bluuebunny/crossref_metadata_2025 huggingface dataset:
Visualizing the orientational dependence of an intermolecular potential
Authors: Sweetman Adam , Rashid Mohammad A. , Jarvis Samuel P. , Dunn Janette L. , Rahe Philipp , Moriarty Philip
Published: February 2016

Scanning probe microscopy can now be used to map the properties of single molecules with intramolecular precision by functionalization of the apex of the scanning probe tip with a single atom or molecule. Here we report on the mapping of the three-dimensional potential between fullerene (C60) molecules in different relative orientations, with sub-Angstrom resolution, using dynamic force microscopy (DFM). We introduce a visualization method which is capable of directly imaging the variation in equilibrium binding energy of different molecular orientations. We model the interaction using both a simple approach based around analytical Lennard–Jones potentials, and with dispersion-force-corrected density functional theory (DFT), and show that the positional variation in the binding energy between the molecules is dominated by the onset of repulsive interactions. Our modelling suggests that variations in the dispersion interaction are masked by repulsive interactions even at displacements significantly larger than the equilibrium intermolecular separation.
Earth's oldest mantle fabrics indicate Eoarchaean subduction
Authors: Kaczmarek Mary-Alix , Reddy Steven M. , Nutman Allen P. , Friend Clark R. L. , Bennett Vickie C.
Published: February 2016

The extension of subduction processes into the Eoarchaean era (4.0–3.6 Ga) is controversial. The oldest reported terrestrial olivine, from two dunite lenses within the ∼3,720 Ma Isua supracrustal belt in Greenland, record a shape-preferred orientation of olivine crystals defining a weak foliation and a well-defined lattice-preferred orientation (LPO). [001] parallel to the maximum finite elongation direction and (010) perpendicular to the foliation plane define a B-type LPO. In the modern Earth such fabrics are associated with deformation of mantle rocks in the hanging wall of subduction systems; an interpretation supported by experiments. Here we show that the presence of B-type fabrics in the studied Isua dunites is consistent with a mantle origin and a supra-subduction mantle wedge setting, the latter supported by compositional data from nearby mafic rocks. Our results provide independent microstructural data consistent with the operation of Eoarchaean subduction and indicate that microstructural analyses of ancient ultramafic rocks provide a valuable record of Archaean geodynamics.
Lazy workers are necessary for long-term sustainability in insect societies
Authors: Hasegawa Eisuke , Ishii Yasunori , Tada Koichiro , Kobayashi Kazuya , Yoshimura Jin
Published: February 2016

Optimality theory predicts the maximization of productivity in social insect colonies, but many inactive workers are found in ant colonies. Indeed, the low short-term productivity of ant colonies is often the consequence of high variation among workers in the threshold to respond to task-related stimuli. Why is such an inefficient strategy among colonies maintained by natural selection? Here, we show that inactive workers are necessary for the long-term sustainability of a colony. Our simulation shows that colonies with variable thresholds persist longer than those with invariable thresholds because inactive workers perform the critical function of replacing active workers when they become fatigued. Evidence of the replacement of active workers by inactive workers has been found in ant colonies. Thus, the presence of inactive workers increases the long-term persistence of the colony at the expense of decreasing short-term productivity. Inactive workers may represent a bet-hedging strategy in response to environmental stochasticity.
Development of non-defective recombinant densovirus vectors for microRNA delivery in the invasive vector mosquito, Aedes albopictus
Authors: Liu Peiwen , Li Xiaocong , Gu Jinbao , Dong Yunqiao , Liu Yan , Santhosh Puthiyakunnon , Chen Xiaoguang
Published: February 2016

We previously reported that mosquito densoviruses (MDVs) are potential vectors for delivering foreign nucleic acids into mosquito cells. However, considering existing expression strategies, recombinant viruses would inevitably become replication-defective viruses and lose their ability for secondary transmission. The packaging limitations of the virion represent a barrier for the development of MDVs for viral paratransgenesis or as high-efficiency bioinsecticides. Herein, we report the development of a non-defective recombinant Aedes aegypti densovirus (AaeDV) miRNA expression system, mediated by an artificial intron, using an intronic miRNA expression strategy. We demonstrated that this recombinant vector could be used to overexpress endogenous miRNAs or to decrease endogenous miRNAs by generating antisense sponges to explore the biological functions of miRNAs. In addition, the vector could express antisense-miRNAs to induce efficient gene silencing in vivo and in vitro. The recombinant virus effectively self-replicated and retained its secondary transmission ability, similar to the wild-type virus. The recombinant virus was also genetically stable. This study demonstrated the first construction of a non-defective recombinant MDV miRNA expression system, which represents a tool for the functional analysis of mosquito genes and lays the foundation for the application of viral paratransgenesis for dengue virus control.
Coherently Tunable Triangular Trefoil Phaseonium Metamaterial
Authors: Nguyen D. M. , Soci Cesare , Ooi C. H. Raymond
Published: February 2016

Phaseonium is a three-level Λ quantum system, in which a coherent microwave and an optical control (pump) beams can be used to actively modulate the dielectric response. Here we propose a new metamaterial structure comprising of a periodic array of triangular phaseonium metamolecules arranged as a trefoil. We present a computational study of the spatial distribution of magnetic and electric fields of the probe light and the corresponding transmission and reflection, for various parameters of the optical and microwave beams. For specific values of the probing frequencies and control fields, the phaseonium can display either metallic or dielectric optical response. We find that, in the metallic regime, the phaseonium metamaterial structure supports extremely large transmission, with optical amplification at large enough intensity of the microwave thanks to strong surface plasmon coupling; while, in the dielectric regime without microwave excitation, the transmission bandwidth can be tuned by varying the control beam intensity. Implementation of such phaseonium metamaterial structure in solid-state systems, such as patterned crystals doped with rare-earth elements or dielectric matrices embedded with quantum dots, could enable a new class of actively tunable quantum metamaterials.
Phantom limb perception interferes with motor imagery after unilateral upper-limb amputation
Authors: Lyu Yuanyuan , Guo Xiaoli , Bekrater-Bodmann Robin , Flor Herta , Tong Shanbao
Published: February 2016

A potential contributor to impaired motor imagery in amputees is an alteration of the body schema as a result of the presence of a phantom limb. However, the nature of the relationship between motor imagery and phantom experiences remains unknown. In this study, the influence of phantom limb perception on motor imagery was investigated using a hand mental rotation task by means of behavioral and electrophysiological measures. Compared with healthy controls, significantly prolonged response time for both the intact and missing hand were observed specifically in amputees who perceived a phantom limb during the task but not in amputees without phantom limb perception. Event-related desynchronization of EEG in the beta band (beta-ERD) in central and parietal areas showed an angular disparity specifically in amputees with phantom limb perception, with its source localized in the right inferior parietal lobule. The response time as well as the beta-ERD values were significantly positively correlated with phantom vividness. Our results suggest that phantom limb perception during the task is an important interferential factor for motor imagery after amputation and the interference might be related to a change of the body representation resulting from an unnatural posture of the phantom limb.
Treatment of beta amyloid 1–42 (Aβ1–42)-induced basal forebrain cholinergic damage by a non-classical estrogen signaling activator in vivo
Authors: Kwakowsky Andrea , Potapov Kyoko , Kim SooHyun , Peppercorn Katie , Tate Warren P. , Ábrahám István M.
Published: February 2016

In Alzheimer’s disease (AD), there is a loss in cholinergic innervation targets of basal forebrain which has been implicated in substantial cognitive decline. Amyloid beta peptide (Aβ1–42) accumulates in AD that is highly toxic for basal forebrain cholinergic (BFC) neurons. Although the gonadal steroid estradiol is neuroprotective, the administration is associated with risk of off-target effects. Previous findings suggested that non-classical estradiol action on intracellular signaling pathways has ameliorative potential without estrogenic side effects. After Aβ1–42injection into mouse basal forebrain, a single dose of 4-estren-3α, 17β-diol (estren), the non-classical estradiol pathway activator, restored loss of cholinergic cortical projections and also attenuated the Aβ1–42-induced learning deficits. Estren rapidly and directly phosphorylates c-AMP-response–element-binding-protein and extracellular-signal-regulated-kinase-1/2 in BFC neurons and restores the cholinergic fibers via estrogen receptor-α. These findings indicated that selective activation of non-classical intracellular estrogen signaling has a potential to treat the damage of cholinergic neurons in AD.
WBSMDA: Within and Between Score for MiRNA-Disease Association prediction
Authors: Chen Xing , Yan Chenggang Clarence , Zhang Xu , You Zhu-Hong , Deng Lixi , Liu Ying , Zhang Yongdong , Dai Qionghai
Published: February 2016

Increasing evidences have indicated that microRNAs (miRNAs) are functionally associated with the development and progression of various complex human diseases. However, the roles of miRNAs in multiple biological processes or various diseases and their underlying molecular mechanisms still have not been fully understood yet. Predicting potential miRNA-disease associations by integrating various heterogeneous biological datasets is of great significance to the biomedical research. Computational methods could obtain potential miRNA-disease associations in a short time, which significantly reduce the experimental time and cost. Considering the limitations in previous computational methods, we developed the model of Within and Between Score for MiRNA-Disease Association prediction (WBSMDA) to predict potential miRNAs associated with various complex diseases. WBSMDA could be applied to the diseases without any known related miRNAs. The AUC of 0.8031 based on Leave-one-out cross validation has demonstrated its reliable performance. WBSMDA was further applied to Colon Neoplasms, Prostate Neoplasms and Lymphoma for the identification of their potential related miRNAs. As a result, 90%, 84% and 80% of predicted miRNA-disease pairs in the top 50 prediction list for these three diseases have been confirmed by recent experimental literatures, respectively. It is anticipated that WBSMDA would be a useful resource for potential miRNA-disease association identification.
Non-electrolytic synthesis of copper oxide/carbon nanocomposite by surface plasma in super-dehydrated ethanol
Authors: Kozak Dmytro S. , Sergiienko Ruslan A. , Shibata Etsuro , Iizuka Atsushi , Nakamura Takashi
Published: February 2016

Electrolytic processes are widely used to synthesize different nanomaterials and it does not depend on what kind of the method has been applied (wet-chemistry, sonochemistry, plasma chemistry, electrolysis and so on). Generally, the reactions in the electrolyte are considered to be reduction/oxidation (REDOX) reactions between chemical reagents or the deposition of matter on the electrodes, in line with Faraday’s law. Due to the presence of electroconductive additives in any electrolyte, the polarization effect of polar molecules conducting an electrical current disappears, when external high-strength electric field is induced. Because initially of the charge transfer always belongs of electroconductive additive and it does not depend on applied voltage. The polarization of ethanol molecules has been applied to conduct an electric current by surface plasma interaction for the synthesis of a copper oxide/carbon nanocomposite material.
High-Contrast Gratings based Spoof Surface Plasmons
Authors: Li Zhuo , Liu Liangliang , Xu Bingzheng , Ning Pingping , Chen Chen , Xu Jia , Chen Xinlei , Gu Changqing , Qing Quan
Published: February 2016

In this work, we explore the existence of spoof surface plasmons (SSPs) supported by deep-subwavelength high-contrast gratings (HCGs) on a perfect electric conductor plane. The dispersion relation of the HCGs-based SSPs is derived analyt- ically by combining multimode network theory with rigorous mode matching method, which has nearly the same form with and can be degenerated into that of the SSPs arising from deep-subwavelength metallic gratings (MGs). Numerical simula- tions validate the analytical dispersion relation and an effective medium approximation is also presented to obtain the same analytical dispersion formula. This work sets up a unified theoretical framework for SSPs and opens up new vistas in surface plasmon optics.
Altered drug susceptibility during host adaptation of a Plasmodium falciparum strain in a non-human primate model
Authors: Obaldía III Nicanor , Dow Geoffrey S. , Gerena Lucia , Kyle Dennis , Otero William , Mantel Pierre-Yves , Baro Nicholas , Daniels Rachel , Mukherjee Angana , Childs Lauren M. , Buckee Caroline , Duraisingh Manoj T. , Volkman Sarah K. , Wirth Dyann F. , Marti Matthias
Published: February 2016

Infections with Plasmodium falciparum, the most pathogenic of the Plasmodium species affecting man, have been reduced in part due to artemisinin-based combination therapies. However, artemisinin resistant parasites have recently emerged in South-East Asia. Novel intervention strategies are therefore urgently needed to maintain the current momentum for control and elimination of this disease. In the present study we characterize the phenotypic and genetic properties of the multi drug resistant (MDR) P. falciparum Thai C2A parasite strain in the non-human Aotus primate model, and across multiple passages. Aotus infections with C2A failed to clear upon oral artesunate and mefloquine treatment alone or in combination, and ex vivo drug assays demonstrated reduction in drug susceptibility profiles in later Aotus passages. Further analysis revealed mutations in the pfcrt and pfdhfr loci and increased parasite multiplication rate (PMR) across passages, despite elevated pfmdr1 copy number. Altogether our experiments suggest alterations in parasite population structure and increased fitness during Aotus adaptation. We also present data of early treatment failures with an oral artemisinin combination therapy in a pre-artemisinin resistant P. falciparum Thai isolate in this animal model.
Dynamic changes in protein interaction between AKAP95 and Cx43 during cell cycle progression of A549 cells
Authors: Chen Xiaoxuan , Kong Xiangyu , Zhuang Wenxin , Teng Bogang , Yu Xiuyi , Hua Suhang , Wang Su , Liang Fengchao , Ma Dan , Zhang Suhui , Zou Xuan , Dai Yue , Yang Wei , Zhang Yongxing
Published: February 2016

Here we show that A-kinase anchoring protein 95 (AKAP95) and connexin 43 (Cx43) dynamically interact during cell cycle progression of lung cancer A549 cells. Interaction between AKAP95 and Cx43 at different cell cycle phases was examined by tandem mass spectrometry(MS/MS), confocal immunofluorescence microscopy, Western blot, and co-immunoprecipitation(Co-IP). Over the course of a complete cell cycle, interaction between AKAP95 and Cx43 occurred in two stages: binding stage from late G1 to metaphase, and separating stage from anaphase to late G1. The binding stage was further subdivided into complex binding to DNA in interphase and complex separating from DNA in metaphase. In late G1, Cx43 translocated to the nucleus via AKAP95; in anaphase, Cx43 separated from AKAP95 and aggregated between two daughter nuclei. In telophase, Cx43 aggregated at the membrane of the cleavage furrow. After mitosis, Cx43 was absent from the furrow membrane and was located in the cytoplasm. Binding between AKAP95 and Cx43 was reduced by N-(2-[P-Bromocinnamylamino]-ethyl)-5-isoquinolinesulfonmide (H89) treatment and enhanced by Forskolin. dynamic interaction between AKAP95 and Cx43 varies with cell cycle progression to regulate multiple biological processes.
Are we failing to protect threatened mangroves in the Sundarbans world heritage ecosystem?
Authors: Sarker Swapan K. , Reeve Richard , Thompson Jill , Paul Nirmal K. , Matthiopoulos Jason
Published: February 2016

The Sundarbans, the largest mangrove ecosystem in the world, is under threat from historical and future human exploitation and sea level rise. Limited scientific knowledge on the spatial ecology of the mangroves in this world heritage ecosystem has been a major impediment to conservation efforts. Here, for the first time, we report on habitat suitability analyses and spatial density maps for the four most prominent mangrove species -Heritiera fomes, Excoecaria agallocha, Ceriops decandraandXylocarpus mekongensis. Globally endangeredH. fomesabundances declined as salinity increased. Responses to nutrients, elevation and stem density varied between species.H. fomesandX. mekongensispreferred upstream habitats.E. agallochaandC. decandrapreferred down-stream and mid-stream habitats. Historical harvesting had negative influences onH. fomes, C. decandraandX. mekongensisabundances. The established protected area network does not support the most suitable habitats of these threatened species. We therefore recommend a reconfiguration of the network to include these suitable habitats and ensure their immediate protection. These novel habitat insights and spatial predictions can form the basis for future forest studies and spatial conservation planning and have implications for more effective conservation of the Sundarbans mangroves and the many other species that rely on them.
Protective effects of genetic inhibition of Discoidin Domain Receptor 1 in experimental renal disease
Authors: Kerroch Monique , Alfieri Carlo , Dorison Aude , Boffa Jean-Jacques , Chatziantoniou Christos , Dussaule Jean-Claude
Published: February 2016

Chronic kidney disease is a progressive incurable pathology affecting millions of people. Intensive investigations aim to identify targets for therapy. We have previously demonstrated that abnormal expression of the Discoidin Domain Receptor 1 (DDR1) is a key factor of renal disease by promoting inflammation and fibrosis. The present study investigates whether blocking the expression of DDR1 after the initiation of renal disease can delay or arrest the progression of this pathology. Severe renal disease was induced by either injecting nephrotoxic serum (NTS) or performing unilateral ureteral obstruction in mice and the expression of DDR1 was inhibited by administering antisense oligodeoxynucleotides either at 4 or 8 days after NTS (corresponding to early or more established phases of disease, respectively), or at day 2 after ligation. DDR1 antisense administration at day 4 stopped the increase of proteinuria and protected animals against the progression of glomeruloneprhitis, as evidenced by functional, structural and cellular indexes. Antisense administration at day 8 delayed progression –but to a smaller degree- of renal disease. Similar beneficial effects on renal structure and inflammation were observed with the antisense administration of DDR1 after ureteral ligation. Thus, targeting DDR1 can be a promising strategy in the treatment of chronic kidney disease.
Discovery of Radioiodinated Monomeric Anthraquinones as a Novel Class of Necrosis Avid Agents for Early Imaging of Necrotic Myocardium
Authors: Wang Qin , Yang Shengwei , Jiang Cuihua , Li Jindian , Wang Cong , Chen Linwei , Jin Qiaomei , Song Shaoli , Feng Yuanbo , Ni Yicheng , Zhang Jian , Yin Zhiqi
Published: February 2016

Assessment of myocardial viability is deemed necessary to aid in clinical decision making whether to recommend revascularization therapy for patients with myocardial infarction (MI). Dianthraquinones such as hypericin (Hyp) selectively accumulate in necrotic myocardium, but were unsuitable for early imaging after administration to assess myocardial viability. Since dianthraquinones can be composed by coupling two molecules of monomeric anthraquinone and the active center can be found by splitting chemical structure, we propose that monomeric anthraquinones may be effective functional groups for necrosis targetability. In this study, eight radioiodinated monomeric anthraquinones were evaluated as novel necrosis avid agents (NAAs) for imaging of necrotic myocardium. All131I-anthraquinones showed high affinity to necrotic tissues and131I-rhein emerged as the most promising compound. Infarcts were visualized on SPECT/CT images at 6 h after injection of131I-rhein, which was earlier than that with131I-Hyp. Moreover,131I-rhein showed satisfactory heart-to-blood, heart-to-liver and heart-to-lung ratios for obtaining images of good diagnostic quality.131I-rhein was a more promising “hot spot imaging” tracer for earlier visualization of necrotic myocardium than131I-Hyp, which supported further development of radiopharmaceuticals based on rhein for SPECT/CT (123I and99mTc) or PET/CT imaging (18F and124I) of myocardial necrosis.
Holey graphene frameworks for highly selective post-combustion carbon capture
Authors: Chowdhury Shamik , Balasubramanian Rajasekhar
Published: February 2016

Atmospheric CO2 concentrations continue to rise rapidly in response to increased combustion of fossil fuels, contributing to global climate change. In order to mitigate the effects of global warming, development of new materials for cost-effective and energy-efficient CO2 capture is critically important. Graphene-based porous materials are an emerging class of solid adsorbents for selectively removing CO2 from flue gases. Herein, we report a simple and scalable approach to produce three-dimensional holey graphene frameworks with tunable porosity and pore geometry, and demonstrate their application as high-performance CO2 adsorbents. These holey graphene macrostructures exhibit a significantly improved specific surface area and pore volume compared to their pristine counterparts, and can be effectively used in post-combustion CO2 adsorption systems because of their intrinsic hydrophobicity together with good gravimetric storage capacities, rapid removal capabilities, superior cycling stabilities, and moderate initial isosteric heats. In addition, an exceptionally high CO2 over N2 selectivity can be achieved under conditions relevant to capture from the dry exhaust gas stream of a coal burning power plant, suggesting the possibility of recovering highly pure CO2 for long-term sequestration and/or utilization for downstream applications.
Resting-state functional connectivity between the dorsal anterior cingulate cortex and thalamus is associated with risky decision-making in nicotine addicts
Authors: Wei Zhengde , Yang Nannan , Liu Ying , Yang Lizhuang , Wang Ying , Han Long , Zha Rujing , Huang Ruiqi , Zhang Peng , Zhou Yifeng , Zhang Xiaochu
Published: February 2016

Nicotine addiction is associated with risky behaviors and abnormalities in local brain areas related to risky decision-making such as the dorsal anterior cingulate cortex (dACC), anterior insula (AI) and thalamus. Although these brain abnormalities are anatomically separated, they may in fact belong to one neural network. However, it is unclear whether circuit-level abnormalities lead to risky decision-making in smokers. In the current study, we used task-based functional magnetic resonance imaging (fMRI) and examined resting-state functional connectivity (RSFC) to study how connectivity between the dACC, insula and thalamus influence risky decision-making in nicotine addicts. We found that an increase in risky decision-making was associated with stronger nicotine dependence and stronger RSFC of the dACC-rAI (right AI), the dACC-thalamus, the dACC-lAI (left AI) and the rAI-lAI, but that risky decision-making was not associated with risk level-related activation. Furthermore, the severity of nicotine dependence positively correlated with RSFC of the dACC-thalamus but was not associated with risk level-related activation. Importantly, the dACC-thalamus coupling fully mediated the effect of nicotine-dependent severity on risky decision-making. These results suggest that circuit-level connectivity may be a critical neural link between risky decision-making and severity of nicotine dependence in smokers.
Serum n-3 polyunsaturated fatty acids and psychological distress in early pregnancy: Adjunct Study of Japan Environment and Children's Study
Authors: Hamazaki K , Harauma A , Otaka Y , Moriguchi T , Inadera H
Published: February 2016

N-3 polyunsaturated fatty acids (PUFAs), especially long-chain types such as docosahexaenoic acid, are important nutrients in pregnancy, but the relationship between n-3 PUFA levels and perinatal and postnatal depression remains controversial. This study examined the possible relationship between serum n-3 PUFA levels and psychological distress among expectant mothers in early pregnancy. Data and specimen samples were obtained in a birth cohort study started at Toyama Regional Center in July 2012 as an adjunct study of the Japan Environment and Children’s Study. Blood samples were collected at 9–14 weeks’ gestation (75% of samples) or after 15 weeks (25%). Subjects with a Kessler Psychological Distress Scale score (K6) ⩾9 were assigned to the psychological distress group (n=283). The control group (n=283) was matched for age, educational level and family income. Fatty acid composition was determined from serum samples by gas chromatography. Associations between fatty acid levels and incident psychological distress were evaluated by logistic regression. After adjusting for possible confounders, eicosapentaenoic acid showed an inverse association with risk of psychological distress, with an odds ratio of 0.47 (95% confidence interval: 0.30, 0.73) for the highest tertile. This inverse association remained even after applying a higher cutoff score (K6 ⩾13) indicating severe psychological distress (74 pairs). We believe this is the first study to reveal the associations between serum n-3 PUFAs and risk of psychological distress in early pregnancy. Further research is required to verify the causality of these associations.
NPY+-, but not PV+-GABAergic neurons mediated long-range inhibition from infra- to prelimbic cortex
Authors: Saffari R , Teng Z , Zhang M , Kravchenko M , Hohoff C , Ambrée O , Zhang W
Published: February 2016

Anxiety disorders are thought to reflect deficits in the regulation of fear memories. While the amygdala has long been considered a site of storage of fear memories, newer findings suggest that the prefrontal cortex (PFC) is essential in the regulation of amygdala-dependent memories and fear expression. Here, activation of the prelimbic cortex (PrL) enhances the expression of fear, while an elevated activity in the infralimbic cortex (IL) enhances fear extinction. Despite the presence of these facts, we still know very little about the synaptic interconnectivity within the PFC. The aim of the present study was to investigate the inhibitory circuits between prelimbic and IL using morphological and electrophysiological methods. Our immunohistochemical analysis revealed that the distribution of PV+- and NPY+-GABAergic neurons was strikingly different within the PFC. In addition, we provided the first experimental evidence that the pyramidal neurons in the PrL received a direct inhibitory input mediated by bipolar NPY+-GABAergic projection neurons in the IL. Deletion of the anxiety-related neuroligin 2 gene caused a decrease of this direct synaptic inhibition that originated from the IL. Thus, our data suggested that activation of the IL might not only directly activate the corresponding downstream anxiolytic pathway, but also suppress the PrL-related anxiogenic pathway and thus could differentially bias the regulation of fear expression and extinction.
In situ grown, self-supported iron–cobalt–nickel alloy amorphous oxide nanosheets with low overpotential toward water oxidation
Authors: Fan Jiaqi , Chen Zuofeng , Shi Huijie , Zhao Guohua
Published: February 2016

In situgrown and self-supported iron–cobalt–nickel ternary alloy amorphous oxides were prepared by simple anodization which showed superior electrocatalytic activity toward oxygen evolution reaction with an overpotential of only 170 mV and a low Tafel slope.
Triggering autocatalytic reaction by host–guest interactions
Authors: Sashuk Volodymyr , Butkiewicz Helena , Fiałkowski Marcin , Danylyuk Oksana
Published: February 2016

The acceleration of a sequential reaction through electrostatic alteration of substrate basicity within a supramolecular host is demonstrated.
Self-pairing of 1-methylthymine mediated by two and three Ag(i) ions: a gas phase study using infrared dissociation spectroscopy and density functional theory
Authors: Nosenko Yevgeniy , Riehn Christoph , Niedner-Schatteburg Gereon
Published: February 2016

Metal base pairs comprised of silver dimer or trimer and two thymines were studied by IR dissociation spectroscopy and density functional theory.
Two reaction regimes in the oxidation of larger cationic tantalum clusters (Tan+, n = 13–40) under multi-collision conditions
Authors: Neuwirth D. , Eckhard J. F. , Visser B. R. , Tschurl M. , Heiz U.
Published: February 2016

The reaction of cationic tantalum clusters (Tan+,n= 13–40) with molecular oxygen is studied under multi-collision conditions and at different temperatures.
Effects of protein–DNA complex formation on the intermolecular vibrational density of states of interfacial water
Authors: Chakraborty Kaushik , Bandyopadhyay Sanjoy
Published: February 2016

The formation of a protein–DNA complex influences the transverse and longitudinal degrees of freedom of surrounding water in a nonuniform manner.
Conversion of lignin model compounds under mild conditions in pseudo-homogeneous systems
Authors: Chen Lu , Xin Jiayu , Ni Lingli , Dong Huixian , Yan Dongxia , Lu Xingmei , Zhang Suojiang
Published: February 2016

A novel pseudo-homogeneous catalyst system consisting of noble metal nanoparticles and ionic liquids is developed for the selective reductive cleavage of C–O and hydrodeoxygenation under mild conditions.
Cationic and anionic azo-dye removal from water by sulfonated graphene oxide nanosheets in Nafion membranes
Authors: Scalese Silvia , Nicotera Isabella , D'Angelo Daniele , Filice Simona , Libertino Sebania , Simari Cataldo , Dimos Konstantinos , Privitera Vittorio
Published: February 2016

The use of graphene oxide flakes functionalized with 3-amino-1-propanesulfonic acid (GOSULF), as a powder or incorporated into a Nafion membrane, for the removal of cationic and anionic dyes is studied.
Pharmacophore based virtual screening for identification of marine bioactive compounds as inhibitors against macrophage infectivity potentiator (Mip) protein of Chlamydia trachomatis
Authors: Ramachandran Vijayan , Padmanaban Elavarasi , Ponnusamy Kalaiarasan , Naidu Subbarao , Natesan Manoharan
Published: February 2016

Macrophage infectivity potentiator (Mip) is the virulence factor fromChlamydia trachomatisthat is primarily responsible for causing sexually transmitted diseases (STDs) and blindness.
HPLC enantioseparation on a homochiral MOF–silica composite as a novel chiral stationary phase
Authors: Tanaka Koichi , Muraoka Toshihide , Otubo Yasuhiro , Takahashi Hiroki , Ohnishi Atsushi
Published: February 2016

Using enantiopure (R)-2,2′-dihydroxy-1,1′-binaphthalene-6,6′-dicarboxylic acid as a starting material, we prepared three homochiral MOFs that were further used as chiral stationary phases for HPLC to separate the enantiomers.
High-performance dielectric thin film nanocomposites of barium titanate and cyanoethyl pullulan: controlling the barium titanate nanoparticle size using a sol–gel method
Authors: Suematsu Koichi , Arimura Masashi , Uchiyama Naoyuki , Saita Shingo , Makino Teruhisa
Published: February 2016

Nanocomposite thin film with high dielectric performance composed of size-controlled BaTiO3 nanoparticles and cyanoethyl pullulan.
Metal–organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C
Authors: Ye Yingxiang , Wu Xiuzhen , Yao Zizhu , Wu Ling , Cai Zetao , Wang Lihua , Ma Xiuling , Chen Qian-Huo , Zhang Zhangjing , Xiang Shengchang
Published: February 2016

Flexible MOFs with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range.
Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork
Authors: Trivedi Drupad K. , Hollywood Katherine A. , Rattray Nicholas J. W. , Ward Holli , Trivedi Dakshat K. , Greenwood Joseph , Ellis David I. , Goodacre Royston
Published: February 2016

Adulteration of high quality food products with sub-standard and cheaper grades is a world-wide problem taxing the global economy.
endo-Functionalized molecular tubes: selective encapsulation of neutral molecules in non-polar media
Authors: Huang Guobao , Valkonen Arto , Rissanen Kari , Jiang Wei
Published: February 2016

Four endo-functionalized molecular tubes show high binding affinity and selectivity to neutral molecules.
Visible-light-induced regioselective synthesis of polyheteroaromatic compounds
Authors: Chatterjee Tanmay , Choi Myung Gil , Kim Jun , Chang Suk-Kyu , Cho Eun Jin
Published: February 2016

A method for visible-light-induced synthesis of heteroaryl-substituted polyheteroaromatics was developed.
A contact-lens-on-a-chip companion diagnostic tool for personalized medicine
Authors: Guan Allan , Wang Yi , Phillips K. Scott , Li Zhenyu
Published: February 2016

A microfluidic platform that integrates human tears with commercial contact lens materials and care products for personalized ophthalmology.
Optoelectrofluidic enhanced immunoreaction based on optically-induced dynamic AC electroosmosis
Authors: Han Dongsik , Park Je-Kyun
Published: February 2016

Surface-based immunoreaction is facilitated by reducing diffusion limitations via optically-induced AC electroosmosis.
Formation of square prism-shaped poly(o-phenylenediamine) fibers triggered by high ionic strength
Authors: Jiang Kunpeng , Ma Shenghua , Zhang Ying , Han Xiaojun
Published: February 2016

A simple bottom-up method to fabricate novel square prism-shaped poly(o-phenylenediamine) (PoPD) hierarchical fibers.
Thoroughly mesoporous TiO2 nanotubes prepared by a foaming agent-assisted electrospun template for photocatalytic applications
Authors: Lv Y. , Xu Z. L. , Asai H. , Shimada N. , Nakane K.
Published: February 2016

A thoroughly mesoporous long TiO2 nanotube with intact morphology was firstly prepared using a foaming agent-assisted electrospun template method for photocatalytic applications.
A highly efficient one-pot synthesis of indenopyridine-fused spirocyclic systems
Authors: Shakibaei Ghazaleh Imani , Bazgir Ayoob
Published: February 2016

Structurally diverse spirooxindols incorporating medicinally privileged indenopyridine moiety have been synthesized regioselectivelyviagreen multi-component reactions.
Heat-resistant polyurethane films with great electrostatic dissipation capacity and very high thermally reversible self-healing efficiency based on multi-furan and liquid multi-maleimide polymers
Authors: Fu Gaohui , Yuan Li , Liang Guozheng , Gu Aijuan
Published: February 2016

Thermally resistant polyurethane films with great electrostatic dissipation capacity and almost the highest thermally reversible self-healing efficiency were prepared based on unique polymers respectively with multi-furan (FPU) and multi-maleimide (HSiNCM).
Themed collection on immunological biomaterials: where materials meet the immune system in health and diseases
Authors: Roy Krishnendu
Published: February 2016

Guest editor Krishnendu Roy introduces this Journal of Materials Chemistry B themed collection on immunological biomaterials.
Side-chain engineering of green color electrochromic polymer materials: toward adaptive camouflage application
Authors: Yu Hongtao , Shao Shan , Yan Lijia , Meng Hong , He Yaowu , Yao Chao , Xu Panpan , Zhang Xiaotao , Hu Wenping , Huang Wei
Published: February 2016

The synthesised electrochromic polymers can exhibit a vegetable-green color at lower applied voltages and a soil-brown color in the oxidized-state, excellent solubility, superhydrophobicity, strong absorption, very fast switching times, and high stability.
The Use of Sound Level Meter Apps in the Clinical Setting
Authors: Fava Gaetano , Oliveira Gisele , Baglione Melody , Pimpinella Michael , Spitzer Jaclyn B.
Published: February 2016

Purpose

The purpose of this study was to compare sound level meter (SLM) readings obtained using a Larson-Davis (Depew, NY) Model 831 Type 1 SLM, a RadioShack (Fort Worth, TX) SLM, and iPhone 5 (Apple, Cupertino, CA) SLM apps.

Method

In Procedure 1, pure tones were measured in an anechoic chamber (125, 250, 500, 1000, 2000, 4000, and 8000 Hz); sound pressure levels (SPLs) ranged from 60 to 100 dB SPL in 10-dB increments. In Procedure 2, human voices were measured. Participants were 20 vocally healthy adults (7 women, 13 men; mean age = 25.1 years). The task was to sustain a vowel “ah” at 3 intensity levels: soft, habitual, and loud. Microphones were lined up equal distances from the participant's mouth, and recordings were captured simultaneously.

Results

Overall, the 3 SLM apps and the RadioShack SLM yielded inconsistent readings compared with the Type 1 SLM.

Conclusion

The use of apps for SPL readings in the clinical setting is premature because all 3 apps adopted were incomparable with the Type 1 SLM.
Stochastic model predictive control based on Gaussian processes applied to drinking water networks
Authors: Wang Ye , Ocampo‐Martinez Carlos , Puig Vicenç
Published: February 2016

This study focuses on developing a stochastic model predictive control (MPC) strategy based on Gaussian processes (GPs) for propagating system disturbances in a receding horizon way. Using a probabilistic system representation, the state trajectories considering the influence of disturbances can be obtained through the uncertainty propagation by using GPs. This fact allows obtaining the confidence intervals for state evolutions over the MPC prediction horizon that are included into the MPC objective function and constraints. The feasibility of the proposed MPC strategy considering the incorporated results of disturbance forecasting is also discussed. Simulation results obtained from the application of the proposed approach to the Barcelona drinking water network taking real demand data into account are presented. The comparison with the well‐known certainty‐equivalent MPC shows the effectiveness of the proposed stochastic MPC approach.
Synergistic effects of graphene–polyaniline counter electrode in dye‐sensitised solar cells
Authors: Loryuenyong Vorrada , Yaotrakool Sajjarinee , Prathumted Pratya , Lertsiri Julaluck , Buasri Achanai
Published: February 2016

This research studied the preparation of polyaniline/graphene hybrid material as a counter electrode in dye‐sensitised solar cells by drop casting onto fluorine‐doped tin oxide glass slides. Scanning electron microscope measurement revealed the rough surface of the hybrid films. The results have also shown that 1:2 ratio of PANI/graphene hybrid counter electrode provided a synergy that offered a comparable conversion efficiency to that of conventional Pt electrode.
An adaptive dual-optimal path-planning technique for unmanned air vehicles
Authors: Whitfield Clifford A.
Published: February 2016

A multi-objective technique for unmanned air vehicle path-planning generation through task allocation has been developed. The dual-optimal path-planning technique generates real-time adaptive flight paths based on available flight windows and environmental influenced objectives. The environmentally-influenced flight condition determines the aircraft optimal orientation within a downstream virtual window of possible vehicle destinations that is based on the vehicle’s kinematics. The intermittent results are then pursued by a dynamic optimization technique to determine the flight path. This path-planning technique is a multi-objective optimization procedure consisting of two goals that do not require additional information to combine the conflicting objectives into a single-objective. The technique was applied to solar-regenerative high altitude long endurance flight which can benefit significantly from an adaptive real-time path-planning technique. The objectives were to determine the minimum power required flight paths while maintaining maximum solar power for continual surveillance over an area of interest (AOI). The simulated path generation technique prolonged the flight duration over a sustained turn loiter flight path by approximately 2 months for a year of flight. The potential for prolonged solar powered flight was consistent for all latitude locations, including 2 months of available flight at 60° latitude, where sustained turn flight was no longer capable.
Decompressive Craniectomy for Viral Encephalitis: Two Case Reports
Authors: Caramanti Ricardo , Abib Eduardo , Moraes Dionei , Silva Eduardo , Rocha Carlos , Nogueira Fabiano
Published: February 2016

A decompressive craniectomy is a therapeutic modality not commonly used in cases of refractory intracranial hypertension due to viral encephalitis. In this article the authors present two cases of patients with viral encephalitis that have undergone decompressive craniectomy to control intracranial pressure. Both evolved with Glasgow outcome score of 4. The main clinical data for the surgical decision are Glasgow coma scale and the pupils of the patient associated with the imaging tests showing a large necrotic area and perilesional edema. The evolution of the patients undergoing decompression was satisfactory in 92.3% of cases.
Transient behavior of a supersonic three-dimensional micronozzle with an intersecting capillary
Authors: Matlis N. H. , Gonsalves A. J. , Steinke S. , van Tilborg J. , Shaw B. , Mittelberger D. E. , Geddes C. G. R. , Leemans W. P.
Published: February 2016

An analysis of the interaction between a pulsed, supersonic microjet and an intersecting gas-filled capillary is presented, which enables a direct measurement of the pressure evolution inside the nozzle of the microjet. Plasma-emission spectroscopy was used to resolve, on a sub-microsecond timescale, the build-up and decay of pressure in the nozzle, which are shown to be correlated to the volume of the plenum supplying the nozzle and to the nozzle-throat size, respectively. The microjet, which was integrated with a capillary-discharge waveguide in a sapphire structure, was used to create a small, tunable region of high density gas within a centimeter-scale plateau of lower-density for use in a laser-plasma accelerator. The resultant longitudinally structured gas-density profile has been used to provide control of electron trapping and acceleration, but its evolution has not previously been directly quantified. The results presented here pave the way for improved control of laser-plasma accelerators and are also relevant to applications such as miniature satellites and lab-on-a-chip where precise knowledge of microjet pressure evolution is critical.
Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach
Authors: Gil G. , Corni S. , Delgado A. , Bertoni A. , Goldoni G.
Published: February 2016

We develop a novel approach to treat excitation energy transfer in hybrid nanosystems composed by an organic molecule attached to a semiconductor nanoparticle. Our approach extends the customary Förster theory by considering interaction between transition multipole moments of the nanoparticle at all orders and a point-like transition dipole moment representing the molecule. Optical excitations of the nanoparticle are described through an envelope-function configuration interaction method for a single electron-hole pair. We applied the method to the prototypical case of a core/shell CdSe/ZnS semiconductor quantum dot which shows a complete suppression of the energy transfer for specific transitions which could not be captured by Förster theory.
Dielectric performance of polymer-based composites containing core-shell Ag@TiO2 nanoparticle fillers
Authors: Liang Fei , Zhang Lu , Lu Wen-Zhong , Wan Qian-Xing , Fan Gui-Fen
Published: February 2016

This paper reports composites prepared by embedding core-shell Ag@TiO2 fillers into polytetrafluoroethylene. Ag nanoparticles were homogeneously coated with TiO2, to give a shell thickness of approximately ∼8–10 nm. The composite containing Ag@TiO2 nanoparticles with rutile shells exhibited better dielectric properties than the composite containing Ag@TiO2 nanoparticles with anatase shells. The relative permittivity (εr) of the composite containing 70 vol. % filler was approximately 240 at 100 Hz, which was more than 100 times higher than that of pure polytetrafluoroethylene (εr = 2.1). An effective medium percolation theory model is used to account for the dielectric constant of the composite.
Modeling Recreation Demand When the Access Point Is Unknown
Authors: Ji Yongjie , Herriges Joseph A. , Kling Catherine L.
Published: February 2016

Not observing where an individual enters a geographically large recreation area complicates the task of modeling recreation demand. Traditionally, analysts have arbitrarily defined distances on the basis of the midpoint of a river or beach segment or on the basis of the nearest access point. In this article, we draw on the aggregation literature to generate a consistent framework for incorporating information on site characteristics and travel costs gathered at a finer level than that used to obtain trip counts. We use Monte Carlo experiments to illustrate the performance of the traditional midpoint and nearest access point approximations. Our results suggest that, while the nearest access point approach often provides a good approximation to underlying preferences, use of the midpoint approach can lead to significant bias in the travel cost parameter and corresponding welfare calculations. Finally, we use our approach to model recreation demand for the major river systems in Iowa using data from the 2009 Iowa Rivers and River Corridors Survey.
Comment on ‘Discovering hospital admission patterns using models learnt from electronic hospital records’. The importance of using the right codes
Authors: Lopez-Campos Guillermo H. , Martin-Sanchez Fernando , Gray Kathleen
Published: February 2016

Contact:  guillermo.lopez@unimelb.edu.au