bluuebunny/crossref_metadata_2025 huggingface dataset:
Operational Nowcasting of Electron Flux Levels in the Outer Zone of Earth's Radiation Belt
Authors: Coleman Tim , McCollough James P. , Young Shawn , Rigler E. Joshua
Published: April 2018

We describe a lightweight, accurate nowcasting model for electron flux levels measured by the Van Allen probes. Largely motivated by Rigler et al. (, https://doi.org/10.1029/2003SW000036), we turn to a time‐varying linear filter of previous flux levels and Kp. We train and test this model on data gathered from the 2.10 MeV channel of the Relativistic Electron‐Proton Telescope sensor onboard the Van Allen probes. Dynamic linear models are a specific case of state space models and can be made flexible enough to emulate the nonlinear behavior of particle fluxes within the radiation belts. Real‐time estimation of the parameters of the model is done using a Kalman filter, where the state of the model is exactly the parameters. Nowcast performance is assessed against several baseline interpolation schemes. Our model demonstrates significant improvements in performance over persistence nowcasting. In particular, during times of high geomagnetic activity, our model is able to attain performance substantially better than a persistence model. In addition, residual analysis is conducted in order to assess model fit and to suggest future improvements to the model.
Slow Unlocking Processes Preceding the 2015 Mw 8.4 Illapel, Chile, Earthquake
Authors: Huang Hui , Meng Lingsen
Published: April 2018

On 16 September 2015, the Mw 8.4 Illapel earthquake occurred in central Chile with no intense foreshock sequences documented in the regional earthquake catalog. Here we employ the matched‐filter technique based on an enhanced template data set of previously catalogued events. We perform a continuous search over an ~4‐year period before the Illapel mainshock to recover the uncatalogued small events and repeating earthquakes. Repeating earthquakes are found both to the north and south of the mainshock rupture zone. To the south of the rupture zone, the seismicity and repeater‐inferred aseismic slip progressively accelerate around the Illapel epicenter starting from ~140 days before the mainshock. This may indicate an unlocking process involving the interplay of seismic and aseismic slip. The acceleration culminates in a M 5.3 event of low‐angle thrust mechanism, which occurred ~36 days before the Mw 8.4 mainshock. It is then followed by a relative quiescence in seismicity until the mainshock occurred. This quiescence might correspond to an intermediate period of stable slip before rupture initiation. In addition, to the north of the mainshock rupture area, the last aseismic‐slip episode occurs within ~175–95 days before the mainshock and accumulates the largest amount of slip in the observation period. The simultaneous occurrence of aseismic‐slip transients over a large area is consistent with large‐scale slow unlocking processes preceding the Illapel mainshock.
Summer Drivers of Atmospheric Variability Affecting Ice Shelf Thinning in the Amundsen Sea Embayment, West Antarctica
Authors: Deb Pranab , Orr Andrew , Bromwich David H. , Nicolas Julien P. , Turner John , Hosking J. Scott
Published: April 2018

Satellite data and a 35‐year hindcast of the Amundsen Sea Embayment summer climate using the Weather Research and Forecasting model are used to understand how regional and large‐scale atmospheric variability affects thinning of ice shelves in this sector of West Antarctica by melting from above and below (linked to intrusions of warm water caused by anomalous westerlies over the continental shelf edge). El Niño episodes are associated with an increase in surface melt but do not have a statistically significant impact on westerly winds over the continental shelf edge. The location of the Amundsen Sea Low and the polarity of the Southern Annular Mode (SAM) have negligible impact on surface melting, although a positive SAM and eastward shift of the Amundsen Sea Low cause anomalous westerlies over the continental shelf edge. The projected future increase in El Niño episodes and positive SAM could therefore increase the risk of disintegration of West Antarctic ice shelves.
Guide Field Reconnection: Exhaust Structure and Heating
Authors: Eastwood J. P. , Mistry R. , Phan T. D. , Schwartz S. J. , Ergun R. E. , Drake J. F. , Øieroset M. , Stawarz J. E. , Goldman M. V. , Haggerty C. , Shay M. A. , Burch J. L. , Gershman D. J. , Giles B. L. , Lindqvist P. A. , Torbert R. B. , Strangeway R. J. , Russell C. T.
Published: April 2018

Magnetospheric Multiscale observations are used to probe the structure and temperature profile of a guide field reconnection exhaust ~100 ion inertial lengths downstream from the X‐line in the Earth's magnetosheath. Asymmetric Hall electric and magnetic field signatures were detected, together with a density cavity confined near 1 edge of the exhaust and containing electron flow toward the X‐line. Electron holes were also detected both on the cavity edge and at the Hall magnetic field reversal. Predominantly parallel ion and electron heating was observed in the main exhaust, but within the cavity, electron cooling and enhanced parallel ion heating were found. This is explained in terms of the parallel electric field, which inhibits electron mixing within the cavity on newly reconnected field lines but accelerates ions. Consequently, guide field reconnection causes inhomogeneous changes in ion and electron temperature across the exhaust.
Simulation of the 21 August 2017 Solar Eclipse Using the Whole Atmosphere Community Climate Model‐eXtended
Authors: McInerney Joseph M. , Marsh Daniel R. , Liu Han‐Li , Solomon Stanley C. , Conley Andrew J. , Drob Douglas P.
Published: April 2018

We performed simulations of the atmosphere‐ionosphere response to the solar eclipse of 21 August 2017 using the Whole Atmosphere Community Climate Model‐eXtended (WACCM‐X v. 2.0) with a fully interactive ionosphere and thermosphere. Eclipse simulations show temperature changes in the path of totality up to −3 K near the surface, −1 K at the stratopause, ±4 K in the mesosphere, and −40 K in the thermosphere. In the F region ionosphere, electron density is depleted by about 55%. Both the temperature and electron density exhibit global effects in the hours following the eclipse. There are also significant effects on stratosphere‐mesosphere chemistry, including an increase in ozone by nearly a factor of 2 at 65 km. Dynamical impacts of the eclipse in the lower atmosphere appear to propagate to the upper atmosphere. This study provides insight into coupled eclipse effects through the entire atmosphere from the surface through the ionosphere.
Appreciation of 2017 GRL Peer Reviewers
Authors: Diffenbaugh Noah , Beal Lisa , Bayani Cardenas M. , Cobb Kim , Cory Rose , Cronin Meghan , Dombard Andrew J. , Hogg Andrew , Ilyina Tatiana , Korte Monika , Lu Gang , Magnusdottir Gudrun , Newman Andrew V. , Opher Merav , Ritsema Jeroen , Sprintall Janet , Stroeve Julienne , Thornton Joel A. , Williams Paul D. , Yau Andrew
Published: April 2018

Thank you to those who reviewed in 2017 for Geophysical Research Letters.
A Quasi‐Physical Dynamic Reduced Order Model for Thermospheric Mass Density via Hermitian Space‐Dynamic Mode Decomposition
Authors: Mehta Piyush M. , Linares Richard , Sutton Eric K.
Published: April 2018

Thermospheric mass density is a major driver of satellite drag, the largest source of uncertainty in accurately predicting the orbit of satellites in low Earth orbit (LEO) pertinent to space situational awareness. Most existing models for thermosphere are either physics based or empirical. Physics‐based models offer the potential for good predictive/forecast capabilities but require dedicated parallel resources for real‐time evaluation and data assimilative capabilities that are still under development. Empirical models are fast to evaluate but offer very limited forecasting abilities. This paper presents methodology for developing a reduced order dynamic model from high‐dimensional physics‐based models by capturing the underlying dynamical behavior. The quasi‐physical reduced order model for thermospheric mass density is developed using a large dataset of Thermosphere‐Ionosphere‐Electrodynamics General Circulation Model (TIE‐GCM) simulations spanning 12 years and covering a complete solar cycle. Toward this end, a new reduced order modeling approach, based on dynamic mode decomposition with control that uses the Hermitian space of the problem to derive the dynamic and input matrices in a tractable manner is developed. Results show that the reduced order model performs well in serving as a reduced order surrogate for TIE‐GCM while almost always maintaining the forecast error to within 5% of the simulated densities after 24 hrs.
Large-scale fabrication of highly ordered sub-20 nm noble metal nanoparticles on silica substrates without metallic adhesion layers
Authors: Le-The Hai , Berenschot Erwin , Tiggelaar Roald M. , Tas Niels R. , van den Berg Albert , Eijkel Jan C. T.
Published: April 2018

Periodic noble metal nanoparticles offer a wide spectrum of applications including chemical and biological sensors, optical devices, and model catalysts due to their extraordinary properties. For sensing purposes and catalytic studies, substrates made of glass or fused-silica are normally required as supports, without the use of metallic adhesion layers. However, precise patterning of such uniform arrays of silica-supported noble metal nanoparticles, especially at sub-100 nm in diameter, is challenging without adhesion layers. In this paper, we report a robust method to large-scale fabricate highly ordered sub-20 nm noble metal nanoparticles, i.e., gold and platinum, supported on silica substrates without adhesion layers, combining displacement Talbot lithography (DTL) with dry-etching techniques. Periodic photoresist nanocolumns at diameters of ~110 nm are patterned on metal-coated oxidized silicon wafers using DTL, and subsequently transferred at a 1:1 ratio into anti-reflection layer coating (BARC) nanocolumns with the formation of nano-sharp tips, using nitrogen plasma etching. These BARC nanocolumns are then used as a mask for etching the deposited metal layer using inclined argon ion-beam etching. We find that increasing the etching time results in cone-shaped silica features with metal nanoparticles on the tips at diameters ranging from 100 nm to sub-30 nm, over large areas of 3×3 cm2. Moreover, subsequent annealing these sub-30 nm metal nanoparticle arrays at high-temperature results in sub-20 nm metal nanoparticle arrays with ~1010 uniform particles.
Striatopallidal neurons control avoidance behavior in exploratory tasks
Authors: LeBlanc Kimberly H. , London Tanisha D. , Szczot Ilona , Bocarsly Miriam E. , Friend Danielle M. , Nguyen Katrina P. , Mengesha Marda M. , Rubinstein Marcelo , Alvarez Veronica A. , Kravitz Alexxai V.
Published: April 2018

The dorsal striatum has been linked to decision-making under conflict, but the mechanism by which striatal neurons contribute to approach-avoidance conflicts remains unclear. We hypothesized that striatopallidal dopamine D2 receptor (D2R)-expressing neurons promote avoidance, and tested this hypothesis in two exploratory approach-avoidance conflict paradigms in mice: the elevated zero maze and open field. Genetic elimination of D2Rs on striatopallidal neurons (iMSNs), but not other neural populations, increased avoidance of the open areas in both tasks, in a manner that was dissociable from global changes in movement. Population calcium activity of dorsomedial iMSNs was disrupted in mice lacking D2Rs on iMSNs, suggesting that disrupted output of iMSNs contributes to heightened avoidance behavior. Consistently, artificial disruption of iMSN output with optogenetic stimulation heightened avoidance of open areas of these tasks, while inhibition of iMSN output reduced avoidance. We conclude that dorsomedial striatal iMSNs control approach-avoidance conflicts in exploratory tasks, and highlight this neural population as a potential target for reducing avoidance in anxiety disorders.
Predator and prey biodiversity relationship and its consequences on marine ecosystem functioning—interplay between nanoflagellates and bacterioplankton
Authors: Yang Jinny Wu , Wu Wenxue , Chung Chih-Ching , Chiang Kuo-Ping , Gong Gwo-Ching , Hsieh Chih-hao
Published: April 2018

The importance of biodiversity effects on ecosystem functioning across trophic levels, especially via predatory–prey interactions, is receiving increased recognition. However, this topic has rarely been explored for marine microbes, even though microbial biodiversity contributes significantly to marine ecosystem function and energy flows. Here we examined diversity and biomass of bacteria (prey) and nanoflagellates (predators), as well as their effects on trophic transfer efficiency in the East China Sea. Specifically, we investigated: (i) predator diversity effects on prey biomass and trophic transfer efficiency (using the biomass ratio of predator/prey as a proxy), (ii) prey diversity effects on predator biomass and trophic transfer efficiency, and (iii) the relationship between predator and prey diversity. We found higher prey diversity enhanced both diversity and biomass of predators, as well as trophic transfer efficiency, which may arise from more balanced diet and/or enhanced niche complementarity owing to higher prey diversity. By contrast, no clear effect was detected for predator diversity on prey biomass and transfer efficiency. Notably, we found prey diversity effects on predator–prey interactions; whereas, we found no significant diversity effect on biomass within the same trophic level. Our findings highlight the importance of considering multi-trophic biodiversity effects on ecosystem functioning in natural ecosystems.
The ng_ζ1 toxin of the gonococcal epsilon/zeta toxin/antitoxin system drains precursors for cell wall synthesis
Authors: Rocker Andrea , Peschke Madeleine , Kittilä Tiia , Sakson Roman , Brieke Clara , Meinhart Anton
Published: April 2018

Bacterial toxin–antitoxin complexes are emerging as key players modulating bacterial physiology as activation of toxins induces stasis or programmed cell death by interference with vital cellular processes. Zeta toxins, which are prevalent in many bacterial genomes, were shown to interfere with cell wall formation by perturbing peptidoglycan synthesis in Gram-positive bacteria. Here, we characterize the epsilon/zeta toxin–antitoxin (TA) homologue from the Gram-negative pathogen Neisseria gonorrhoeae termed ng_ɛ1 / ng_ζ1. Contrary to previously studied streptococcal epsilon/zeta TA systems, ng_ɛ1 has an epsilon-unrelated fold and ng_ζ1 displays broader substrate specificity and phosphorylates multiple UDP-activated sugars that are precursors of peptidoglycan and lipopolysaccharide synthesis. Moreover, the phosphorylation site is different from the streptococcal zeta toxins, resulting in a different interference with cell wall synthesis. This difference most likely reflects adaptation to the individual cell wall composition of Gram-negative and Gram-positive organisms but also the distinct involvement of cell wall components in virulence.
TAK1 activation of alpha-TAT1 and microtubule hyperacetylation control AKT signaling and cell growth
Authors: Shah Nirav , Kumar Sanjay , Zaman Naveed , Pan Christopher C. , Bloodworth Jeffrey C. , Lei Wei , Streicher John M. , Hempel Nadine , Mythreye Karthikeyan , Lee Nam Y.
Published: April 2018

Acetylation of microtubules (MT) confers mechanical stability necessary for numerous functions including cell cycle and intracellular transport. Although αTAT1 is a major MT acetyltransferase, how this enzyme is regulated remains much less clear. Here we report TGF-β-activated kinase 1 (TAK1) as a key activator of αTAT1. TAK1 directly interacts with and phosphorylates αTAT1 at Ser237 to critically enhance its catalytic activity, as mutating this site to alanine abrogates, whereas a phosphomimetic induces MT hyperacetylation across cell types. Using a custom phospho-αTAT1-Ser237 antibody, we screen various mouse tissues to discover that brain contains some of the highest TAK1-dependent αTAT1 activity, which, accordingly, is diminished rapidly upon intra-cerebral injection of a TAK1 inhibitor. Lastly, we show that TAK1 selectively inhibits AKT to suppress mitogenic and metabolism-related pathways through MT-based mechanisms in culture and in vivo. Collectively, our findings support a fundamental new role for TGF-β signaling in MT-related functions and disease.
Three-dimensional Cardiomyocytes Structure Revealed By Diffusion Tensor Imaging and Its Validation Using a Tissue-Clearing Technique
Authors: Lee Sang-Eun , Nguyen Christopher , Yoon Jongjin , Chang Hyuk-Jae , Kim Sekeun , Kim Chul Hoon , Li Debiao
Published: April 2018

We characterized the microstructural response of the myocardium to cardiovascular disease using diffusion tensor imaging (DTI) and performed histological validation by intact, un-sectioned, three-dimensional (3D) histology using a tissue-clearing technique. The approach was validated in normal (n = 7) and ischemic (n = 8) heart failure model mice. Whole heart fiber tracking using DTI in fixed ex-vivo mouse hearts was performed, and the hearts were processed with the tissue-clearing technique. Cardiomyocytes orientation was quantified on both DTI and 3D histology. Helix angle (HA) and global HA transmurality (HAT) were calculated, and the DTI findings were confirmed with 3D histology. Global HAT was significantly reduced in the ischemic group (DTI: 0.79 ± 0.13°/% transmural depth [TD] and 3D histology: 0.84 ± 0.26°/%TD) compared with controls (DTI: 1.31 ± 0.20°/%TD and 3D histology: 1.36 ± 0.27°/%TD, all p < 0.001). On direct comparison of DTI with 3D histology for the quantitative assessment of cardiomyocytes orientation, significant correlations were observed in both per-sample (R2 = 0.803) and per-segment analyses (R2 = 0.872). We demonstrated the capability and accuracy of DTI for mapping cardiomyocytes orientation by comparison with the intact 3D histology acquired by tissue-clearing technique. DTI is a promising tool for the noninvasive characterization of cardiomyocytes architecture.
Improved method for estimating adlayer thickness and bulk RI change for gold nanocrescent sensors
Authors: Abumazwed Ahmed , Kubo Wakana , Tanaka Takuo , Kirk Andrew G.
Published: April 2018

This paper presents a novel method employing the maximum likelihood estimation (MLE) technique alongside a nonlinear sensor response model to improve and extract more quantitative sensing results for localized surface plasmon resonance biosensors. The nonlinear response model treats the sensor response as a nonlinear function of the biomolecular adlayer thickness. This method makes use of the multiple resonance characteristic of nanocrescent structures in order to estimate the adlayer thickness and bulk refractive index (RI) change. Nanoimprint lithography is used here to fabricate the nanostructures. The finite element method (FEM) is used to model the nanocrescents and numerically validate the nonlinear-MLE method. Comparing to the established linear model, the proposed nonlinear-MLE method achieves 75% improvement in the limit of detection based on the estimated adlayer thickness and improves the bulk RI resolution by two orders of magnitude.
Author Correction: Prognostic value of thyroid hormones in acute ischemic stroke – a meta analysis
Authors: Jiang Xingjun , Xing Hongyi , Wu Jing , Du Ruofei , Liu Houfu , Chen Jixiang , Wang Ji , Wang Chen , Wu Yan
Published: April 2018

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has been fixed in the paper.
Mutations in VP1 and 5′-UTR affect enterovirus 71 virulence
Authors: Chang Ching-Kun , Wu Shang-Rung , Chen Ying-Chin , Lee Kuen-Jin , Chung Nai-Hsiang , Lu Yi-Ju , Yu Shu-Ling , Liu Chia-Chyi , Chow Yen-Hung
Published: April 2018

Enterovirus 71 (EV71) is a major cause of hand, foot and mouth disease (HFMD). The current EV71 propagating in Vero (EV-V) or sub-passaged in RD (EV-R) cells was used as a pathogen. Interestingly, EV-R exhibited differential virulence; challenging human scavenger receptor class B2-expressing (hSCARB2-Tg) mice with EV71 revealed that EV-V was more virulent than EV-R: 100% of mice that received lethal amounts of EV-V died, while all the mice that received EV-R survived. Severe pathogenesis correlated with viral burdens and proinflammatory cytokine levels were observed in EV-V-challenged mice, but controversy in EV-R-challenged mice. Consensus sequence analysis revealed EV-R rapidly acquired complete mutations at E145G and S241L and partial mutations at V146I of VP1, and acquired a T to C substitution at nucleotide 494 of the 5′-UTR. EV-R exhibited higher binding affinity for another EV71 receptor, human P-selectin glycoprotein ligand-1 (hPSGL-1), than EV-V. Both EV71s exhibited no significant difference in binding to hSCARB2. The molecular modelling indicate that these mutations might influence EV71 engagement with PSGL-1 and in vivo virulence.
Dihydrogen vs. hydrogen bonding in the solvation of ammonia borane by tetrahydrofuran and liquid ammonia
Authors: Ingram David J. , Headen Thomas F. , Skipper Neal T. , Callear Samantha K. , Billing Matthew , Sella Andrea
Published: April 2018

The solvation structures of two systems rich in hydrogen and dihydrogen bonding interactions have been studied in detail experimentally through neutron diffraction with hydrogen/deuterium isotopic substitution.
Defects in metal triiodide perovskite materials towards high-performance solar cells: origin, impact, characterization, and engineering
Authors: Ran Chenxin , Xu Jiantie , Gao Weiyin , Huang Chunmao , Dou Shixue
Published: April 2018

The progress of defect science in metal triiodide perovskite is critically reviewed, including the origin, impacts, characterization, and engineering.
Atomically thin p–n junctions based on two-dimensional materials
Authors: Frisenda Riccardo , Molina-Mendoza Aday J. , Mueller Thomas , Castellanos-Gomez Andres , van der Zant Herre S. J.
Published: April 2018

The use of two-dimensional materials as building blocks in the production of p–n junctions has opened the door to novel device architectures with exceptional optoelectronics properties.
Hydroelectric power plant on a paper strip
Authors: Das Sankha Shuvra , Kar Shantimoy , Anwar Tarique , Saha Partha , Chakraborty Suman
Published: April 2018

We exploit the combinatorial advantage of electrokinetics and tortuosity of a cellulose-based paper network on laboratory grade filter paper for the development of a simple, inexpensive, yet extremely robust (shows constant performance for 12 days) ‘paper-and-pencil’-based device for energy harvesting applications.
Preparation of a temperature-responsive block copolymer-anchored graphene oxide@ZnS NPs luminescent nanocomposite for selective detection of 2,4,6-trinitrotoluene
Authors: Song Yajiao , Duan Haichao , Zhu Siyao , Lü Jianhua , Lü Changli
Published: April 2018

Thermo-sensitive block copolymer decorated GO@ZnS NPs nanocomposite was constructed via π–π stacking interaction as a robust fluorescent sensing platform for the selective detection of TNT.
On the interactions of TEMPO radicals with gold nanostructures
Authors: Aliaga C. , Michea S. , Pastenes C. , Salazar J. , Rezende M. C.
Published: April 2018

Nitroxide radicals do not bind with Au nanostructures through the –NO˙ moiety.
Focus on speciation assessment in marine radiochemistry using X-ray absorption spectroscopy
Authors: Beccia Maria Rosa , Solari Pier Lorenzo , Monfort Marguerite , Moulin Christophe , Den Auwer Christophe
Published: April 2018

We review the state-of-the-art and recent advances in the determination of radionuclide speciation in seawater.
Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and methanol: solution and solid-state characterization of an unexpected diorganotin(iv)-oxo cluster
Authors: Švec Petr , Cattey Hélène , Růžičková Zdeňka , Holub Josef , Růžička Aleš , Plasseraud Laurent
Published: April 2018

NovelC,N-chelated organotin(iv) complexes bearing weakly coordinating carborane moieties were prepared and used as a catalyst precursor for the direct synthesis of dimethyl carbonate (DMC) from CO2and methanol.
Foam flow in a model porous medium: II. The effect of trapped gas
Authors: Jones S. A. , Getrouw N. , Vincent-Bonnieu S.
Published: April 2018

Gas trapping is an important mechanism in foam injection processes in porous media.
[FeFe]-Hydrogenases: recent developments and future perspectives
Authors: Wittkamp F. , Senger M. , Stripp S. T. , Apfel U.-P.
Published: April 2018

[FeFe]-Hydrogenases are the most efficient enzymes for catalytic hydrogen turnover.
Ion mobility and gas phase H/D exchange: revealing the importance of a single hydrogen bond for the chiral recognition of crown ether ammonium complexes
Authors: Wollschläger Jan M. , Simon Konstantin , Gaedke Marius , Schalley Christoph A.
Published: April 2018

Ion mobility MS and gas phase H/D exchange experiments allow the detection of chiral recognition of crown ether/ammonium complexes in the gas phase.
A Cu2Se–Cu2O film electrodeposited on titanium foil as a highly active and stable electrocatalyst for the oxygen evolution reaction
Authors: Chen Hu , Gao Yan , Ye Lu , Yao Yanan , Chen Xuyang , Wei Yu , Sun Licheng
Published: April 2018

Cu2Se–Cu2O/TF electrode prepared via a simple and fast cathodic electrodeposition method. The electrode achieved a catalytic current density of 10 mA cm−2 for the OER at relatively low overpotential of 465 mV in 0.2 M carbonate buffer (pH = 11.0) and displayed a high durability over 20 h.
An antimicrobial bicyclic peptide from chemical space against multidrug resistant Gram-negative bacteria
Authors: Di Bonaventura Ivan , Baeriswyl Stéphane , Capecchi Alice , Gan Bee-Ha , Jin Xian , Siriwardena Thissa N. , He Runze , Köhler Thilo , Pompilio Arianna , Di Bonaventura Giovanni , van Delden Christian , Javor Sacha , Reymond Jean-Louis
Published: April 2018

Exploring chemical space can deliver novel antimicrobials against multidrug resistant bacteria.
Copper(i)-catalysed regio- and diastereoselective intramolecular alkylboration of terminal allenes via allylcopper(i) isomerization
Authors: Ozawa Yu , Iwamoto Hiroaki , Ito Hajime
Published: April 2018

We report the first copper(i)-catalysed intramolecular alkylboration of terminal allenes with an alkyl halide moiety.
Network-controlled unique reactivities of carbonyl groups in hollow and microporous organic polymer
Authors: Kim Myung Hyun , Choi Jaewon , Ko Kyoung Chul , Cho Kyoungil , Park Ji Hoon , Lee Sang Moon , Kim Hae Jin , Ko Yoon-Joo , Lee Jin Yong , Son Seung Uk
Published: April 2018

Hollow and microporous organic network bearing alkynone moieties showed unusual reactivities of the carbonyl groups in post-synthetic modification.
Design of Ag-decorated ZnO concave nanocubes using ZIF-8 with dual functional catalytic ability for decoloring dyes
Authors: Bai Lei , Zheng Shengbiao , Li Zirong , Wang Xuchun , Guo Yu , Ye Longqiang , Mao Jie
Published: April 2018

Ag/ZnO concave nanocubes were synthesized using ZIF-8 and AgNO3 and showed high activities in both the photocatalytic degradation and catalytic hydrogenation of methyl orange.
X4TCNQ2− dianions: versatile building blocks for supramolecular systems
Authors: Abrahams Brendan F. , Elliott Robert W. , Hudson Timothy A. , Robson Richard , Sutton Ashley L.
Published: April 2018

A new synthetic approach has led to the incorporation of TCNQ and F4TCNQ dianions into a wide variety of structures.
Exploiting rotational motion in molecular crystals
Authors: Catalano Luca , Naumov Panče
Published: April 2018

Rotational motion within molecular crystals is a prototypical concept to build future functional materials and solid-state molecular machines.
Optimal control of orientation and entanglement for two dipole–dipole coupled quantum planar rotors
Authors: Yu Hongling , Ho Tak-San , Rabitz Herschel
Published: April 2018

Optimal control simulations are performed for orientation and entanglement of two dipole–dipole coupled identical quantum rotors.
A mobile precursor determines protein resistance on nanostructured surfaces
Authors: Wang Kang , Chen Ye , Gong Xiangjun , Xia Jianlong , Zhao Junpeng , Shen Lei
Published: April 2018

A 2D-mobile protein in a precursor state is a prerequisite to protein resistance on nanostructured surfaces.
Solvent effects for vertical absorption and emission processes in solution using a self-consistent state specific method based on constrained equilibrium thermodynamics
Authors: Bi Ting-Jun , Xu Long-Kun , Wang Fan , Li Xiang-Yuan
Published: April 2018

A self-consistent state specific (SS) method in the framework of TDDFT is presented to account for solvent effects on absorption and emission processes for molecules in solution.
An investigation on the role of W doping in BiVO4 photoanodes used for solar water splitting
Authors: Zhao Xin , Hu Jun , Chen Shi , Chen Zhong
Published: April 2018

W doping has enhanced the photocurrent through increasing the carrier density and lowering surface charge transfer resistance.
Enhanced hydrogen photogeneration by bulk g-C3N4 through a simple and efficient oxidation route
Authors: Pisanu Ambra , Speltini Andrea , Vigani Barbara , Ferrari Franca , Mannini Matteo , Calisi Nicola , Cortigiani Brunetto , Caneschi Andrea , Quadrelli Paolo , Profumo Antonella , Malavasi Lorenzo
Published: April 2018

The hydrogen production rate under visible light of bulk g-C3N4 has been improved 8-fold by a simple oxidation process.
Probing ion current in solid-electrolytes at the meso- and nanoscale
Authors: Martinez Joseph , Ashby David , Zhu Cheng , Dunn Bruce , Baker Lane A. , Siwy Zuzanna S.
Published: April 2018

The ionic conductivity of silica ionogel based solid electrolyte on meso and nanoscales is measured.
Conservative evolution and industrial metabolism in Green Chemistry
Authors: Náray-Szabó Gábor , Mika László T.
Published: April 2018

Chemical substances and processes that play a fundamental role in the 12 principles of Green Chemistry representing conservative evolution and/or industrial metabolism were reviewed.
Heterogeneous non-mercury catalysts for acetylene hydrochlorination: progress, challenges, and opportunities
Authors: Zhong Jiawei , Xu Yunpeng , Liu Zhongmin
Published: April 2018

The replacement of mercuric chloride with non-mercury catalysts in acetylene hydrochlorination for the production of a vinyl chloride monomer, a precursor to polyvinyl chloride, would meet the requirements of green chemistry and have a great significance in the industrial field.
Multiple hydrogen bond coordination in three-constituent deep eutectic solvents enhances lignin fractionation from biomass
Authors: Xia Qinqin , Liu Yongzhuang , Meng Juan , Cheng Wanke , Chen Wenshuai , Liu Shouxin , Liu Yixing , Li Jian , Yu Haipeng
Published: April 2018

With the aid of DFT calculation, deep eutectic solvents can be designed more powerful for the pretreatment of lignocellulose and the production of biochemicals.
Atomic spectrometry update: review of advances in atomic spectrometry and related techniques
Authors: Evans E. Hywel , Pisonero Jorge , Smith Clare M. M. , Taylor Rex N.
Published: April 2018

This review covers advances in atomic spectrometric techniques, including atomic emission, absorption, fluorescence and mass spectrometry. Material on speciation and coupled techniques is not covered as this is included in a separate ASU review.
What are the drugs of the future?
Authors: Ngo Huy X. , Garneau-Tsodikova Sylvie
Published: April 2018

Are small molecules or biologics the drugs of the future?
1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells
Authors: Singh Amita , Singh Pooja , Kociok-Köhn Gabriele , Trivedi Manoj , Kumar Abhinav , Chauhan Ratna , Rane Sunit B. , Terashima Chiaki , Gosavi Suresh W. , Fujishima Akira
Published: April 2018

Herein, two dppf-appended Ni(ii) dithiolates with 2,2-diacetyl and 2-nitro anchors were prepared, and their light harvesting properties were explored in dye-sensitized solar cells (DSSCs).
A physico-chemical investigation of fluorine-enriched quinolines
Authors: Aribi Fallia , Panossian Armen , Jacquemin Denis , Vors Jean-Pierre , Pazenok Sergii , Leroux Frédéric R. , Elhabiri Mourad
Published: April 2018

A homogenous series of 2,4-bis(fluoroalkyl)-substituted quinolines was synthesized under mild reaction conditions and their physico-chemical (absorption and emission, electrochemistry, and TD-DFT) properties were thoroughly investigated.
Synthesis and physicochemical characterizations of coordination between palladium(ii) metal ions with floroquinolone drugs as medicinal model against cancer cells: novel metallopharmaceuticals
Authors: El-Megharbel Samy M. , Hegab Mohamed S. , Manaaa El-Sayed A. , Al-Humaidi Jehan Y. , Refat Moamen S.
Published: April 2018

Three new complexes of palladium(ii) floroquinolone drugs (levofloxacin (HLVX), pefloxacin mesylate (HPFX) and lomefloxacin (HLMX)) were prepared in alkaline media at pH = 9.
An efficient and sustainable catalytic reduction of carbon–carbon multiple bonds, aldehydes, and ketones using a Cu nanoparticle decorated metal organic framework
Authors: Kar Ashish Kumar , Srivastava Rajendra
Published: April 2018

Economical, reusable, eco-friendly sustainable process is reported that involve low amount of hydrazine hydrate.
Facile synthesis of Co3O4 nanosheets from MOF nanoplates for high performance anodes of lithium-ion batteries
Authors: Li Ang , Zhong Ming , Shuang Wei , Wang Chaopeng , Liu Jian , Chang Ze , Bu Xian-He
Published: April 2018

Co3O4 nanosheets are readily synthesized from a nanoplate MOF precursor and showed a remarkable performance as an anode material for lithium-ion batteries.
Three isoreticular MOFs derived from nitrogen-functionalized diisophthalate ligands: exploring the positional effect of nitrogen functional sites on the structural stabilities and selective C2H2/CH4 and CO2/CH4 adsorption properties
Authors: Bai Dongjie , Gao Xiaoxia , He Minghui , Wang Yao , He Yabing
Published: April 2018

The positional effect of nitrogen functional sites on the structural stability and gas adsorption property was explored in a family of ssa-type MOFs.
Correction: Ultra-wideband manipulation of electromagnetic waves by bilayer scattering engineered gradient metasurface
Authors: Guo Yinghui , Yan Jing , Pu Mingbo , Li Xiong , Ma Xiaoliang , Zhao Zeyu , Luo Xiangang
Published: April 2018

Correction for ‘Ultra-wideband manipulation of electromagnetic waves by bilayer scattering engineered gradient metasurface’ by Yinghui Guo et al., RSC Adv., 2018, 8, 13061–13066.
Bi-functional heterogeneous iron complexes for catalytic conversion of epoxides to cyclic carbonates and their application in the synthesis of polyurethane
Authors: Verma Shailesh , Nazish Mohd. , Kureshy Rukhsana I. , Khan Noor-ul H.
Published: April 2018

The development of a sustainable heterogeneous catalyst for direct conversion of CO2 to value-added chemicals is of great interest.
Convection inside condensing and evaporating droplets of aqueous solution
Authors: Pradhan Tapan Kumar , Panigrahi Pradipta Kumar
Published: April 2018

Buoyancy driven natural convection inside an evaporating and a condensing droplet.
Phase behaviour and applications of a binary liquid mixture of methanol and a thermotropic liquid crystal
Authors: Serrano Luis A. , Fornerod Maximiliano J. , Yang Ye , Gaisford Simon , Stellacci Francesco , Guldin Stefan
Published: April 2018

We report on the phase behaviour of methanol (MeOH) and the thermotropic liquid crystal 4-cyano-4′-pentylbiphenyl (5CB) and study novel routes for the extraction of target compounds.
Design and fabrication of reduction-sensitive cell penetrating nanofibers for enhanced drug efficacy
Authors: Yang Su , Xu Dawei , Dong He
Published: April 2018

In this work, we report the facile preparation of reduction-responsive cell penetrating nanofibers through the design and self-assembly of integrated multidomain peptides that have tunable surface charges and nanostructures in response to a chemically reducing environment. Stimuli-responsive cell penetrating activity was demonstrated for improved drug efficacy in HeLa cell culture compared with the non-responsive nanofibers.
TFE-induced local unfolding and fibrillation of SOD1: bridging the experiment and simulation studies
Authors: Kumar Vijay , Prakash Amresh , Pandey Preeti , Lynn Andrew M. , Hassan Md. Imtaiyaz
Published: April 2018

Misfolding and aggregation of Cu, Zn Superoxide dismutase (SOD1) is involved in the neurodegenerative disease, amyotrophic lateral sclerosis. Many studies have shown that metal-depleted, monomeric form of SOD1 displays substantial local unfolding dynamics and is the precursor for aggregation. Here, we have studied the structure and dynamics of different apo monomeric SOD1 variants associated with unfolding and aggregation in aqueous trifluoroethanol (TFE) through experiments and simulation. TFE induces partially unfolded β-sheet-rich extended conformations in these SOD1 variants, which subsequently develops aggregates with fibril-like characteristics. Fibrillation was achieved more easily in disulfide-reduced monomeric SOD1 when compared with wild-type and mutant monomeric SOD1. At higher concentrations of TFE, a native-like structure with the increase in α-helical content was observed. The molecular dynamics simulation results illustrate distinct structural dynamics for different regions of SOD1 variants and show uniform local unfolding of β-strands. The strands protected by the zinc-binding and electrostatic loops were found to unfold first in 20% (v/v) TFE, leading to a partial unfolding of β-strands 4, 5, and 6 which are prone to aggregation. Our results thus shed light on the role of local unfolding and conformational dynamics in SOD1 misfolding and aggregation.
Stereochemistry as a determining factor for the effect of a cell-penetrating peptide on cellular viability and epithelial integrity
Authors: Birch Ditlev , Christensen Malene V. , Staerk Dan , Franzyk Henrik , Nielsen Hanne Mørck
Published: April 2018

Cell-penetrating peptides (CPPs) comprise efficient peptide-based delivery vectors. Owing to the inherent poor enzymatic stability of peptides, CPPs displaying partial or full replacement of l-amino acids with the corresponding d-amino acids might possess advantages as delivery vectors. Thus, the present study aims to elucidate the membrane- and metabolism-associated effects of l-Penetratin (l-PEN) and its corresponding all-d analog (d-PEN). These effects were investigated when exerted on hepatocellular (HepG2) or intestinal (Caco-2 and IEC-6) cell culture models. The head-to-head comparison of these enantiomeric CPPs included evaluation of their effects on cell viability and morphology, epithelial membrane integrity, and cellular ultrastructure. In all investigated cell models, a rapid decrease in cell viability, pronounced membrane perturbation and an altered ultrastructure were detected upon exposure to d-PEN. At equimolar concentrations, these observations were less pronounced or even absent for cells exposed to l-PEN. Both CPPs remained stable for at least 2 h during exposure to proliferating cells (cultured for 24 h), although d-PEN exhibited a longer half-life when compared with that of l-PEN when exposed to well-differentiated cell monolayers (cultured for 18–20 days). Thus, the stereochemistry of the CPP penetratin significantly influences its effects on cell viability and epithelial integrity when profiled against a panel of mammalian cells.
Image Domain Gridding: a fast method for convolutional resampling of visibilities
Authors: van der Tol Sebastiaan , Veenboer Bram , Offringa André R.
Published: April 2018

In radio astronomy obtaining a high dynamic range in synthesis imaging of wide fields requires a correction for time and direction-dependent effects. Applying direction-dependent correction can be done by either partitioning the image in facets and applying a direction-independent correction per facet, or by including the correction in the gridding kernel (AW-projection).

An advantage of AW-projection over faceting is that the effectively applied beam is a sinc interpolation of the sampled beam, where the correction applied in the faceting approach is a discontinuous piece wise constant beam. However, AW-projection quickly becomes prohibitively expensive when the corrections vary over short time scales. This occurs, for example, when ionospheric effects are included in the correction. The cost of the frequent recomputation of the oversampled convolution kernels then dominates the total cost of gridding.

Image domain gridding is a new approach that avoids the costly step of computing oversampled convolution kernels. Instead low-resolution images are made directly for small groups of visibilities which are then transformed and added to the large uv grid. The computations have a simple, highly parallel structure that maps very well onto massively parallel hardware such as graphical processing units (GPUs). Despite being more expensive in pure computation count, the throughput is comparable to classical W-projection. The accuracy is close to classical gridding with a continuous convolution kernel. Compared to gridding methods that use a sampled convolution function, the new method is more accurate. Hence, the new method is at least as fast and accurate as classical W-projection, while allowing for the correction for quickly varying direction-dependent effects.
The Role of Tangible Interfaces in Enhancing Children's Engagement in Learning
Authors: Rante Hestiasari , Lund Michael , Caliz Doris
Published: April 2018

This paper presents the results of an exploratory study in which the authors investigated the impact of tangible interface used by children at the elementary school level. Exploration of the viability of graphics tablet and the pen tool was conducted by investigating the children's ease in acclimating to the technology and the effectiveness in engaging them to complete some tasks. Several children were invited to a workshop where they learned and played BatiKids, a game-based learning developed to support children in learning the process of making Indonesian hand-written batik. The qualitative analysis based on the notes and video recording taken on the field observational, and the responses to interview questions to the participants. The results show the main findings and discuss the design implications for a tangible interface in the context of BatiKids.
Energy Demand Analysis and Design of a Hybrid Power System in Bawean Islands, Indonesia
Authors: Hantoro Ridho , Budiono Cahyun , Kipkoech Ketter Ronald , Ade Satwika Nyoman
Published: April 2018

Over 70 000 000 people in Indonesia have no access to electricity. This study was carried out in Bawean Islands which are located in the Java Sea about 150 km North of Surabaya, the headquarters of East Java. The study to determine the energy services available in the Bawean Island was done through interviewing a random sample of 72 households in two villages namely Komalasa and Lebak. Based on the average monthly electricity consumption of the sampled households connected to the grid, a hybrid renewable energy based electrical supply system was designed for Gili Timur Island, one of the satellite islands around Bawean Island. The system was designed with the aid of a time step simulation software used to design and analyze hybrid power systems. A sensitivity analysis was also carried out on the optimum system to study the effects of variation in some of the system variables. HOMER suggests that for the expected peak load of 131 kW, an optimum system will consist of 150 kW from PV array, two wind turbines each rated 10 kW, a 75 kW diesel generator and batteries for storage.
Revisiting Renewable Energy Map in Indonesia: Seasonal Hydro and Solar Energy Potential for Rural Off-Grid Electrification (Provincial Level)
Authors: Agung Wahyuono Ruri , Magenika Julian Miga
Published: April 2018

Regarding the acceleration of renewable energy diffusion in Indonesia as well as achieving the national energy mix target, renewable energy map is essential to provide useful information to build renewable energy system. This work aims at updating the renewable energy potential map, i.e. hydro and solar energy potential, with a revised model based on the global climate data. The renewable energy map is intended to assist the design off-grid system by hydropower plant or photovoltaic system, particularly for rural electrification. Specifically, the hydro energy map enables the stakeholders to determine the suitable on-site hydro energy technology (from pico-hydro, micro-hydro, mini-hydro to large hydropower plant). Meanwhile, the solar energy map depicts not only seasonal solar energy potential but also estimated energy output from photovoltaic system.
Fuel Saving on Diesel Genset using PV/Battery Spike Cutting in Remote Area Microgrid
Authors: Dwi Atmaja Tinton , Ardath Kristi Ant , Risdiyanto Agus , Susanto Bambang , Andriani Dian , Fujita Makoto , Hirono Atsushi
Published: April 2018

Diesel Generator set was found to be a favorite power generator in a remote area. In this area, diesel genset usually consumes a significant amount of diesel fuel with higher fuel price than an urban area. Diesel Generator capacity conventionally prepared twice bigger or more than the existing load to prevent any load spike from designated equipment. This work implements an Energy Management System to cut the spike with the support from battery storage unit and photovoltaic module. Once the Energy Management System cut the load spike using battery/photovoltaics, Diesel Generator loads no longer need to be irrelevantly bigger than the existing load. The current experiment in the remote island at Raja Ampat archipelago indicates that the using of 80 kVA Diesel Generator can be reduced to 42 kVA Diesel Generator. This Diesel Generator replacement induces fuel consumption up to 50 %. With this designed work, a smart microgrid with PV-Battery-Diesel can be installed in a designated remote area with lower fuel consumption.
Studies on Mechanical Behaviour of Aluminium-Silicon Carbide-Copper Metal Matrix Composite
Authors: Shreyas P S , Shriramkumar S , Sruthisagar R , Vijaya Ramnath B , Elanchezhian C
Published: April 2018

Metal matrix composites (MMC) are the combination of two or more dissimilar base metals which in turn gives new metal. Composites have better properties than their base material. Nowadays, composites play the major role in manufacturing industries especially in automotive industry. This paper reveals the reinforcement of Aluminium alloy (6061) with Silicon Carbide and Copper in different ratios to produce new composite using stir casting technique in normal atmospheric temperature. In this work, mechanical behavior of the composite namely tensile strength, hardness and Flexural strength were evaluated. It was observed that sample 2 shows highest tensile strength of 155 MPa with hardness 73. The result shows that the hybrid composite had better mechanical property.