bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrodynamic trapping measures the interaction between membrane-associated molecules
Authors: Junghans Victoria , Hladilkova Jana , Santos Ana Mafalda , Lund Mikael , Davis Simon J. , Jönsson Peter
Published: August 2018

How membrane proteins distribute and behave on the surface of cells depends on the molecules’ chemical potential. However, measuring this potential, and how it varies with protein-to-protein distance, has been challenging. Here, we present a method we call hydrodynamic trapping that can achieve this. Our method uses the focused liquid flow from a micropipette to locally accumulate molecules protruding above a lipid membrane. The chemical potential, as well as information about the dimensions of the studied molecule, are obtained by relating the degree of accumulation to the strength of the trap. We have used this method to study four representative proteins, with different height-to-width ratios and molecular properties; from globular streptavidin, to the rod-like immune cell proteins CD2, CD4 and CD45. The data we obtain illustrates how protein shape, glycosylation and flexibility influence the behaviour of membrane proteins, as well as underlining the general applicability of the method.
Projected Increase in Hydropower Production in India under Climate Change
Authors: Ali Syed Azhar , Aadhar Saran , Shah Harsh L. , Mishra Vimal
Published: August 2018

Hydropower is a valuable renewable energy resource in India, which can help in climate change mitigation and meet the increasing energy demands. However, the crucial role of climate change on hydropower production in India remains unexplored. Here using the observations and model simulations, we show that seven large hydropower projects experienced a significant (p-value < 0.05) warming and a decline in precipitation and streamflow during the observed period of 1951–2007. However, all the hydropower projects are projected to experience a warmer and wetter climate in the future. Multimodel ensemble mean annual average temperature (precipitation) is projected to rise up to 6.3 ± 1.6 °C (18 ± 14.6%) in the catchments upstream of the other reservoirs by the end of the 21st century under representative concentration pathway (RCP) 8.5. Due to the projected increase in precipitation, mean annual streamflow (up to +45%) and hydropower (up to +25%) production are projected to rise under the future climate. However, significant warming (6.25 ± 1.62 °C) is projected to result in a decline in streamflow and hydropower production in May- June for snow-dominated Nathpa Jhakri and Bhakra Nangal hydropower projects. Our results provide insights into the development and planning of hydropower projects in India under the current projected future climate.
Identification of novel sesquiterpene synthase genes that mediate the biosynthesis of valerianol, which was an unknown ingredient of tea
Authors: Hattan Jun-ichiro , Shindo Kazutoshi , Sasaki Tetsuya , Ohno Fumina , Tokuda Harukuni , Ishikawa Kazuhiko , Misawa Norihiko
Published: August 2018

Seven cDNA clones encoding terpene synthases (TPSs), their structures closely related to each other, were isolated from the flower of Camellia hiemalis (‘Kantsubaki’). Their putative TPS proteins were phylogenetically positioned in a sole clade with the TPSs of other Camellia species. The obtained Tps genes, one of which was designated ChTps1 (ChTps1a), were introduced into mevalonate-pathway-engineered Escherichia coli, which carried the genes for utilizing acetoacetate as a substrate, and cultured in a medium including lithium acetoacetate. Volatile products generated in the E. coli cells transformed with ChTps1 were purified from the cell suspension culture, and analyzed by NMR. Consequently, the predominant product with ChTPS1 was identified as valerianol, indicating that the ChTps1 gene codes for valerianol synthase. This is the first report on a gene that can mediate the synthesis of valerianol. We next synthesized a Tps ortholog encoding ChTPS1variant R477H (named CsiTPS8), whose sequence had been isolated from a tea tree (Camellia sinensis), carried out similar culture experiment with the E. coli transformant including CsiTps8, and consequently found valerianol production equally. Furthermore, GC-MS analysis of several teas revealed that valerianol had been an unknown ingredient in green tea and black tea.
Repurposing Thioridazine (TDZ) as an anti-inflammatory agent
Authors: Baig Mirza S. , Roy Anjali , Saqib Uzma , Rajpoot Sajjan , Srivastava Mansi , Naim Adnan , Liu Dongfang , Saluja Rohit , Faisal Syed M. , Pan Qiuwei , Turkowski Kati , Darwhekar Gajanan N. , Savai Rajkumar
Published: August 2018

Nuclear factor-kB (NF-kB) is a crucial transcription factor in the signal transduction cascade of the inflammatory signaling. Activation of NF-κB depends on the phosphorylation of IκBα by IκB kinase (IKKβ) followed by subsequent ubiquitination and degradation. This leads to the nuclear translocation of the p50- p65 subunits of NF-κB, and further triggers pro-inflammatory cytokine gene expression. Thus, in the need of a more effective therapy for the treatment of inflammatory diseases, specific inhibition of IKKβ represents a rational alternative strategy to the current therapies. A computer-aided drug identification protocol was followed to identify novel IKKβ inhibitors from a database of over 1500 Food and Drug Administration (FDA) drugs. The best scoring compounds were compared with the already known high-potency IKKβ inhibitors for their ability to bind and inhibit IKKβ by evaluating their docking energy. Finally, Thioridazinehydrochloride (TDZ), a potent antipsychotic drug against Schizophrenia was selected and its efficiency in inhibiting IκBα protein degradation and NF-κB activation was experimentally validated. Our study has demonstrated that TDZ blocks IκBα protein degradation and subsequent NF-κB activation to inhibit inflammation. Thus, it is a potential repurposed drug against inflammation.
Image-Assisted Microvessel-on-a-Chip Platform for Studying Cancer Cell Transendothelial Migration Dynamics
Authors: Bertulli Cristina , Gerigk Magda , Piano Nicholas , Liu Ye , Zhang Duo , Müller Thomas , Knowles Tuomas J. , Huang Yan Yan Shery
Published: August 2018

With the push to reduce in vivo approaches, the demand for microphysiological models that recapitulate the in vivo settings in vitro is dramatically increasing. Here, we present an extracellular matrix-integrated microfluidic chip with a rounded microvessel of ~100 µm in diameter. Our system displays favorable characteristics for broad user adaptation: simplified procedure for vessel creation, minimised use of reagents and cells, and the ability to couple live-cell imaging and image analysis to study dynamics of cell-microenvironment interactions in 3D. Using this platform, the dynamic process of single breast cancer cells (LM2-4175) exiting the vessel lumen into the surrounding extracellular matrix was tracked. Here, we show that the presence of endothelial lining significantly reduced the cancer exit events over the 15-hour imaging period: there were either no cancer cells exiting, or the fraction of spontaneous exits was positively correlated with the number of cancer cells in proximity to the endothelial barrier. The capability to map the z-position of individual cancer cells within a 3D vessel lumen enabled us to observe cancer cell transmigration ‘hot spot’ dynamically. We also suggest the variations in the microvessel qualities may lead to the two distinct types of cancer transmigration behaviour. Our findings provide a tractable in vitro model applicable to other areas of microvascular research.
Stiff auxetics: Hierarchy as a route to stiff, strong lattice based auxetic meta-materials
Authors: Rayneau-Kirkhope D.
Published: August 2018

Using a combination of analytic and computational methods, we examine the effect of adding hierarchical substructure to an auxetic lattice. Our novel methodology, involving a coarse grain approach, allows for the analysis of hierarchically sub-structured lattices where direct computation would prove intractable. We show that through hierarchy one can create ultra-lightweight auxetic meta-materials of high strength and stiffness. Through scaling law arguments, we show that the benefits of hierarchical design can also be obtained in the general class of bending-dominated lattices. Furthermore, we show that the hierarchical structures presented show a wide range of tailorability in their mechanical properties, and exhibit increased strength when optimised for buckling resistance. Auxetic materials have a broad range of potential applications, and thus the creation of ultra-light auxetic meta-materials with enhanced stiffness and strength is undoubtedly of practical importance.
Statistical optimization for cadmium removal using Ulva fasciata biomass: Characterization, immobilization and application for almost-complete cadmium removal from aqueous solutions
Authors: El-Naggar Noura El-Ahmady , Hamouda Ragaa A. , Mousa Ibrahim E. , Abdel-Hamid Marwa S. , Rabei Nashwa H.
Published: August 2018

Cadmium is a global heavy metal pollutant. Marine green algae were used as efficient, low cost and eco-friendly biosorbent for cadmium ions removal from aqueous solutions. Plackett-Burman design was applied to determine the most significant factors for maximum cadmium removal from aqueous solutions using dry Ulva fasciata biomass. The most significant factors affecting cadmium removal process were further optimized by the face centered central composite design. The results indicated that 4 g of dry Ulva fasciata biomass was found to successfully remove 99.96% of cadmium from aqueous solution under the conditions of 200 mg/L of initial cadmium concentration at pH 5, 25 °C for 60 min of contact time with static condition. Dry Ulva fasciata biomass samples before and after cadmium biosorption were analyzed using SEM, EDS and FTIR. Furthermore, the immobilized biomass in sodium alginate-beads removed 99.98% of cadmium from aqueous solution at an initial concentration of 200 mg/L after 4 h which is significantly higher than that for control using sodium alginate beads without incorporation of the algal biomass (98.19%). Dry biomass of Ulva fasciata was proven to be cost-effective and efficient to eliminate heavy metals especially cadmium from aquatic effluents and the process is feasible, reliable and eco-friendly.
Stable and scalable 1T MoS2 with low temperature-coefficient of resistance
Authors: Sharma Chithra H. , Surendran Ananthu P. , Varghese Abin , Thalakulam Madhu
Published: August 2018

Monolithic realization of metallic 1T and semiconducting 2H phases makes MoS2 a potential candidate for future microelectronic circuits. A method for engineering a stable 1T phase from the 2H phase in a scalable manner and an in-depth electrical characterization of the 1T phase is wanting at large. Here we demonstrate a controllable and scalable 2H to 1T phase engineering technique for MoS2 using microwave plasma. Our method allows lithographically defining 1T regions on a 2H sample. The 1T samples show excellent temporal and thermal stability making it suitable for standard device fabrication techniques. We conduct both two-probe and four-probe electrical transport measurements on devices with back-gated field effect transistor geometry in a temperature range of 4 K to 300 K. The 1T samples exhibit Ohmic current-voltage characteristics in all temperature ranges without any dependence to the gate voltage, a signature of a metallic state. The sheet resistance of our 1T MoS2 sample is considerably lower and the carrier concentration is a few orders of magnitude higher than that of the 2H samples. In addition, our samples show negligible temperature dependence of resistance from 4 K to 300 K ruling out any hoping mediated or activated electrical transport.
Symmetry-restoring quantum phase transition in a two-dimensional spinor condensate
Authors: Chudnovskiy A. L. , Cheianov V.
Published: August 2018

Bose Einstein condensates of spin-1 atoms are known to exist in two different phases, both having spontaneously broken spin-rotation symmetry, a ferromagnetic and a polar condensate. Here we show that in two spatial dimensions it is possible to achieve a quantum phase transition from a polar condensate into a singlet phase symmetric under rotations in spin space. This can be done by using particle density as a tuning parameter. Starting from the polar phase at high density the system can be tuned into a strong-coupling intermediate-density point where the phase transition into a symmetric phase takes place. By further reducing the particle density the symmetric phase can be continuously deformed into a Bose-Einstein condensate of singlet atomic pairs. We calculate the region of the parameter space where such a molecular phase is stable against collapse.
Enhanced hot electron lifetimes in quantum wells with inhibited phonon coupling
Authors: Esmaielpour Hamidreza , Whiteside Vincent R. , Piyathilaka Herath P. , Vijeyaragunathan Sangeetha , Wang Bin , Adcock-Smith Echo , Roberts Kenneth P. , Mishima Tetsuya D. , Santos Michael B. , Bristow Alan D. , Sellers Ian R.
Published: August 2018

Hot electrons established by the absorption of high-energy photons typically thermalize on a picosecond time scale in a semiconductor, dissipating energy via various phonon-mediated relaxation pathways. Here it is shown that a strong hot carrier distribution can be produced using a type-II quantum well structure. In such systems it is shown that the dominant hot carrier thermalization process is limited by the radiative recombination lifetime of electrons with reduced wavefunction overlap with holes. It is proposed that the subsequent reabsorption of acoustic and optical phonons is facilitated by a mismatch in phonon dispersions at the InAs-AlAsSb interface and serves to further stabilize hot electrons in this system. This lengthens the time scale for thermalization to nanoseconds and results in a hot electron distribution with a temperature of 490 K for a quantum well structure under steady-state illumination at room temperature.
Perspective-dependent reactivity of sensorimotor mu rhythm in alpha and beta ranges during action observation: an EEG study
Authors: Angelini Monica , Fabbri-Destro Maddalena , Lopomo Nicola Francesco , Gobbo Massimiliano , Rizzolatti Giacomo , Avanzini Pietro
Published: August 2018

During action observation, several visual features of observed actions can modulate the level of sensorimotor reactivity in the onlooker. Among possibly relevant parameters, one of the less investigated in humans is the visual perspective from which actions are observed. In the present EEG study, we assessed the reactivity of alpha and beta mu rhythm subcomponents to four different visual perspectives, defined by the position of the observer relative to the moving agent (identifying first-person, third-person and lateral viewpoints) and by the anatomical compatibility of observed effectors with self- or other individual’s body (identifying ego- and allo-centric viewpoints, respectively). Overall, the strongest sensorimotor responsiveness emerged for first-person perspective. Furthermore, we found different patterns of perspective-dependent reactivity in rolandic alpha and beta ranges, with the former tuned to visuospatial details of observed actions and the latter tuned to action-related parameters (such as the direction of actions relative to the observer), suggesting a higher recruitment of beta motor rhythm in face-to-face interactions. The impact of these findings on the selection of most effective action stimuli for “Action Observation Treatment” neurorehabilitative protocols is discussed.
Selective Elimination of Human Induced Pluripotent Stem Cells Using Medium with High Concentration of L-Alanine
Authors: Nagashima Takunori , Shimizu Kazunori , Matsumoto Ryo , Honda Hiroyuki
Published: August 2018

Human pluripotent stem cells, including human induced pluripotent stem cells (hiPSCs), serve as highly valuable sources for both cell-based therapies and basic research, owing to their abilities to self-renew and differentiate into any cell type of the human body. However, tumorigenic risks of residual undifferentiated stem cells limit the clinical application of hiPSCs, necessitating methods to eliminate undifferentiated hiPSCs from differentiated cells. Here, we found that undifferentiated hiPSCs were more sensitive to the treatment with a medium supplemented with high concentration of L-alanine than human fibroblasts (hFBs), human skeletal muscle cells (hSkMCs), hiPSC-derived cardiomyocytes (iCMs) or hiPSC-derived fibroblast-like cells (iFLCs), which were used as differentiated cells. Undifferentiated hiPSCs co-cultured with differentiated cells were selectively eliminated following treatment. In addition, we found that the medium supplemented with high concentration of D-alanine or β-alanine also induced cell death of hiPSCs and the treatment at 4 °C didn’t induce cell death of hiPSCs. The cell death induced would be associated partly with high osmotic pressure of the medium supplemented with L-alanine. As L-alanine is a component of proteins in human body and popular ingredient of cell culture media, treatment with high concentration of L-alanine may be useful for eliminating tumorigenic residual hiPSCs for stem cell-based therapies.
A numerical treatment of MHD radiative flow of Micropolar nanofluid with homogeneous-heterogeneous reactions past a nonlinear stretched surface
Authors: Lu Dianchen , Ramzan M. , Ahmad Shafiq , Chung Jae Dong , Farooq Umer
Published: August 2018

The impact of nonlinear thermal radiation in the flow of micropolar nanofluid past a nonlinear vertically stretching surface is investigated. The electrically conducting fluid is under the influence of magnetohydrodynamics, heat generation/absorption and mixed convection in the presence of convective boundary condition. The system of differential equations is solved numerically using the bvp4c function of MATLAB. To authenticate our results, two comparisons with already studied problems are also conducted and an excellent concurrence is found; hence reliable results are being presented. Complete deliberation for magnetite nanofluid with Ferric Oxide (Fe3O4) nanoparticles in the water-based micropolar nanofluid is also given to depict some stimulating phenomena. The effect of assorted parameters on velocity, homogeneous-heterogeneous reactions, temperature and micropolar velocity profiles are discussed and examined graphically. Moreover, graphical illustrations for the Nusselt number and Skin friction are given for sundry flow parameters. It is examined that temperature distribution and its associated boundary layer thickness increase for mounting values of the magnetic parameter. Additionally, it is detected that the Nusselt number decays when we increase the values of the Biot number.
A Bayesian state-space model using age-at-harvest data for estimating the population of black bears (Ursus americanus) in Wisconsin
Authors: Allen Maximilian L. , Norton Andrew S. , Stauffer Glenn , Roberts Nathan M. , Luo Yanshi , Li Qing , MacFarland David , Van Deelen Timothy R.
Published: August 2018

Population estimation is essential for the conservation and management of fish and wildlife, but accurate estimates are often difficult or expensive to obtain for cryptic species across large geographical scales. Accurate statistical models with manageable financial costs and field efforts are needed for hunted populations and using age-at-harvest data may be the most practical foundation for these models. Several rigorous statistical approaches that use age-at-harvest and other data to accurately estimate populations have recently been developed, but these are often dependent on (a) accurate prior knowledge about demographic parameters of the population, (b) auxiliary data, and (c) initial population size. We developed a two-stage state-space Bayesian model for a black bear (Ursus americanus) population with age-at-harvest data, but little demographic data and no auxiliary data available, to create a statewide population estimate and test the sensitivity of the model to bias in the prior distributions of parameters and initial population size. The posterior abundance estimate from our model was similar to an independent capture-recapture estimate from tetracycline sampling and the population trend was similar to the catch-per-unit-effort for the state. Our model was also robust to bias in the prior distributions for all parameters, including initial population size, except for reporting rate. Our state-space model created a precise estimate of the black bear population in Wisconsin based on age-at-harvest data and potentially improves on previous models by using little demographic data, no auxiliary data, and not being sensitive to initial population size.
Iridium-based probe for luminescent nitric oxide monitoring in live cells
Authors: Wu Chun , Wu Ke-Jia , Kang Tian-Shu , Wang Hui-Min David , Leung Chung-Hang , Liu Jin-Biao , Ma Dik-Lung
Published: August 2018

Nitric oxide (NO) is an intra- and extracellular messenger with important functions during human physiology process. A long-lived luminescent iridium(III) complex probe1has been designed and synthesized for the monitoring of NO controllably released from sodium nitroprusside (SNP). Probe1displayed a 15-fold switch-on luminescence in the presence of SNP at 580 nm. The probe exhibited a linear response towards SNP between 5 to 25 μM with detection limit at 0.18 μM. Importantly, the luminescent switch-on detection of NO in HeLa cells was demonstrated. Overall, complex1has the potential to be applied for NO tracing in complicated cellular environment.
Development of Bacillus methanolicus methanol dehydrogenase with improved formaldehyde reduction activity
Authors: Yi Jiyeun , Lee Jinhyuk , Sung Bong Hyun , Kang Du-Kyeong , Lim GyuTae , Bae Jung-Hoon , Lee Seung-Goo , Kim Sun Chang , Sohn Jung-Hoon
Published: August 2018

Methanol dehydrogenase (MDH), an NAD+-dependent oxidoreductase, reversibly converts formaldehyde to methanol. This activity is a key step for both toxic formaldehyde elimination and methanol production in bacterial methylotrophy. We mutated decameric Bacillus methanolicus MDH by directed evolution and screened mutants for increased formaldehyde reduction activity in Escherichia coli. The mutant with the highest formaldehyde reduction activity had three amino acid substitutions: F213V, F289L, and F356S. To identify the individual contributions of these residues to the increased reduction activity, the activities of mutant variants were evaluated. F213V/F289L and F213V/F289L/F356S showed 25.3- and 52.8-fold higher catalytic efficiency (kcat/Km) than wild type MDH, respectively. In addition, they converted 5.9- and 6.4-fold more formaldehyde to methanol in vitro than the wild type enzyme. Computational modelling revealed that the three substituted residues were located at MDH oligomerization interfaces, and may influence oligomerization stability: F213V aids in dimer formation, and F289L and F356S in decamer formation. The substitutions may stabilise oligomerization, thereby increasing the formaldehyde reduction activity of MDH.
Comparison of Simulated Keratometry and Total Refractive Power for Keratoconus According to the Stage of Amsler-Krumeich Classification
Authors: Kamiya Kazutaka , Kono Yusuke , Takahashi Masahide , Shoji Nobuyuki
Published: August 2018

This study was aimed to assess the simulated keratometry (Sim K) and the total corneal refractive power (TCRP) in eyes with keratoconus with respect to the Amsler-Krumeich classification. We enrolled 100 eyes of 100 keratoconic patients and 25 age-matched normal eyes. The Sim K and TCRP were measured with a rotating Scheimpflug system (Pentacam HR, Oculus). The differences between Sim K and TCRP in the keratoconus group were significantly larger than those in the control group (p < 0.001). The differences between Sim K and TCRP became larger in the progressive stages of the disease (p = 0.191 for stage 1, p = 0.008 for stage 2, p < 0.001 for stage 3, p < 0.001 for stage 4). We found a significant correlation of Sim K with the differences between Sim K and TCRP in keratoconic patients (r = 0.497, p < 0.001). The differences between Sim K and TCRP for keratoconus were significantly larger than those for normal eyes, and the differences between Sim K and TCRP tended to become larger in the progressive stages of the disease. It is suggested that the Sim K readings overestimate the TCRP, especially in advanced keratoconus, and that this discrepancy is a possible source of a hyperopic refractive error after cataract surgery.
Amplitude-scan classification using artificial neural networks
Authors: Dansingani Kunal K. , Vupparaboina Kiran Kumar , Devarkonda Surya Teja , Jana Soumya , Chhablani Jay , Freund K. Bailey
Published: August 2018

Optical coherence tomography (OCT) images semi-transparent tissues noninvasively. Relying on backscatter and interferometry to calculate spatial relationships, OCT shares similarities with other pulse-echo modalities. There is considerable interest in using machine learning techniques for automated image classification, particularly among ophthalmologists who rely heavily on diagnostic OCT. Artificial neural networks (ANN) consist of interconnected nodes and can be employed as classifiers after training on large datasets. Conventionally, OCT scans are rendered as 2D or 3D human-readable images of which the smallest depth-resolved unit is the amplitude-scan reflectivity-function profile which is difficult for humans to interpret. We set out to determine whether amplitude-scan reflectivity-function profiles representing disease signatures could be distinguished and classified by a feed-forward ANN. Our classifier achieved high accuracies after training on only 24 eyes, with evidence of good generalization on unseen data. The repertoire of our classifier can now be expanded to include rare and unseen diseases and can be extended to other disciplines and industries.
Novel, sensitive and selective colorimetric detection of arsenate in aqueous solution by a Fenton-like reaction of Fe3O4 nanoparticles
Authors: Babu Christus A. Anand , Panneerselvam P. , Ravikumar A.
Published: August 2018

In this paper, we present a novel colorimetric sensor for the detection of arsenate in aqueous solution.
The self-assembly and metal adatom coordination of a linear bis-tetrazole ligand on Ag(111)
Authors: Knecht Peter , Suryadevara Nithin , Zhang Bodong , Reichert Joachim , Ruben Mario , Barth Johannes V. , Klyatskaya Svetlana , Papageorgiou Anthoula C.
Published: August 2018

A rich spectrum of room-temperature stable Ag and Fe2+ coordination nodes, ranging from monomers to trimers, emerges on silver.
Progress in selective oxidative dehydrogenation of light alkanes to olefins promoted by boron nitride catalysts
Authors: Shi Lei , Wang Yang , Yan Bing , Song Wei , Shao Dan , Lu An-Hui
Published: August 2018

We highlight recent progress on a newly-developed catalyst system, boron nitride, for selective oxidative dehydrogenation of light alkanes.
Poly(N-acryloyl glycinamide): a fascinating polymer that exhibits a range of properties from UCST to high-strength hydrogels
Authors: Xu Ziyang , Liu Wenguang
Published: August 2018

This feature article introduces the diverse intriguing properties of poly(N-acryloyl glycinamide) aqueous systems spanning from low to high concentrations.
1,2,4-Triazolium ions as flexible scaffolds for the construction of polyphilic ionic liquid crystals
Authors: Riccobono Alessio , Parker Rachel R. , Whitwood Adrian C. , Slattery John M. , Bruce Duncan W. , Pibiri Ivana , Pace Andrea
Published: August 2018

A novel scaffold for the construction of self-organised ionic liquids and ionic liquid crystals bearing both perfluorocarbon and hydrocarbon moieties has been developed.
Au(i)-Catalyzed expeditious access to naphtho[2,3-c]furan-1(3-H)-ones from readily available propargylic ynoates
Authors: Li Ting , Wang Huiyan , Qian Pengcheng , Yang Yuhan , Li Bo , Zhang Liming
Published: August 2018

Gold(i)-catalyzed facile construction of naphtho[2,3-c]furan-1(3-H)-ones from readily available propargylic ynoates has been developed.
Amine–carboxylate supramolecular synthon in pharmaceutical cocrystals
Authors: Li Duanxiu , Kong Minmin , Li Jiong , Deng Zongwu , Zhang Hailu
Published: August 2018

Four novel pharmaceutical cocrystals of l-proline were obtained via combined virtual and experimental screening. The results confirm that an amine–carboxylate supramolecular synthon can be used for pharmaceutical cocrystal design.
Water-mediated curvature change in graphene by single-walled carbon nanotubes
Authors: Gade Hrushikesh M. , Wanjari Piyush P. , Velpuri Srihas V. V.
Published: August 2018

Simulations showing water-mediated nanotube-induced curvature change within a compatible graphene sheet resulting in the formation of a nearly perfect multi-walled carbon nanotube.
A structural model of the hierarchical assembly of an amyloid nanosheet by an infrared probe technique
Authors: Jia Baohuan , Sun Ying , Yang Lujuan , Yu Yang , Fan Haoran , Ma Gang
Published: August 2018

A hierarchical structural model of an amyloid nanosheet by IR probe technique.
Strain controlled electronic and transport anisotropies in two-dimensional borophene sheets
Authors: Shukla Vivekanand , Grigoriev Anton , Jena Naresh K. , Ahuja Rajeev
Published: August 2018

Two recent reports on realization of an elemental 2D analogue of graphene:borophene (Science, 2015, 350, 1513–1516; Nat. Chem., 2016, 8, 563–568) focus on the inherent anisotropy and directional dependence of the electronic properties in borophene polymorphs.
Regium bonds between Mn clusters (M = Cu, Ag, Au and n = 2–6) and nucleophiles NH3 and HCN
Authors: Zierkiewicz Wiktor , Michalczyk Mariusz , Scheiner Steve
Published: August 2018

Closed and open-shell complexes of M clusters (M = Cu, Ag, Au) with NH3 and HCN can be stabilized by regium bonds, ranging up to more than 30 kcal mol−1.
How well can density functional theory and pair-density functional theory predict the correct atomic charges for dissociation and accurate dissociation energetics of ionic bonds?
Authors: Bao Junwei Lucas , Verma Pragya , Truhlar Donald G.
Published: August 2018

The accuracy of density functional theory (DFT) is often judged by predicted dissociation energies, but one should also consider charge densities as illustrated here for dissociation of heteronuclear diatomic molecules, including ionic bonds for which local density functionals yield erroneous results.
A computational study of the Fenton reaction in different pH ranges
Authors: Lu Hsiu-Feng , Chen Hui-Fen , Kao Chai-Lin , Chao Ito , Chen Hsing-Yin
Published: August 2018

The mechanism of the Fenton reaction is pH dependent and four distinct reactive species have been identified and found to display quite different oxidation reactivities.
Nuclear spin singlet states as magnetic on/off probes in self-assembling systems
Authors: Mamone Salvatore , Glöggler Stefan
Published: August 2018

Nuclear singlet states in thermo-responsive peptides are introduced as magnetic on/off switches.
Computational mechanistic elucidation of the rare earth metal-mediated cycloamidination of aminoalkenes with nitriles
Authors: Tobisch Sven
Published: August 2018

An in-depth computational mechanistic probe of the rare earth metal-mediated cycloamidination of aminoalkenes with nitriles allowed the substitution of mechanistic hypothesis advanced previously by a computationally verified mechanistic view, thus providing solid ground for further rational catalyst improvement.
Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction
Authors: Kadassery Karthika J. , MacMillan Samantha N. , Lacy David C.
Published: August 2018

We synthesized new organomanganese complexes using the phenolic “pincer” type ligand H-POP.
Nanomat Li–S batteries based on all-fibrous cathode/separator assemblies and reinforced Li metal anodes: towards ultrahigh energy density and flexibility
Authors: Kim Jung-Hwan , Lee Yong-Hyeok , Cho Sung-Ju , Gwon Jae-Gyoung , Cho Hye-Jung , Jang Minchul , Lee Sun-Young , Lee Sang-Young
Published: August 2018

Nanomat Li–S batteries based on all-fibrous cathode/separator assemblies and reinforced Li metal anodes are presented to enable ultrahigh-energy-density and flexibility.
Large Nernst power factor over a broad temperature range in polycrystalline Weyl semimetal NbP
Authors: Fu Chenguang , Guin Satya N. , Watzman Sarah J. , Li Guowei , Liu Enke , Kumar Nitesh , Süβ Vicky , Schnelle Walter , Auffermann Gudrun , Shekhar Chandra , Sun Yan , Gooth Johannes , Felser Claudia
Published: August 2018

NbP shows larger Nernst power factor than its conventional power factor, highlighting the potential of topological semimetals for energy conversion based on transverse transport.
Spiers Memorial Lecture : Introductory lecture: quantum dynamics of chemical reactions
Authors: Clary David C.
Published: August 2018

This Spiers Memorial Lecture discusses quantum effects that can be calculated and observed in the chemical reactions of small molecules.
A water soluble ESIPT-based fluorescent chemodosimeter for the ratiometric detection of palladium ions in aqueous solution and its application in live-cell imaging
Authors: Huang Jing , Ding Yu , Fu Hongyu , Chen Bo , Han Yifeng
Published: August 2018

A new Excited State Intramolecular Proton Transfer (ESIPT) based water-soluble fluorescent chemodosimeter for the ratiometric detection of palladium ions has been rationally designed and developed.
Synthesis of germanium–platinum nanoparticles as high-performance catalysts for spray-deposited large-area dye-sensitized solar cells (DSSC) and the hydrogen evolution reaction (HER)
Authors: Lim Suh-Ciuan , Hsiao Ming-Cheng , Lu Ming-De , Tung Yung-Liang , Tuan Hsing-Yu
Published: August 2018

The first example of the synthesis of GePt nanoparticles is demonstrated. They exhibited high-performance catalytic properties as DSSC and HER electrodes.
Target-protein-selective inactivation and labelling using an oxidative catalyst
Authors: Sato Shinichi , Tsushima Michihiko , Nakamura Hiroyuki
Published: August 2018

Reactive oxygen species (ROS) and radical species generated by oxidative single-electron transfer (SET) catalysts induce local environmental oxidative reactions, resulting in protein inactivation and labelling in proximity to the catalysts.
One-pot synthesized ABA tri-block copolymers for high-performance organic field-effect transistors
Authors: Ge Feng , Liu Zhen , Tian Fengshou , Du Yuchang , Liu Lingyun , Wang Xiaohong , Lu Hongbo , Wu Zongquan , Zhang Guobing , Qiu Longzhen
Published: August 2018

A series of P3HT-b-PHA-b-P3HT tri-block copolymers were synthesized in one pot and fabricated into organic field-effect transistors by a blending method.
Indole as a new sustainable aromatic unit for high quality biopolyesters
Authors: Wang Ping , Arza Carlos R. , Zhang Baozhong
Published: August 2018

For the first time, indole has been used as a sustainable aromatic unit to produce high quality biopolyesters.
A thermally responsive host–guest conductive hydrogel with self-healing properties
Authors: Zhu Yuting , Liu Sidi , Shi Xiaoli , Han Dong , Liang Feng
Published: August 2018

Flexible PANI-containing conductive hydrogel networks on the basis of preorganized αCD-containing N-isopropylacrylamide (αCD-PNIPAM) hydrogels with high thermoresponsive and self-healing properties.
Lactobionic acid-functionalized polyethersulfone hollow fiber membranes promote HepG2 attachment and function
Authors: Verma Surendra Kumar , Modi Akshay , Dravid Ashwin , Bellare Jayesh
Published: August 2018

Surface modification of polyethersulfone hollow fibers, which are important in bio-artificial liver, is increasingly used to improve biocompatibility and promote the adhesion and proliferation of hepatocytes resulting in improved cell functionality.
Catalytic and anti-bacterial properties of biosynthesized silver nanoparticles using native inulin
Authors: Xu Wei , Huang Kunling , Jin Weiping , Luo Denglin , Liu Huan , Li Yingying , Liu Xinfang
Published: August 2018

Silver nanoparticles (Ag NPs) were green synthesized using native inulin as the reducing and capping agent with varied incubation temperatures, incubation times and Ag+ concentrations.
Carboxymethylcellulose ammonium-derived nitrogen-doped carbon fiber/molybdenum disulfide hybrids for high-performance supercapacitor electrodes
Authors: Lv Yanyan , Zhou Yi , Shao Ziqiang , Wei Jie , Li Lei , Wang Yiping
Published: August 2018

Novel CMC-NH4-derived nitrogen-doped CFs/MoS2 hybrid electrode materials are prepared using CMC-NH4 as a structure-directing agent for MoS2 nanosheets.
Electrochemical behaviour and analysis of Zn and Zn–Ni alloy anti-corrosive coatings deposited from citrate baths
Authors: Anwar Shams , Zhang Yahui , Khan Faisal
Published: August 2018

Anticorrosive coatings are a useful approach for protecting steel structures/machinery against corrosion.
Development of a superhydrophobic electrospun poly(vinylidene fluoride) webviaplasma etching and water immersion for energy harvesting applications
Authors: Ju Beom-Jun , Oh Ji-Hyun , Yun Changsang , Park Chung Hee
Published: August 2018

Flexible and breathable electrospun PVDF web with both piezoelectricity and superhydrophobicity for smart textiles was fabricated by a simple process, plasma etching and water immersion, without any additional coatings.
Facile preparation of partially reduced graphite oxide nanosheets as a binder-free electrode for supercapacitors
Authors: Zhang Juncai , Deng Lingjuan , Liu Zong-huai
Published: August 2018

Partial reduced graphite oxide nanosheets with excellent capacitive property have been prepared using commercial Cu2O powders as reduction agent.
Tailoring the molecular design of twisted dihydrobenzodioxin phenanthroimidazole derivatives for non-doped blue organic light-emitting devices
Authors: Jayabharathi Jayaraman , Ramya Ramaiyan , Thanikachalam Venugopal , Nethaji Pavadai
Published: August 2018

Efficient blue emitters, 1-(2,3-dihydrobenzodioxinyl)-2-naphthylphenanthroimidazole, 1-(2,3-dihydrobenzodioxinyl)-2-methoxynaphthylphenanthroimidazole and 1-(2,3-dihydrobenzodioxinyl)-2-pyrenylphenanthroimidazole have been reported.
Oxygen plasma assisted enhanced photoresponse of ZnO nanowires fabricated by catalyst-free chemical vapor deposition
Authors: Jiang Haitao , Liu Shibin , Liang Liyuan , Lu Wenqiang
Published: August 2018

Photocurrent of the ZnO nanowire-based photodetectors was enhanced 8 times by modifying the surface of nanowires with oxygen plasma.
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
Authors: Sun Jing , Jiang Wang , Yan Chao-Guo
Published: August 2018

The functionalized tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles were conveniently synthesized in high yields by one-pot domino reaction of tryptamines, alkyl propiolates and 2-aryl-3-nitro-2H-chromenes.
Novel total syntheses of oxoaporphine alkaloids enabled by mild Cu-catalyzed tandem oxidation/aromatization of 1-Bn-DHIQs
Authors: Zheng Bo , Qu Hui-Ya , Meng Tian-Zhuo , Lu Xia , Zheng Jie , He Yun-Gang , Fan Qi-Qi , Shi Xiao-Xin
Published: August 2018

Novel total syntheses of several oxoaporphine alkaloids were developed. The Cu-catalyzed conversion of 1-benzyl-3,4-dihydro-isoquinolines (1-Bn-DHIQs) to 1-benzoyl-isoquinolines (1-Bz-IQs) as the key step of these total syntheses has also been investigated in detail.
An investigation of gaseous hydrogen storage characterizations of Mg–Y–Ni–Cu alloys synthesized by melt spinning
Authors: Zhang Yanghuan , Ji Yanquan , Yuan Zeming , Bu Wengang , Qi Yan , Guo Shihai
Published: August 2018

Melt spinning enables the crystalline alloy to be strongly disordered and nanostructured, thus enhancing the hydrogen storage kinetics of Mg25−xYxNi9Cu.
Unveiling the role of the hexagonal polymorph on SrAl2O4-based phosphors
Authors: Rojas-Hernandez Rocío Estefanía , Rubio-Marcos Fernando , Serrano Aida , Rakhmatullin Aydar , Bessada Catherine , Fernandez José Francisco
Published: August 2018

In persistent luminescence materials, the SrO–Al2O3 system has been mainly studied due to its chemical stability, higher photoluminescence response and longest green-afterglow times.
Understanding the visible-light photocatalytic activity of GaN:ZnO solid solution: the role of Rh2−yCryO3 cocatalyst and charge carrier lifetimes over tens of seconds
Authors: Godin Robert , Hisatomi Takashi , Domen Kazunari , Durrant James R.
Published: August 2018

Time-resolved spectroscopies reveals remarkably long charge carrier lifetime in GaN:ZnO solid solution leading to hole accumulation key to water oxidation.
Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction
Authors: Higashino Tomohiro , Kumagai Atsushi , Sakaki Shigeyoshi , Imahori Hiroshi
Published: August 2018

The dithieno[3,4-b:3′,4′-d]thiophene unit is a new effective motif to realize the π-system switching of expanded porphyrins.
Tailor-made Janus lectin with dual avidity assembles glycoconjugate multilayers and crosslinks protocells
Authors: Ribeiro João P. , Villringer Sarah , Goyard David , Coche-Guerente Liliane , Höferlin Manuela , Renaudet Olivier , Römer Winfried , Imberty Anne
Published: August 2018

The double-faced Janus lectin, designed by assembling sialic acid and fucose-specific lectin, organize multivalent heteroglyco compounds in mulitlayered material, and glycosylated protocells in prototissues.
Facile room temperature synthesis of large graphene sheets from simple molecules
Authors: Lopes Laís C. , da Silva Lidya C. , Vaz Boniek G. , Oliveira Alfredo R. M. , Oliveira Marcela M. , Rocco Maria L. M. , Orth Elisa S. , Zarbin Aldo J. G.
Published: August 2018

The simplest way to produce large graphene sheets starting from simple molecules (benzene or n-hexane) under ambient conditions (temperature and pressure).
A nanosized metal–organic framework confined inside a functionalized mesoporous polymer: an efficient CO2 adsorbent with metal defects
Authors: Jiao Chengli , Majeed Zeeshan , Wang Guang-Hui , Jiang Heqing
Published: August 2018

A nanosized metal–organic framework with metal defects active for CO2 adsorption was confined inside a carbonyl and hydroxyl functionalized mesoporous polymer.
Isostatic pressure-assisted nanocasting preparation of zeolite templated carbon for high-performance and ultrahigh rate capability supercapacitors
Authors: Teng Chunlin , Han Yi , Fu Guangying , Hu Jibo , Zheng Haibing , Lu Xihong , Jiang Jiuxing
Published: August 2018

Three-dimensional ordered zeolite template carbon (ZTC) with an impressive supercapacitor performance is prepared via a novel high isostatic pressure-assisted nanocasting method.
Novel double-networked polyurethane composites with multi-stimuli responsive functionalities
Authors: Cai Chenyang , Wei Zechang , Wang Xing , Mei Changtong , Fu Yu , Zhong W. H.
Published: August 2018

Functionalized microcrystal cellulose and a rhodamine derivative are developed as two dual-functional modifiers to construct heterogeneously assembled polyurethane double-networks with property improvement and multi-stimuli responsive functionalities.
High-efficiency polymer solar cells with low temperature solution-processed SnO2/PFN as a dual-function electron transporting layer
Authors: Shen Ping , Yao Mengnan , Wang Guoxin , Mi Ruoning , Guo Wenbin , Bai Yang , Shen Liang
Published: August 2018

SnO2/PFN integrated the function of enhanced electron extraction and reduced charge recombination, exhibiting an efficiency of 11.05%.
Nest-like V3O7 self-assembled by porous nanowires as an anode supercapacitor material and its performance optimization through bonding with N-doped carbon
Authors: Zhao Danyang , Zhu Qiancheng , Chen Dejian , Li Xi , Yu Ying , Huang Xintang
Published: August 2018

Vanadium oxides (such as V2O5, V2O3 and VO2) hold great promise as electrode materials for energy storage due to their high electrochemical activity, low cost and environmental benignity.
Assembled growth of 3D Fe3O4@Au nanoparticles for efficient photothermal ablation and SERS detection of microorganisms
Authors: Hong Wei-En , Hsu I-Ling , Huang Szu-Yung , Lee Chien-Wei , Ko Han , Tsai Pei-Jane , Shieh Dar-Bin , Huang Chih-Chia
Published: August 2018

A leukocyte-like Fe3O4@Au-polydopamine nanohybrid performed a magnetism-based enhanced SERS signal and efficient NIR-irradiated photothermal antibacterial agent.
Piezochromic luminescence of AIE-active molecular co-crystals: tunable multiple hydrogen bonding and molecular packing
Authors: Lu Bo , Zhang Yujian , Yang Xiaogang , Wang Kai , Zou Bo , Yan Dongpeng
Published: August 2018

Prominent piezochromic materials play a vital role in the development of damage detection devices and smart sensors.
The potential of human induced pluripotent stem cells for modelling diabetic wound healing in vitro
Authors: Martin Patricia E. , O’Shaughnessy Erin M. , Wright Catherine S. , Graham Annette
Published: August 2018

Impaired wound healing and ulceration caused by diabetes mellitus, is a significant healthcare burden, markedly impairs quality of life for patients, and is the major cause of amputation worldwide. Current experimental approaches used to investigate the complex wound healing process often involve cultures of fibroblasts and/or keratinocytes in vitro, which can be limited in terms of complexity and capacity, or utilisation of rodent models in which the mechanisms of wound repair differ substantively from that in humans. However, advances in tissue engineering, and the discovery of strategies to reprogramme adult somatic cells to pluripotency, has led to the possibility of developing models of human skin on a large scale. Generation of induced pluripotent stem cells (iPSCs) from tissues donated by diabetic patients allows the (epi)genetic background of this disease to be studied, and the ability to differentiate iPSCs to multiple cell types found within skin may facilitate the development of more complex skin models; these advances offer key opportunities for improving modelling of wound healing in diabetes, and the development of effective therapeutics for treatment of chronic wounds.
Statistical Learning and Spelling
Authors: Treiman Rebecca
Published: August 2018

Purpose

The purpose of this article is to provide a tutorial on statistical learning and its role in learning to spell and to discuss the implications of the research for educators.

Method

The tutorial begins with a discussion of statistical learning and its characteristics. It then discusses research on how statistical learning plays out in learning to spell, how spelling should be taught, and similarities and differences among learners. The focus is on the learning of English, although studies of other alphabetic writing systems are also considered. Research shows that, from an early age, children use their statistical learning skills to learn about the visual characteristics of written words. Children also use their statistical learning skills to help learn about the relations between visual units and units of language, supplementing what they are explicitly taught in school.

Conclusion

Statistical learning plays an important role in learning to spell, and this can help to explain why some aspects of spelling are more difficult to learn than others. If children are to learn to spell effectively and efficiently, structured instruction is also important.