and W1BD mainly due to their poor performance in characterizing transition states (TS). For TS structures, various standard DFT and MP2 method have also been tested against the resulting CCSD/cc-pVTZ geometry of our protocol. A fairly good agreement was only found in the cases of the B2PLYP and BHandHLYP functionals, which were able to reproduce the structures of all TS studied within a maximum absolute deviation of 7%. The complex reaction mechanism was extended by three new low lying reaction channels. These are indirect water elimination from CH3OOH resulted formaldehyde, H2 elimination yielded methylene peroxide, and methanol and reactive triplet oxygen were formed via H-shift in the third channel. CHEAT1 protocol based on HEAT345-(Q) method is a robust, general, and cheap alternative for high accurate kinetic calculations.