bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultra-strong and damage tolerant metallic bulk materials: A lesson from nanostructured pearlitic steel wires
Authors: Hohenwarter A. , Völker B. , Kapp M. W. , Li Y. , Goto S. , Raabe D. , Pippan R.
Published: September 2016

Structural materials used for safety critical applications require high strength and simultaneously high resistance against crack growth, referred to as damage tolerance. However, the two properties typically exclude each other and research efforts towards ever stronger materials are hampered by drastic loss of fracture resistance. Therefore, future development of novel ultra-strong bulk materials requires a fundamental understanding of the toughness determining mechanisms. As model material we use today’s strongest metallic bulk material, namely, a nanostructured pearlitic steel wire, and measured the fracture toughness on micron-sized specimens in different crack growth directions and found an unexpected strong anisotropy in the fracture resistance. Along the wire axis the material reveals ultra-high strength combined with so far unprecedented damage tolerance. We attribute this excellent property combination to the anisotropy in the fracture toughness inducing a high propensity for micro-crack formation parallel to the wire axis. This effect causes a local crack tip stress relaxation and enables the high fracture toughness without being detrimental to the material’s strength.
The Use of a Novel NanoLuc -Based Reporter Phage for the Detection of Escherichia coli O157:H7
Authors: Zhang Dandan , Coronel-Aguilera Claudia P. , Romero Patricia L. , Perry Lynda , Minocha Udit , Rosenfield Carla , Gehring Andrew G. , Paoli George C. , Bhunia Arun K. , Applegate Bruce
Published: September 2016

Rapid detection of the foodborne pathogen Escherichia coli O157:H7 is of vital importance for public health worldwide. Among detection methods, reporter phages represent unique and sensitive tools for the detection of E. coli O157:H7 from food as they are host-specific and able to differentiate live cells from dead ones. Upon infection, target bacteria become identifiable since reporter genes are expressed from the engineered phage genome. The E. coli O157:H7 bacteriophage ΦV10 was modified to express NanoLuc luciferase (Nluc) derived from the deep-sea shrimp Oplophorus gracilirostris. Once infected by the ΦV10 reporter phage, E. coli O157:H7 produces a strong bioluminescent signal upon addition of commercial luciferin (Nano-Glo®). Enrichment assays using E. coli O157:H7 grown in LB broth with a reporter phage concentration of 1.76 × 102 pfu ml−1 are capable of detecting approximately 5 CFU in 7 hours. Comparable detection was achieved within 9 hours using 9.23 × 103 pfu ml−1 of phage in selective culture enrichments of ground beef as a representative food matrix. Therefore we conclude that this NanoLuc reporter phage assay shows promise for detection of E. coli O157:H7 from food in a simple, fast and sensitive manner.
Mitochondrial dysfunction is an important cause of neurological deficits in an inflammatory model of multiple sclerosis
Authors: Sadeghian Mona , Mastrolia Vincenzo , Rezaei Haddad Ali , Mosley Angelina , Mullali Gizem , Schiza Dimitra , Sajic Marija , Hargreaves Iain , Heales Simon , Duchen Michael R. , Smith Kenneth J.
Published: September 2016

Neuroinflammation can cause major neurological dysfunction, without demyelination, in both multiple sclerosis (MS) and a mouse model of the disease (experimental autoimmune encephalomyelitis; EAE), but the mechanisms remain obscure. Confocal in vivo imaging of the mouse EAE spinal cord reveals that impaired neurological function correlates with the depolarisation of both the axonal mitochondria and the axons themselves. Indeed, the depolarisation parallels the expression of neurological deficit at the onset of disease, and during relapse, improving during remission in conjunction with the deficit. Mitochondrial dysfunction, fragmentation and impaired trafficking were most severe in regions of extravasated perivascular inflammatory cells. The dysfunction at disease onset was accompanied by increased expression of the rate-limiting glycolytic enzyme phosphofructokinase-2 in activated astrocytes, and by selective reduction in spinal mitochondrial complex I activity. The metabolic changes preceded any demyelination or axonal degeneration. We conclude that mitochondrial dysfunction is a major cause of reversible neurological deficits in neuroinflammatory disease, such as MS.
Mechanistic Modelling of DNA Repair and Cellular Survival Following Radiation-Induced DNA Damage
Authors: McMahon Stephen J. , Schuemann Jan , Paganetti Harald , Prise Kevin M.
Published: September 2016

Characterising and predicting the effects of ionising radiation on cells remains challenging, with the lack of robust models of the underlying mechanism of radiation responses providing a significant limitation to the development of personalised radiotherapy. In this paper we present a mechanistic model of cellular response to radiation that incorporates the kinetics of different DNA repair processes, the spatial distribution of double strand breaks and the resulting probability and severity of misrepair. This model enables predictions to be made of a range of key biological endpoints (DNA repair kinetics, chromosome aberration and mutation formation, survival) across a range of cell types based on a set of 11 mechanistic fitting parameters that are common across all cells. Applying this model to cellular survival showed its capacity to stratify the radiosensitivity of cells based on aspects of their phenotype and experimental conditions such as cell cycle phase and plating delay (correlation between modelled and observed Mean Inactivation Doses R2 > 0.9). By explicitly incorporating underlying mechanistic factors, this model can integrate knowledge from a wide range of biological studies to provide robust predictions and may act as a foundation for future calculations of individualised radiosensitivity.
Mesoporous Non-stacked Graphene-receptor Sensor for Detecting Nerve Agents
Authors: Hwang Hee Min , Hwang Eunhee , Kim Doyoung , Lee Hyoyoung
Published: September 2016

A novel gas sensor consisting of porous, non-stacked reduced graphene oxide (NSrGO)-heaxfluorohydoroxypropanyl benzene (HFHPB) nanosheets was successfully fabricated, allowing the detection of dimethyl methyl phosphonate (DMMP), similar to sarin toxic gas. The HFHPB group was chemically grafted to the NSrGO via a diazotization reaction to produce NSrGO-HFHPB. The NSrGO-HFHPB 3D film has a mesoporous structure with a large pore volume and high surface area that can sensitively detect DMMP and concurrently selectively signal the DMMP through the chemically-attached HFHPB. The DMMP uptake of the mesoporous NSrGO-HFHPB was 240.03 Hz, 12 times greater than that of rGO-HFHPB (20.14 Hz). In addition, the response rate of NSrGO-HFHPB was faster than that of rGO-HFHPB, an approximately 3 times more rapid recovery due to the mesoporous structure of the NSrGO-HFHPB. The NSrGO-HFHPB sensor exhibited long-term stability due to the use of robust carbon and resulting high resistance to humidity.
Folding to Curved Surfaces: A Generalized Design Method and Mechanics of Origami-based Cylindrical Structures
Authors: Wang Fei , Gong Haoran , Chen Xi , Chen C. Q.
Published: September 2016

Origami structures enrich the field of mechanical metamaterials with the ability to convert morphologically and systematically between two-dimensional (2D) thin sheets and three-dimensional (3D) spatial structures. In this study, an in-plane design method is proposed to approximate curved surfaces of interest with generalized Miura-ori units. Using this method, two combination types of crease lines are unified in one reprogrammable procedure, generating multiple types of cylindrical structures. Structural completeness conditions of the finite-thickness counterparts to the two types are also proposed. As an example of the design method, the kinematics and elastic properties of an origami-based circular cylindrical shell are analysed. The concept of Poisson’s ratio is extended to the cylindrical structures, demonstrating their auxetic property. An analytical model of rigid plates linked by elastic hinges, consistent with numerical simulations, is employed to describe the mechanical response of the structures. Under particular load patterns, the circular shells display novel mechanical behaviour such as snap-through and limiting folding positions. By analysing the geometry and mechanics of the origami structures, we extend the design space of mechanical metamaterials and provide a basis for their practical applications in science and engineering.
Virulence Differences among Melissococcus plutonius Strains with Different Genetic Backgrounds in Apis mellifera Larvae under an Improved Experimental Condition
Authors: Nakamura Keiko , Yamazaki Yuko , Shiraishi Akiyo , Kobayashi Sota , Harada Mariko , Yoshiyama Mikio , Osaki Makoto , Okura Masatoshi , Takamatsu Daisuke
Published: September 2016

European foulbrood (EFB) caused by Melissococcus plutonius is an important bacterial disease of honeybee larvae. M. plutonius strains can be grouped into three genetically distinct groups (CC3, CC12 and CC13). Because EFB could not be reproduced in artificially reared honeybee larvae by fastidious strains of CC3 and CC13 previously, we investigated a method to improve experimental conditions using a CC3 strain and found that infection with a potassium-rich diet enhanced proliferation of the fastidious strain in larvae at the early stage of infection, leading to the appearance of clear clinical symptoms. Further comparison of M. plutonius virulence under the conditions revealed that the representative strain of CC12 was extremely virulent and killed all tested bees before pupation, whereas the CC3 strain was less virulent than the CC12 strain, and a part of the infected larvae pupated. In contrast, the tested CC13 strain was avirulent, and as with the non-infected control group, most of the infected brood became adult bees, suggesting differences in the insect-level virulence among M. plutonius strains with different genetic backgrounds. These strains and the improved experimental infection method to evaluate their virulence will be useful tools for further elucidation of the pathogenic mechanisms of EFB.
Acetazolamide Mitigates Astrocyte Cellular Edema Following Mild Traumatic Brain Injury
Authors: Sturdivant Nasya M. , Smith Sean G. , Ali Syed F. , Wolchok Jeffrey C. , Balachandran Kartik
Published: September 2016

Non-penetrating or mild traumatic brain injury (mTBI) is commonly experienced in accidents, the battlefield and in full-contact sports. Astrocyte cellular edema is one of the major factors that leads to high morbidity post-mTBI. Various studies have reported an upregulation of aquaporin-4 (AQP4), a water channel protein, following brain injury. AZA is an antiepileptic drug that has been shown to inhibit AQP4 expression and in this study we investigate the drug as a therapeutic to mitigate the extent of mTBI induced cellular edema. We hypothesized that mTBI-mediated astrocyte dysfunction, initiated by increased intracellular volume, could be reduced when treated with AZA. We tested our hypothesis in a three-dimensional in vitro astrocyte model of mTBI. Samples were subject to no stretch (control) or one high-speed stretch (mTBI) injury. AQP4 expression was significantly increased 24 hours after mTBI. mTBI resulted in a significant increase in the cell swelling within 30 min of mTBI, which was significantly reduced in the presence of AZA. Cell death and expression of S100B was significantly reduced when AZA was added shortly before mTBI stretch. Overall, our data point to occurrence of astrocyte swelling immediately following mTBI, and AZA as a promising treatment to mitigate downstream cellular mortality.
The impact of the HbA1c level of type 2 diabetics on the structure of haemoglobin
Authors: Ye Shaoying , Ruan Ping , Yong Junguang , Shen Hongtao , Liao Zhihong , Dong Xiaolei
Published: September 2016

This study explores the impact of HbA1c levels on the structure of haemoglobin (Hb) in patients with type 2 diabetes. Seventy-four diabetic patients were classified into the following two groups based on their level of HbA1c: group A, patients with good glycaemic control (HbA1c < 7.0%, n = 36); group B, patients with persistent hyperglycaemia (HbA1c ≥ 9.0%, n = 38). Thirty-four healthy people served as controls (group H). Hb structure was examined by Fourier transform infrared spectroscopy (FTIR), and diabetic erythrocytes were modelled to estimate the impact of glucose on these cells and Hb. Increasing glucose concentrations altered both erythrocyte parameters and the Hb secondary structure. Group B differed significantly from group H (p < 0.05): in the former, the ordered Hb secondary structure had a strong tendency to transform into a disordered secondary structure, decreasing structural stability. We presumed here that high HbA1c levels might be a factor contributing to Hb structural modifications in diabetic patients. FTIR spectral analysis can provide a novel way to investigate the pathogenesis of type 2 diabetes mellitus.
Enhanced Amplification and Fan-Out Operation in an All-Magnetic Transistor
Authors: Barman Saswati , Saha Susmita , Mondal Sucheta , Kumar Dheeraj , Barman Anjan
Published: September 2016

Development of all-magnetic transistor with favorable properties is an important step towards a new paradigm of all-magnetic computation. Recently, we showed such possibility in a Magnetic Vortex Transistor (MVT). Here, we demonstrate enhanced amplification in MVT achieved by introducing geometrical asymmetry in a three vortex sequence. The resulting asymmetry in core to core distance in the three vortex sequence led to enhanced amplification of the MVT output. A cascade of antivortices travelling in different trajectories including a nearly elliptical trajectory through the dynamic stray field is found to be responsible for this amplification. This asymmetric vortex transistor is further used for a successful fan-out operation, which gives large and nearly equal gains in two output branches. This large amplification in magnetic vortex gyration in magnetic vortex transistor is proposed to be maintained for a network of vortex transistor. The above observations promote the magnetic vortex transistors to be used in complex circuits and logic operations.
Role of anterior piriform cortex in the acquisition of conditioned flavour preference
Authors: Mediavilla Cristina , Martin-Signes Mar , Risco Severiano
Published: September 2016

Flavour aversion learning (FAL) and conditioned flavour preference (CFP) facilitate animal survival and play a major role in food selection, but the neurobiological mechanisms involved are not completely understood. Neuroanatomical bases of CFP were examined by using Fos immunohistochemistry to record neuronal activity. Rats were trained over eight alternating one-bottle sessions to acquire a CFP induced by pairing a flavour with saccharin (grape was CS+ in Group 1; cherry in Group 2; in Group 3, grape/cherry in half of animals; Group 4, grape/cherry in water). Animals were offered the grape flavour on the day immediately after the training and their brains were processed for c-Fos. Neurons evidencing Fos-like immunoreactivity were counted in the infralimbic cortex, nucleus accumbens core, and anterior piriform cortex (aPC). Analysis showed a significantly larger number of activated cells after learning in the aPC alone, suggesting that the learning process might have produced a change in this cortical region. Ibotenic lesions in the aPC blocked flavour-taste preference but did not interrupt flavour-toxin FAL by LiCl. These data suggest that aPC cells may be involved in the formation of flavour preferences and that the integrity of this region may be specifically necessary for the acquisition of a CFP.
Future climate stimulates population out-breaks by relaxing constraints on reproduction
Authors: Heldt Katherine A. , Connell Sean D. , Anderson Kathryn , Russell Bayden D. , Munguia Pablo
Published: September 2016

When conditions are stressful, reproduction and population growth are reduced, but when favourable, reproduction and population size can boom. Theory suggests climate change is an increasingly stressful environment, predicting extinctions or decreased abundances. However, if favourable conditions align, such as an increase in resources or release from competition and predation, future climate can fuel population growth. Tests of such population growth models and the mechanisms by which they are enabled are rare. We tested whether intergenerational increases in population size might be facilitated by adjustments in reproductive success to favourable environmental conditions in a large-scale mesocosm experiment. Herbivorous amphipod populations responded to future climate by increasing 20 fold, suggesting that future climate might relax environmental constraints on fecundity. We then assessed whether future climate reduces variation in mating success, boosting population fecundity and size. The proportion of gravid females doubled, and variance in phenotypic variation of male secondary sexual characters (i.e. gnathopods) was significantly reduced. While future climate can enhance individual growth and survival, it may also reduce constraints on mechanisms of reproduction such that enhanced intra-generational productivity and reproductive success transfers to subsequent generations. Where both intra and intergenerational production is enhanced, population sizes might boom.
Redox/methylation mediated abnormal DNA methylation as regulators of ambient fine particulate matter-induced neurodevelopment related impairment in human neuronal cells
Authors: Wei Hongying , Liang Fan , Meng Ge , Nie Zhiqing , Zhou Ren , Cheng Wei , Wu Xiaomeng , Feng Yan , Wang Yan
Published: September 2016

Fine particulate matter (PM2.5) has been implicated as a risk factor for neurodevelopmental disorders including autism in children. However, the underlying biological mechanism remains unclear. DNA methylation is suggested to be a fundamental mechanism for the neuronal responses to environmental cues. We prepared whole particle of PM2.5 (PM2.5), water-soluble extracts (Pw), organic extracts (Po) and carbon core component (Pc) and characterized their chemical constitutes. We found that PM2.5 induced significant redox imbalance, decreased the levels of intercellular methyl donor S-adenosylmethionine and caused global DNA hypomethylation. Furthermore, PM2.5 exposure triggered gene-specific promoter DNA hypo- or hypermethylation and abnormal mRNA expression of autism candidate genes. PM2.5-induced DNA hypermethylation in promoter regions of synapse related genes were associated with the decreases in their mRNA and protein expression. The inhibiting effects of antioxidative reagents, a methylation-supporting agent and a DNA methyltransferase inhibitor demonstrated the involvement of redox/methylation mechanism in PM2.5-induced abnormal DNA methylation patterns and synaptic protein expression. The biological effects above generally followed a sequence of PM2.5 ≥ Pwo > Po > Pw > Pc. Our results implicated a novel epigenetic mechanism for the neurodevelopmental toxicity of particulate air pollution, and that eliminating the chemical components could mitigate the neurotoxicity of PM2.5.
Flash (Ultra-Rapid) Spark-Plasma Sintering of Silicon Carbide
Authors: Olevsky Eugene A. , Rolfing Stephen M. , Maximenko Andrey L.
Published: September 2016

A new ultra-rapid process of flash spark plasma sintering is developed. The idea of flash spark plasma sintering (or flash hot pressing - FHP) stems from the conducted theoretical analysis of the role of thermal runaway phenomena for material processing by flash sintering. The major purpose of the present study is to theoretically analyze the thermal runaway nature of flash sintering and to experimentally address the challenge of uncontrollable thermal conditions by the stabilization of the flash sintering process through the application of the external pressure. The effectiveness of the developed FHP technique is demonstrated by the few seconds–long consolidation of SiC powder in an industrial spark plasma sintering device. Specially designed sacrificial dies heat the pre-compacted SiC powder specimens to a critical temperature before applying any voltage to the powder volume and allowing the electrode-punches of the SPS device setup to contact the specimens and pass electric current through them under elevated temperatures. The experimental results demonstrate that flash sintering phenomena can be realized using conventional SPS devices. The usage of hybrid heating SPS devices is pointed out as the mainstream direction for the future studies and utilization of the new flash hot pressing (ultra-rapid spark plasma sintering) technique.
A Rapid and Efficient Luminescence-based Method for Assaying Phosphoglycosyltransferase Enzymes
Authors: Das Debasis , Walvoort Marthe. T. C. , Lukose Vinita , Imperiali Barbara
Published: September 2016

Phosphoglycosyltransferases (PGTs) are families of integral membrane proteins with intriguingly diverse architectures. These enzymes function to initiate many important biosynthetic pathways including those leading to peptidoglycan, N-linked glycoproteins and lipopolysaccharide O-antigen. In spite of tremendous efforts, characterization of these enzymes remains a challenge not only due to the inherent difficulties associated with the purification of integral membrane proteins but also due to the limited availability of convenient assays. Current PGT assays include radioactivity-based methods, which rely on liquid-liquid or solid-liquid extractions, multienzyme systems linked to lactate dehydrogenase and NAD+ generation, and HPLC-based approaches, all of which may suffer from low sensitivity and low throughput. Herein, we present the validation of a new luminescence-based assay (UMP-Glo) for measuring activities of PGT enzymes. This assay measures UMP, the by-product of PGT reactions, in a sensitive and quantitative manner by measuring the luminescence output in a discontinuous coupled assay system. The assay is rapid and robust in nature, and also compatible with microtiter plate formats. Activity and kinetic parameters of PglC, a PGT from Campylobacter jejuni, were quickly established using this assay. The efficacy of the assay was further corroborated using two different PGTs; PglC from Helicobacter pullorum and WecA from Thermatoga maritima.
The PCP pathway regulates Baz planar distribution in epithelial cells
Authors: Aigouy Benoit , Le Bivic André
Published: September 2016

The localisation of apico-basal polarity proteins along the Z-axis of epithelial cells is well understood while their distribution in the plane of the epithelium is poorly characterised. Here we provide a systematic description of the planar localisation of apico-basal polarity proteins in the Drosophila ommatidial epithelium. We show that the adherens junction proteins Shotgun and Armadillo, as well as the baso-lateral complexes, are bilateral, i.e. present on both sides of cell interfaces. In contrast, we report that other key adherens junction proteins, Bazooka and the myosin regulatory light chain (Spaghetti squash) are unilateral, i.e. present on one side of cell interfaces. Furthermore, we demonstrate that planar cell polarity (PCP) and not the apical determinants Crumbs and Par-6 control Bazooka unilaterality in cone cells. Altogether, our work unravels an unexpected organisation and combination of apico-basal, cytoskeletal and planar polarity proteins that is different on either side of cell-cell interfaces and unique for the different contacts of the same cell.
Online coupling techniques in ambient mass spectrometry
Authors: Xu Shuting , Zhang Yiding , Xu Linnan , Bai Yu , Liu Huwei
Published: September 2016

Since ambient mass spectrometry (AMS) has been proven to have low matrix effects and high salt tolerance, great efforts have been made for online coupling of several analytical techniques with AMS.
Highly sensitive colorimetric detection of copper ions based on regulating the peroxidase-like activity of Au@Pt nanohybrids
Authors: Pan Na , Zhu Yan , Wu Liang-Liang , Xie Zheng-Jun , Xue Feng , Peng Chi-Fang
Published: September 2016

In this study, a sensitive colorimetric method for the detection of copper ions (Cu2+) was proposed based on regulating the peroxidase-like activity of Au@Pt nanohybrids (Au@PtNHs).
An alcohol-soluble and ion-free electron transporting material functionalized with phosphonate groups for solution-processed multilayer PLEDs
Authors: Chen Bo , Zhao Lei , Ding Junqiao , Wang Lixiang , Jing Xiabin , Wang Fosong
Published: September 2016

An alcohol-soluble and ion-free small molecule (TPPO) functionalized with phosphonate groups has been developed as the electron transporting material for solution-processed multilayer PLEDs.
Dioxygen-induced oxidative activation of a P–H bond: radical oxyphosphorylation of alkenes and alkynes toward β-oxy phosphonates
Authors: Peng Pan , Lu Qingquan , Peng Long , Liu Chao , Wang Guangyu , Lei Aiwen
Published: September 2016

The dioxygen-induced radical oxyphosphorylation of alkenes and alkynes is presented, wherein a P–H bond was activated by molecular oxygen.
Catalytic reduction of amides to amines by electrophilic phosphonium cations via FLP hydrosilylation
Authors: Augurusa Alessandra , Mehta Meera , Perez Manuel , Zhu Jiangtao , Stephan Douglas W.
Published: September 2016

A catalytic methodology for the conversion of amides to amines is reported. Among the 25 examples, 14 reduce N-trifluoroacetamides to give trifluoroethylamines.
One-step assembly of a hierarchically porous phenolic resin-type polymer with high stability for CO2 capture and conversion
Authors: Ding Meili , Jiang Hai-Long
Published: September 2016

A hierarchically porous phenolic resin-type polymer with high stability has been rationally synthesized, which behaves as an excellent adsorbent and catalyst for CO2 capture and conversion.
Mechanistical investigation on the self-enhanced photocatalytic activity of CuO/Cu2O hybrid nanostructures by density functional theory calculations
Authors: Diao Feiyu , Tian FengHui , Liang Wenshuang , Feng Honglei , Wang Yiqian
Published: September 2016

The photocatalytic mechanism of a Cu2O/CuO hybrid system is investigated by density functional theory calculations.
Wetting behavior of water on silicon carbide polar surfaces
Authors: Zhong W. W. , Huang Y. F. , Gan D. , Xu J. Y. , Li H. , Wang G. , Meng S. , Chen X. L.
Published: September 2016

Technically important wide band-gap semiconductors such as GaN, AlN, ZnO and SiC are crystallized in polar structures.
L2,3-edges absorption spectra of a 2D complex system: a theoretical modelling
Authors: Carlotto S. , Sambi M. , Sedona F. , Vittadini A. , Bartolomé J. , Bartolomé F. , Casarin M.
Published: September 2016

Ground state theoretical outcomes pertaining to FePc (I) and FePc(η2-O2) (II) provide an intimate understanding of the electron transfer pathway ruling the catalytic oxygen reduction reaction of I on Ag(110).
Growth patterns and structural motifs of cadmium clusters with up to 60 atoms: disordered or not?
Authors: Kohaut Stephan , Springborg Michael
Published: September 2016

A new growth pattern in small to medium-sized cadmium clusters based on the Leary tetrahedron is predicted.
Distinctive electron transport on pyridine-linked molecular junctions with narrow monolayer graphene nanoribbon electrodes compared with metal electrodes and graphene electrodes
Authors: Li Jie , Li Tao , Zhou Yi , Wu Weikang , Zhang Leining , Li Hui
Published: September 2016

The electrodes in the molecular devices are essential for creating functional organic electronic devices.
Aggregates of quadrupolar dyes for two-photon absorption: the role of intermolecular interactions
Authors: Sanyal S. , Painelli A. , Pati S. K. , Terenziani F. , Sissa C.
Published: September 2016

Essential-state models, validated against TD-DFT, rationalize the ultra-excitonic effects observed in the experimental spectra of aggregates of polarizable quadrupolar dyes.
Direct observation of ice nucleation events on individual atmospheric particles
Authors: Wang Bingbing , Knopf Daniel A. , China Swarup , Arey Bruce W. , Harder Tristan H. , Gilles Mary K. , Laskin Alexander
Published: September 2016

Nanometer scale imaging of kaolinite particles shows that ice nucleation initiates preferentially at edges of stacked planes and not on basal planes.
Control of calcium accessibility over hydroxyapatite by post-precipitation steps: influence on the catalytic reactivity toward alcohols
Authors: Ben Osman Manel , Diallo Garcia Sarah , Krafft Jean-Marc , Methivier Christophe , Blanchard Juliette , Yoshioka Tetsuya , Kubo Jun , Costentin Guylène
Published: September 2016

Hydroxyapatites exhibit Ca2+and POH surface acid sites, which relative accessibilities can be varied by synthesis to tune the catalytic reactivity toward alcohols.
Quantum molecular motion in the mixed ion-radical complex, [(H2O)(H2S)]+
Authors: Floris S. D. , Talbot J. J. , Wilkinson M. J. , Herr J. D. , Steele R. P.
Published: September 2016

The cation dimer of water and hydrogen sulfide, [(H2O)(H2S)]+, serves as a fundamental model for the oxidation chemistry of H2S.
The explicit examination of the magnetic states of electrides
Authors: Dale Stephen G. , Johnson Erin R.
Published: September 2016

Electrides are a unique class of ionic solids in which the anions are stoichiometrically replaced by electrons localised within the crystal voids. We present the first all electron magnetic state calculations for electrides and show the magnetic properties of these materials come from the localised electrons.
Zeolitic imidazolate framework (ZIF-8) derived nanoporous carbon: the effect of carbonization temperature on the supercapacitor performance in an aqueous electrolyte
Authors: Young Christine , Salunkhe Rahul R. , Tang Jing , Hu Chi-Chang , Shahabuddin Mohammed , Yanmaz Ekrem , Hossain Md. Shahriar A. , Kim Jung Ho , Yamauchi Yusuke
Published: September 2016

Nanoporous carbons prepared at various carbonization temperatures are tested using an aqueous electrolyte for supercapacitor applications.
Viscometry of single nanoliter-volume droplets using dynamic force spectroscopy
Authors: Lee Manhee , Kim Bongsu , Kim QHwan , Hwang JongGeun , An Sangmin , Jhe Wonho
Published: September 2016

We present an atomic force microscope-based platform for viscometry of ‘nanoliter' volume fluids.
Catalysis of solar hydrogen production by iron atoms on the surface of Fe-doped silicon carbide
Authors: Wang Zhijiang , Armstrong Fraser A.
Published: September 2016

Fe atoms located on the hydrated surface of SiC provide a 100-fold enhancement in the rate of photodriven H2 evolution.
Activation of aldehydes by exocyclic iridium(i)-η4:π2-diene complexes derived from 1,3-oxazolidin-2-ones
Authors: Padilla Rosa , Salazar-Pereda Verónica , Mendoza-Espinosa Daniel , Vásquez-Pérez José M. , Andrade-López Noemí , Tamariz Joaquín , Alvarado-Rodríguez José G. , Cruz-Borbolla Julián
Published: September 2016

Coupling of the exocyclic diene-[Ir] complexes 2 with several aromatic aldehydes leads to the bicyclic derivatives 4 and a novel series of bicyclic Fischer-type carbenes 5.
Stoichiometry-controlled structural and functional variation in two photochromic iodoargentates with a fast and wide range response
Authors: Yu Tan-Lai , Hao Peng-Fei , Shen Jun-Ju , Li Hui-Hui , Fu Yun-Long
Published: September 2016

Two MCMP+/iodoargentate hybrids have been synthesized and they exhibit rare electron transfer photochromsim with a fast response rate, a wide response range and a long-lived charge-separated state, which is largely ascribed to the flexible aggregation of electron-deficient MCMP+ counterions.
The potential for microfluidics in electrochemical energy systems
Authors: Modestino M. A. , Fernandez Rivas D. , Hashemi S. M. H. , Gardeniers J. G. E. , Psaltis D.
Published: September 2016

Energy storage technologies based on microfluidic electrochemical devices show optimal conversion efficiencies, and have potential to reach large-scale applications.
Self-sustained high-rate anammox: from biological to bioelectrochemical processes
Authors: Li Yan , Xu Zhiheng , Cai Dingyi , Holland Brandon , Li Baikun
Published: September 2016

The slow growth rate of anammox bacteria is a pressing problem for system efficiency and stability.
Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source
Authors: Chen Lin X. , Shelby Megan L. , Lestrange Patrick J. , Jackson Nicholas E. , Haldrup Kristoffer , Mara Michael W. , Stickrath Andrew B. , Zhu Diling , Lemke Henrik , Chollet Matthieu , Hoffman Brian M. , Li Xiaosong
Published: September 2016

This report will describe our recent studies of transition metal complex structural dynamics on the fs and ps time scales using an X-ray free electron laser source, Linac Coherent Light Source (LCLS). Ultrafast XANES spectra at the Ni K-edge of nickel(ii) tetramesitylporphyrin (NiTMP) were measured for optically excited states at a timescale from 100 fs to 50 ps, providing insight into its sub-ps electronic and structural relaxation processes. Importantly, a transient reduced state Ni(i) (π, 3dx2−y2) electronic state is captured through the interpretation of a short-lived excited state absorption on the low-energy shoulder of the edge, which is aided by the computation of X-ray transitions for postulated excited electronic states. The observed and computed inner shell to valence orbital transition energies demonstrate and quantify the influence of the electronic configuration on specific metal orbital energies. A strong influence of the valence orbital occupation on the inner shell orbital energies indicates that one should not use the transition energy from 1s to other orbitals to draw conclusions about the d-orbital energies. For photocatalysis, a transient electronic configuration could influence d-orbital energies up to a few eV and any attempt to steer the reaction pathway should account for this to ensure that external energies can be used optimally in driving desirable processes. NiTMP structural evolution and the influence of the porphyrin macrocycle conformation on relaxation kinetics can be likewise inferred from this study.
SPIRE, a modular pipeline for eQTL analysis of RNA-Seq data, reveals a regulatory hotspot controlling miRNA expression in C. elegans
Authors: Kel Ivan , Chang Zisong , Galluccio Nadia , Romeo Margherita , Beretta Stefano , Diomede Luisa , Mezzelani Alessandra , Milanesi Luciano , Dieterich Christoph , Merelli Ivan
Published: September 2016

SPIRE integrates different univariate and multivariate approaches for eQTL analysis, paying particular attention to the scalability of the procedure in order to supportcis- as well astrans-mapping, thus allowing the identification of hotspots in NGS data.
Linker dependent chirality of solvent induced self-assembled structures of porphyrin–α-helical peptide conjugates
Authors: Biscaglia Francesca , Frezza Elisa , Zurlo Enrico , Gobbo Marina
Published: September 2016

The chirality and morphology of supramolecular porphyrin–peptide aggregates can be tuned by switching the configuration of the linker between the porphyrin and the α-helical peptide.
Carbocation–π interaction: evaluation of the stabilization by phenylalanine of a biochemical carbocation intermediate
Authors: Ditchfield Robert , Spencer Thomas A.
Published: September 2016

Computational analyses, using primarily density functional theory, have been used to determine the stabilization associated with the carbocation–π interaction of a biochemical carbocation intermediate binding to a phenylalanine residue in an enzyme active site.
New synthetic approaches towards analogues of bedaquiline
Authors: Priebbenow Daniel L. , Barbaro Lisa , Baell Jonathan B.
Published: September 2016

New synthetic pathways for the preparation of bedaquiline analogues were developed to access improved pharmaceutical agents for treatment of MDR-TB.
A novel biodegradable polyurethane based on poly(3-hydroxybutyrate-co-3-hydroxyvalerate) and poly(ethylene glycol) as promising biomaterials with the improvement of mechanical properties and hemocompatibility
Authors: Wang Cai , Zheng Yudong , Sun Yi , Fan Jinsheng , Qin Qiujing , Zhao Zhenjiang
Published: September 2016

A novel biodegradable PHBV-based polyurethane was designed and synthesized by using PHBV, MDI and PEG.
Thiolactone-maleimide: a functional monomer to synthesize fluorescent aliphatic poly(amide-imide) with excellent solubility via in situ PEGylation
Authors: Yan Junjie , Wang Rongrong , Pan Donghui , Yang Runlin , Xu Yuping , Wang Lizhen , Yang Min
Published: September 2016

Combining aminolysis of thiolactones and amine-maleimide Michael addition contributed to the synthesis of fluorescent aliphatic poly(amide-imide)s, accomplishing excellent solubility via in situ PEGylation.
Impact of a minority enantiomer on the polymerization of alanine-based isocyanides with an oligothiophene pendant
Authors: Ikai Tomoyuki , Wada Yuya , Takagi Yugaku , Shinohara Ken-ichi
Published: September 2016

A synthetic polymer requiring a long-range homochiral sequence (>50 repeating units) to fold into a helical conformation has been prepared.
Nitration of arenes by 1-sulfopyridinium nitrate as an ionic liquid and reagent by in situ generation of NO2
Authors: Moosavi-Zare Ahmad Reza , Zolfigol Mohammad Ali , Zarei Mahmoud , Noroozizadeh Ehsan , Beyzavi M. Hassan
Published: September 2016

1-Sulfopyridinium nitrate was synthesized as a potent nitrating agent for the nitration of arenes without the need for any co-catalysts.
Biofriendly ionic liquids for starch plasticization: a screening approach
Authors: Colomines G. , Decaen P. , Lourdin D. , Leroy E.
Published: September 2016

Easy and fast synthetic routes for the screening of cholinium bio ionic liquid structures for the plasticization of starch.
Nitrogen- and oxygen-containing micro–mesoporous carbon microspheres derived from m-aminophenol formaldehyde resin for supercapacitors with high rate performance
Authors: Liu Siping , Chen Xiujuan , Li Xiaoli , Huo Pengfei , Wang Yiqun , Bai Long , Zhang Wen , Niu Maocheng , Li Zhiguo
Published: September 2016

Nitrogen- and oxygen-containing micro–mesoporous carbon microspheres derived from m-aminophenol formaldehyde resin were prepared by the hydrothermal synthesis/carbonization/activation route for high-rate performance supercapacitor application.
4-Dimethylaminopyridine-catalyzed dynamic kinetic resolution in asymmetric synthesis of P-chirogenic 1,3,2-oxazaphospholidine-2-oxides
Authors: Wang Lanlan , Cao Shanshan , Du Zhijun , Wu Qiang , Bian Zheng , Kang Chuanqing , Gao Lianxun , Zhang Jingping
Published: September 2016

Excellent diastereoselectivity was achieved in DMAP-catalyzed P–N bonding in the synthesis of P-chirogenic organophosphines through dynamic kinetic resolution.
C54Si6 heterofullerene as a potential gas sensor for CO, NO, and HCN detection
Authors: Yong Yongliang , Lv Shijie , Zhang Ruizhou , Zhou Qingxiao , Su Xiangying , Li Tongwei , Cui Hongling
Published: September 2016

The C54Si6 heterofullerene can be expected to be an excellent gas sensor for CO, NO, and HCN detection.
Facile synthesis and enhanced visible-light photoactivity of a g-C3N4/mullite composite
Authors: Li Chunquan , Sun Zhiming , Liu Lixin , Huang Weixin , Zheng Shuilin
Published: September 2016

The g-C3N4/mullite photocatalyst was synthesized through a simple wetting chemical method. Strong interfacial combination and electrons transfer were key factors for the enhanced photoactivity of the composite photocatalyst.
Optimizing the efficiency of antioxidants in emulsions by lipophilization: tuning interfacial concentrations
Authors: Costa Marlene , Losada-Barreiro Sonia , Paiva-Martins Fátima , Bravo-Díaz Carlos
Published: September 2016

Antioxidant efficiencies in emulsions can be optimized by tailoring interfacial concentrations.
Carbon nano-onions: large-scale preparation, functionalization and their application as anode material for rechargeable lithium ion batteries
Authors: Zheng Yanbin , Zhu Pinwen
Published: September 2016

Carbon nano-onions (CNOs) are one of the most promising anode materials for lithium ion batteries (LIBs) because of their outstanding physicochemical properties.
Copper(i)-mediated synthesis of β-hydroxysulfones from styrenes and sulfonylhydrazides: an electrochemical mechanistic study
Authors: Terent'ev Alexander O. , Mulina Olga M. , Pirgach Dmitry A. , Demchuk Dmitry V. , Syroeshkin Mikhail A. , Nikishin Gennady I.
Published: September 2016

Copper(i) halides were used as mediators in the synthesis of β-hydroxysulfones via the oxysulfonylation of styrenes using sulfonylhydrazides.
Nickel concentration-dependent opto-electrical performances and stability of Cu@CuNi nanowire transparent conductors
Authors: Xue Jie , Song Jizhong , Zou Yousheng , Huo Chengxue , Dong Yuhui , Xu Leimeng , Li Jianhai , Zeng Haibo
Published: September 2016

Compared to monometallic counterparts, core–shell structured nanowires may possess additional performances or even new properties because of synergistic effects between two components.
Efficient and green approach for the complete deprotection of O-acetylated biomolecules
Authors: Dunne Anthony , Palomo Jose M.
Published: September 2016

This work shows the completeO-deprotection of per-acetylated molecules catalyzed byAspergillus nigerlipase (A-ANL) under very mild conditions.
Electrospun hematite nanofiber/mesoporous silica core/shell nanomaterials as an efficient adsorbent for heavy metals
Authors: Egodawatte Shani , Greenstein Katherine E. , Vance Ivy , Rivera Edris , Myung Nosang V. , Parkin Gene F. , Cwiertny David M. , Larsen Sarah C.
Published: September 2016

Functionalized nanomaterials hold tremendous promise for water treatment because their high surface area makes them ideal sorbents for pollutants like heavy metal ions that are pervasive in global water supplies.
Stereoselective innovative synthesis and biological evaluation of new real carba analogues of minimal epitope Manα(1,2)Man as DC-SIGN inhibitors
Authors: Bordoni Vittorio , Porkolab Vanessa , Sattin Sara , Thépaut Michel , Frau Ileana , Favero Lucilla , Crotti Paolo , Bernardi Anna , Fieschi Franck , Di Bussolo Valeria
Published: September 2016

Stereoselectively synthesized real 1,2 pseudomannobiosides exhibit activities as DC-SIGN inhibitors by means of an SPR technique with potential applications as antiviral agents.
Poly(ε-caprolactone)-based shape memory polymers crosslinked by polyhedral oligomeric silsesquioxane
Authors: Yang Pengfei , Zhu Guangming , Shen Xuelin , Yan Xiaogang , Nie Jing
Published: September 2016

A POSS–PCL shape memory network is synthesized. The cage-like POSS not only serves as a chemical netpoint, also causes improvement in mechanical properties. Optimized networks exhibit both excellent tensile strength and nearly complete recovery.
Copper-catalyzed one-pot oxidative amidation of alcohol to amide via C–H activation
Authors: Gu Jiajia , Fang Zheng , Yang Yuhang , Yang Zhao , Wan Li , Li Xin , Wei Ping , Guo Kai
Published: September 2016

Copper-catalyzed one-pot oxidative amidation of both aliphatic and aromatic alcohols with N-chloramines, prepared in situ from many types of primary and secondary amines, to form amides under mild conditions.
Reducing Li-diffusion pathways via “adherence” of ultra-small nanocrystals of LiFePO4 on few-layer nanoporous holey-graphene sheets for achieving high rate capability
Authors: Dutta Dipak , Santhosha A. L. , Sood A. K. , Bhattacharyya Aninda J.
Published: September 2016

A unique 3D configuration comprising ultra-small LFP particles “adhered” to few-layer reduced holey-graphene oxide sheets allows Li+-ions to traverse shorter non-tortuous pathways leading to excellent battery performance.
Effect of amine-modified boron nitride (BN) on ammonium perchlorate decomposition
Authors: Grossman Kevin D. , Sakthivel Tamil S. , Dillier Catherine , Petersen Eric L. , Seal Sudipta
Published: September 2016

Diagram of process for accelerated decomposition of ammonium perchlorate salt using amine modified BN ribbbons. Nucleophilic amine functional groups on the surface of the BN intercepts protons from cation of AP during low temperature decomposition.
Rapid separation of gold nanorods in multilayer aqueous systems via centrifugation
Authors: Yao I-Chun , Chang Chun-Wei , Ko Hao-Wen , Li Heng , Lu Tien-Chang , Chen Jiun-Tai
Published: September 2016

A rapid strategy to separate gold nanorods in multilayer aqueous system via centrifugation.
Improved third-order optical nonlinearity and optical limiting behaviour of (nanospindle and nanosphere) zinc ferrite decorated reduced graphene oxide under continuous and ultrafast laser excitation
Authors: Saravanan M. , Sabari Girisun T. C. , Vinitha G. , Venugopal Rao S.
Published: September 2016

Nanohybrids consisting of uniform nanospheres and nanospindles of zinc ferrite attached to reduced graphene oxide were prepared by hydrothermal reaction.
Supported cobalt oxide nanocrystals: morphology control and catalytic performance for styrene oxidation
Authors: Wang Zhen , Hou Xianliang , Shen Jingmei , Li Tiehu
Published: September 2016

Supported cobalt oxide catalysts with controlled size and morphologies were facilely synthesized and had high activity for styrene oxidation.
New method for in situ generation of enolate-iminium 1,4-dipoles for [4 + 2] and [4 + 1] dipolar heterocycloaddition reactions
Authors: Zhulanov Vladimir E. , Dmitriev Maksim V. , Maslivets Andrey N. , Rubin Michael
Published: September 2016

Thermolysis ofN-(diphenylenamino)pyrrolediones proceeds with formation of dihydropyrazolone 1,4-dipoles. [4 + 4] Homodimerizations and a series of [4 + 2] and [4 + 1] cycloadditions of these species with various dipolarophiles were investigated.
Preparation and performance of 0.5Li2MnO3·0.5LiNi1/3Co1/3Mn1/3O2 with a fusiform porous micro-nano structure
Authors: Wang Gang , Wang Xianyou , Yi Liling , Yu Ruizhi , Liu Meihong , Yang Xiukang
Published: September 2016

Fusiform porous micro-nano 0.5Li2MnO3·0.5LiNi1/3Co1/3Mn1/3O2 has been synthesised as a cathode material for high performance lithium ion batteries.
Bamboo-like carbon nanotubes derived from colloidal polymer nanoplates for efficient removal of bisphenol A
Authors: Wang Pei , Xiao Peiyuan , Zhong Shuxian , Chen Jianrong , Lin Hongjun , Wu Xi-Lin
Published: September 2016

Bamboo-like carbon nanotubes (b-CNTs) were synthesized and applied for the removal of bisphenol A from aqueous solutions.
Highly efficient polymer solar cells using a non-conjugated small-molecule zwitterion with enhancement of electron transfer and collection
Authors: Ai Ling , Ouyang Xinhua , Liu Zhiyang , Peng Ruixiang , Jiang Weigang , Li Wang , Zhang Lei , Hong Ling , Lei Tao , Guan Qian , Ge Ziyi
Published: September 2016

A novel non-conjugated small-molecule zwitterion is designed and easily processed as a cathode interface for effective electron transfer and collection in PSCs.
Zr4+doping-controlled permittivity and permeability of BaFe12−xZrxO19and the extraordinary EM absorption power in the millimeter wavelength frequency range
Authors: Liu Chuyang , Xu Qiankun , Tang Yu , Wang Zongrong , Ma Ruoyang , Ma Ning , Du Piyi
Published: September 2016

BaFe12−xZrxO19with Zr4+at 4f1and 2b sites exhibits an RL of ∼−40 dB and bandwidth of ∼10 GHz at ∼0.8 mm around the millimeter wavelength atmospheric window of 35 GHz.
Counterion and solvent effects on the size of magnetite nanocrystals obtained by oxidative precipitation
Authors: Luengo Y. , Morales M. P. , Gutiérrez L. , Veintemillas-Verdaguer S.
Published: September 2016

We present the effect of the counterions and the proportion of ethanol in the preparation of uniform magnetite nanocrystals by oxidative precipitation.