bluuebunny/crossref_metadata_2025 huggingface dataset:
Accurate label-free reaction kinetics determination using initial rate heat measurements
Authors: Honarmand Ebrahimi Kourosh , Hagedoorn Peter-Leon , Jacobs Denise , Hagen Wilfred R.
Published: November 2015

Accurate label-free methods or assays to obtain the initial reaction rates have significant importance in fundamental studies of enzymes and in application-oriented high throughput screening of enzyme activity. Here we introduce a label-free approach for obtaining initial rates of enzyme activity from heat measurements, which we name initial rate calorimetry (IrCal). This approach is based on our new finding that the data recorded by isothermal titration calorimetry for the early stages of a reaction, which have been widely ignored, are correlated to the initial rates. Application of the IrCal approach to various enzymes led to accurate enzyme kinetics parameters as compared to spectroscopic methods and enabled enzyme kinetic studies with natural substrate, e.g. proteases with protein substrates. Because heat is a label-free property of almost all reactions, the IrCal approach holds promise in fundamental studies of various enzymes and in use of calorimetry for high throughput screening of enzyme activity.
Intravoxel Incoherent Motion Diffusion-weighted Magnetic Resonance Imaging for Monitoring the Early Response to ZD6474 from Nasopharyngeal Carcinoma in Nude Mouse
Authors: Cui Yanfen , Zhang Caiyuan , Li Xiaoming , Liu Huanhuan , Yin Bing , Xu Tianyong , Zhang Yong , Wang Dengbin
Published: November 2015

Early therapeutic effects of anti-angiogenic agent ZD6474 upon nasopharyngeal carcinoma (NPC) in nude mouse were monitored by using intravoxel incoherent motion (IVIM) diffusion-weighted imaging (DWI). Mice bearing NPC underwent IVIM DWI at baseline and after 1, 3 and 7 days of treatment with ZD6474 or vehicle (n = 12 per group). Parameters of apparent diffusion coefficient (ADC), true diffusion coefficient (D), perfusion fraction (f) and blood pseudodiffusion coefficient (D*) at different time points were compared between the two groups or within the treated group. In the treated group, the perfusion-related parameters f and D* of the tumors decreased significantly on day 1 while the diffusion-related parameters ADC and D were significantly higher beginning on day 3 compared with the control group. The decreases in f on day 1 and D* on day 3 were moderately correlated with the smaller tumor size change on day 7. Moderate correlations were established between MVD and f and D* as well as between increased TUNEL or decreased Ki-67 index and ADC and D. This study supports that IVIM DWI is sensitive to detect the ZD6474-induced changes in NPC in nude mouse and the f parameter could predict early response to anti-angiogenic treatment.
Piezoresistive AFM cantilevers surpassing standard optical beam deflection in low noise topography imaging
Authors: Dukic Maja , Adams Jonathan D. , Fantner Georg E.
Published: November 2015

Optical beam deflection (OBD) is the most prevalent method for measuring cantilever deflections in atomic force microscopy (AFM), mainly due to its excellent noise performance. In contrast, piezoresistive strain-sensing techniques provide benefits over OBD in readout size and the ability to image in light-sensitive or opaque environments, but traditionally have worse noise performance. Miniaturisation of cantilevers, however, brings much greater benefit to the noise performance of piezoresistive sensing than to OBD. In this paper, we show both theoretically and experimentally that by using small-sized piezoresistive cantilevers, the AFM imaging noise equal or lower than the OBD readout noise is feasible, at standard scanning speeds and power dissipation. We demonstrate that with both readouts we achieve a system noise of ≈0.3 Å at 20 kHz measurement bandwidth. Finally, we show that small-sized piezoresistive cantilevers are well suited for piezoresistive nanoscale imaging of biological and solid state samples in air.
Screening and transport in 2D semiconductor systems at low temperatures
Authors: Das Sarma S. , Hwang E. H.
Published: November 2015

Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover.
Novel, Synergistic Antifungal Combinations that Target Translation Fidelity
Authors: Moreno-Martinez Elena , Vallieres Cindy , Holland Sara L. , Avery Simon V.
Published: November 2015

There is an unmet need for new antifungal or fungicide treatments, as resistance to existing treatments grows. Combination treatments help to combat resistance. Here we develop a novel, effective target for combination antifungal therapy. Different aminoglycoside antibiotics combined with different sulphate-transport inhibitors produced strong, synergistic growth-inhibition of several fungi. Combinations decreased the respective MICs by ≥8-fold. Synergy was suppressed in yeast mutants resistant to effects of sulphate-mimetics (like chromate or molybdate) on sulphate transport. By different mechanisms, aminoglycosides and inhibition of sulphate transport cause errors in mRNA translation. The mistranslation rate was stimulated up to 10-fold when the agents were used in combination, consistent with this being the mode of synergistic action. A range of undesirable fungi were susceptible to synergistic inhibition by the combinations, including the human pathogens Candida albicans, C. glabrata and Cryptococcus neoformans, the food spoilage organism Zygosaccharomyces bailii and the phytopathogens Rhizoctonia solani and Zymoseptoria tritici. There was some specificity as certain fungi were unaffected. There was no synergy against bacterial or mammalian cells. The results indicate that translation fidelity is a promising new target for combinatorial treatment of undesirable fungi, the combinations requiring substantially decreased doses of active components compared to each agent alone.
High-temperature quantum anomalous Hall effect in honeycomb bilayer consisting of Au atoms and single-vacancy graphene
Authors: Han Yan , Wan Jian-Guo , Ge Gui-Xian , Song Feng-Qi , Wang Guang-Hou
Published: November 2015

The quantum anomalous Hall effect (QAHE) is predicted to be realized at high temperature in a honeycomb bilayer consisting of Au atoms and single-vacancy graphene (Au2-SVG) based on the first-principles calculations. We demonstrate that the ferromagnetic state in the Au2-SVG can be maintained up to 380 K. The combination of spatial inversion symmetry and the strong SOC introduced by the Au atoms causes a topologically nontrivial band gap as large as 36 meV and a QAHE state with Chern number C = −2. The analysis of the binding energy proved that the honeycomb bilayer is stable and feasible to be fabricated in experiment. The QAHEs in Ta2-SVG and other TM2-SVGs are also discussed.
Factors influencing the use of topical repellents: implications for the effectiveness of malaria elimination strategies
Authors: Gryseels Charlotte , Uk Sambunny , Sluydts Vincent , Durnez Lies , Phoeuk Pisen , Suon Sokha , Set Srun , Heng Somony , Siv Sovannaroth , Gerrets René , Tho Sochantha , Coosemans Marc , Peeters Grietens Koen
Published: November 2015

In Cambodia, despite an impressive decline in prevalence over the last 10 years, malaria is still a public health problem in some parts of the country. This is partly due to vectors that bite early and outdoors reducing the effectiveness of measures such as Long-Lasting Insecticidal Nets. Repellents have been suggested as an additional control measure in such settings. As part of a cluster-randomized trial on the effectiveness of topical repellents in controlling malaria infections at community level, a mixed-methods study assessed user rates and determinants of use. Repellents were made widely available and Picaridin repellent reduced 97% of mosquito bites. However, despite high acceptability, daily use was observed to be low (8%) and did not correspond to the reported use in surveys (around 70%). The levels of use aimed for by the trial were never reached as the population used it variably across place (forest, farms and villages) and time (seasons), or in alternative applications (spraying on insects, on bed nets, etc.). These findings show the key role of human behavior in the effectiveness of malaria preventive measures, questioning whether malaria in low endemic settings can be reduced substantially by introducing measures without researching and optimizing community involvement strategies.
Probing the gravitational Faraday rotation using quasar X-ray microlensing
Authors: Chen Bin
Published: November 2015

The effect of gravitational Faraday rotation was predicted in the 1950s, but there is currently no practical method for measuring this effect. Measuring this effect is important because it will provide new evidence for correctness of general relativity, in particular, in the strong field limit. We predict that the observed degree and angle of the X-ray polarization of a cosmologically distant quasar microlensed by the random star field in a foreground galaxy or cluster lens vary rapidly and concurrently with flux during caustic-crossing events using the first simulation of quasar X-ray microlensing polarization light curves. Therefore, it is possible to detect gravitational Faraday rotation by monitoring the X-ray polarization of gravitationally microlensed quasars. Detecting this effect will also confirm the strong gravity nature of quasar X-ray emission.
Trypanosoma cruzi P21: a potential novel target for chagasic cardiomyopathy therapy
Authors: Teixeira Thaise Lara , Machado Fabrício Castro , Alves da Silva Aline , Teixeira Samuel Cota , Borges Bruna Cristina , dos Santos Marlus Alves , Martins Flávia Alves , Brígido Paula Cristina , Rodrigues Adele Aud , Notário Ana Flávia Oliveira , Ferreira Bruno Antônio , Servato João Paulo Silva , Deconte Simone Ramos , Lopes Daiana Silva , Ávila Veridiana Melo Rodrigues , Araújo Fernanda de Assis , Tomiosso Tatiana Carla , Silva Marcelo José Barbosa , da Silva Claudio Vieira
Published: November 2015

Chagas disease, which is caused by the parasite Trypanosoma cruzi, is an important cause of cardiomyopathy in Latin America. It is estimated that 10%–30% of all infected individuals will acquire chronic chagasic cardiomyopathy (CCC). The etiology of CCC is multifactorial and involves parasite genotype, host genetic polymorphisms, immune response, signaling pathways and autoimmune progression. Herein we verified the impact of the recombinant form of P21 (rP21), a secreted T. cruzi protein involved in host cell invasion, on progression of inflammatory process in a polyester sponge-induced inflammation model. Results indicated that rP21 can recruit immune cells induce myeloperoxidase and IL-4 production and decrease blood vessels formation compared to controls in vitro and in vivo. In conclusion, T. cruzi P21 may be a potential target for the development of P21 antagonist compounds to treat chagasic cardiomyopathy.
Brain-specific epigenetic markers of schizophrenia
Authors: Wockner L F , Morris C P , Noble E P , Lawford B R , Whitehall V L J , Young R M , Voisey J
Published: November 2015

Epigenetics plays a crucial role in schizophrenia susceptibility. In a previous study, we identified over 4500 differentially methylated sites in prefrontal cortex (PFC) samples from schizophrenia patients. We believe this was the first genome-wide methylation study performed on human brain tissue using the Illumina Infinium HumanMethylation450 Bead Chip. To understand the biological significance of these results, we sought to identify a smaller number of differentially methylated regions (DMRs) of more functional relevance compared with individual differentially methylated sites. Since our schizophrenia whole genome methylation study was performed, another study analysing two separate data sets of post-mortem tissue in the PFC from schizophrenia patients has been published. We analysed all three data sets using the bumphunter function found in the Bioconductor package minfi to identify regions that are consistently differentially methylated across distinct cohorts. We identified seven regions that are consistently differentially methylated in schizophrenia, despite considerable heterogeneity in the methylation profiles of patients with schizophrenia. The regions were near CERS3, DPPA5, PRDM9, DDX43, REC8, LY6G5C and a region on chromosome 10. Of particular interest is PRDM9 which encodes a histone methyltransferase that is essential for meiotic recombination and is known to tag genes for epigenetic transcriptional activation. These seven DMRs are likely to be key epigenetic factors in the aetiology of schizophrenia and normal brain neurodevelopment.
Near infrared fluorescence-magnetic resonance dual-modal imaging with Cy5-labeled, Gd–Al co-doped mesoporous silica nanoparticles
Authors: Gao Ai , Zhang Dan , Yin Xue-Bo
Published: November 2015

We report a reliable and facile procedure to prepare near infrared fluorescence (NIRF)-magnetic resonance dual-modal imaging probes (DMIPs) using Cy5-labeled, Gd–Al co-doped mesoporous silica nanoparticles. High intensity NIRF and a relaxation rate (17.7 mM−1s−1) can be observed. Furthermore, the DMIPs in saline were injected into mice through the tail vein for imaging.
Platinum nanoparticles encapsulated metal–organic frameworks for the electrochemical detection of telomerase activity
Authors: Ling Pinghua , Lei Jianping , Jia Li , Ju Huangxian
Published: November 2015

A one-pot strategy was developed for the preparation of platinum nanoparticle encapsulated metal–organic frameworks as an electrocatalytic tracer for sensing telomerase activity.
Chirality transfer from graphene quantum dots
Authors: Vázquez-Nakagawa M. , Rodríguez-Pérez L. , Herranz M. A. , Martín N.
Published: November 2015

Graphene quantum dots covalently modified with enantiomerically pure R/S units provide chiral graphene quantum dots that, upon assembly with pyrene molecules, show a strong chiroptical response.
Chondroitin sulfate coated gold nanoparticles: a new strategy to resolve multidrug resistance and thromboinflammation
Authors: Gurav Deepanjali , Varghese Oommen P. , Hamad Osama A. , Nilsson Bo , Hilborn Jöns , Oommen Oommen P.
Published: November 2015

We have developed the first chondroitin sulfate polymer coated gold nanoparticles that can simultaneously overcome mulidrug resistance in cancer cells and suppress thromboinflammation triggered by the chemotherapeutic drug.
Crystal structure landscape of conformationally flexible organo-fluorine compounds
Authors: Mondal Pradip Kumar , Chopra Deepak
Published: November 2015

The crystal structure landscape of an unsubstituted benzanilide was generated and a number of hypothetical structures were accessed with experimentally obtained crystal structures of mono-, di-, tetra- and penta-fluorobenzanilides.
Photobleaching and stabilization of carbon nanodots produced by solvothermal synthesis
Authors: Wang Wenshuo , Damm Cornelia , Walter Johannes , Nacken Thomas J. , Peukert Wolfgang
Published: November 2015

In this work we performed a detailed investigation of the photostability of bottom-up produced carbon nanodots (CDs) prepared from citric acid and urea by solvothermal synthesis.
Characterizing the nanoclay induced constrained amorphous region in model segmented polyurethane–urea/clay nanocomposites and its implications on gas barrier properties
Authors: Rath Sangram K. , Sudarshan Kathi , Bhavsar Rupesh S. , Kharul Ulhas K. , Pujari Pradeep K. , Patri Manoranjan , Khakhar Devang V.
Published: November 2015

AFM images of the segmented PU/clay nanocomposite with labeling of various phases.
Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements
Authors: Tian Kun Viviana , Chass Gregory A. , Tommaso Devis Di
Published: November 2015

Increased fluorine content in (bio)cement-forming glasses raises structural rigidity at aluminium pivots and enhances fluoride diffusion.
Photoinduced charge separation in an oligophenylenevinylene-based Hamilton-type receptor supramolecularly associating two C60-barbiturate guests
Authors: Pagona G. , Stergiou A. , Gobeze H. B. , Rotas G. , D'Souza F. , Tagmatarchis N.
Published: November 2015

Ultrafast photoinduced charge separation in a C60/OPV/C60 superstructure formed upon multiple hydrogen bonding was achieved.
Enhanced visible and near infrared emissions via Ce3+to Ln3+energy transfer in Ln3+-doped CeF3nanocrystals (Ln = Nd and Sm)
Authors: Samanta Tuhin , Sarkar Shyam , Adusumalli Venkata. N. K. B. , Praveen Athma E. , Mahalingam Venkataramanan
Published: November 2015

We report the enhancement of both visible and near infrared (NIR) emissions from Nd3+ionsviaCe3+sensitization in colloidal nanocrystals for the first time.
Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands
Authors: Hanf Schirin , García-Rodríguez Raúl , Bond Andrew D. , Hey-Hawkins Evamarie , Wright Dominic S.
Published: November 2015

Substituents in the 6-position of the 2-pyridyl rings (py′) of neutral tris-pyridyl phosphanes of the type P(2-py′)3 constrain the coordination sphere of metal ions and provide promising 6-electron capping ligands.
Metal–organic-framework-engaged formation of Co nanoparticle-embedded carbon@Co9S8 double-shelled nanocages for efficient oxygen reduction
Authors: Hu Han , Han Lei , Yu Mengzhou , Wang Zhiyu , Lou Xiong Wen (David)
Published: November 2015

Rationally designed Co nanoparticle-embedded carbon@Co9S8 double-shelled nanocages exhibit excellent electrocatalytic performance for the oxygen reduction reaction.
An eco-friendly method for reclaimed silicon wafers from a photovoltaic module: from separation to cell fabrication
Authors: Park Jongsung , Kim Wangou , Cho Namjun , Lee Haksoo , Park Nochang
Published: November 2015

A sustainable method for reclaiming silicon (Si) wafers from an end-of-life photovoltaic module is examined in this paper.
Bio-chemicals from lignocellulose feedstock: sustainability, LCA and the green conundrum
Authors: Khoo H. H. , Ee W. L. , Isoni Valerio
Published: November 2015

This article discusses the environmental sustainability of bio-based or green chemicals and highlights various factors determining their “level of greenness”.
Underwater measurements using laser induced breakdown spectroscopy
Authors: Angel S. Michael , Bonvallet Joseph , Lawrence-Snyder Marion , Pearman William F. , Register Janna
Published: November 2015

New data is presented related to high-pressure underwater laser-induced breakdown spectroscopy measurements.
Analysis of ion doping profiles in Yb-doped fiber preforms using laser-induced breakdown spectroscopy
Authors: Li Jiaming , Guo Lianbo , Zhao Nan , Chen Qimeng , Wu Baoye , Wang Yibo , Li Xiangyou , Li Jinyan , Zeng Xiaoyan , Lu Yongfeng
Published: November 2015

This study describes ion doping profiling in Yb-doped fiber preforms using laser-induced breakdown spectroscopy assisted by a self-adaptive median filter.
Real-time modulated nanoparticle separation with an ultra-large dynamic range
Authors: Zeming Kerwin Kwek , Thakor Nitish V. , Zhang Yong , Chen Chia-Hung
Published: November 2015

Real-time nanoparticle separation in deterministic lateral displacement can be achieved by manipulating solution iconicity.
Computational prediction of secretion systems and secretomes of Brucella: identification of novel type IV effectors and their interaction with the host
Authors: Sankarasubramanian Jagadesan , Vishnu Udayakumar S. , Dinakaran Vasudevan , Sridhar Jayavel , Gunasekaran Paramasamy , Rajendhran Jeyaprakash
Published: November 2015

Secretion systems of Brucella, a facultative intracellular pathogen that cause brucellosis.
Nano-zirconia as an excellent nano support for immobilization of sulfonic acid: a new, efficient and highly recyclable heterogeneous solid acid nanocatalyst for multicomponent reactions
Authors: Amoozadeh Ali , Rahmani Salman , Bitaraf Mehrnoosh , Abadi Fatemeh Bolghan , Tabrizian Elham
Published: November 2015

Nano-zirconia-supported sulfonic acid as a novel, highly efficient and recyclable heterogeneous nanocatalyst is reported for the synthesis of multicomponent reactions.
Coherent transport through spin-crossover magnet Fe2complexes
Authors: Huang Jing , Xie Rong , Wang Weiyi , Li Qunxiang , Yang Jinlong
Published: November 2015

SCO magnet Fe2complexes are verified to display two-step spin transitions and their transport properties are explored.
Hg/Pt-catalyzed conversion of bromo alkynamines/alkynols to saturated and unsaturated γ-butyrolactams/lactones via intramolecular electrophilic cyclization
Authors: Kiran Kumar Yalla , Ranjith Kumar Gadi , Sridhar Reddy Maddi
Published: November 2015

An intramolecular electrophilic cyclization of bromo-alkynols/alkynamines is achieved for γ-butyrolactams, α,β-unsaturated γ-butyrolactones/lactams, α-bromoketone and oxazinones under ambient conditions.
Design, synthesis and anticancer activities of novel otobain derivatives
Authors: Li Zhongzhou , Su Hui , Yu Weiwei , Li Xinjun , Cheng Hao , Liu Mingyao , Pang Xiufeng , Zou Xinzhuo
Published: November 2015

Twenty novel racemic otobain derivatives have been designed and synthesized, among which compound 27g exhibited the most potent anticancer activity.
A concise synthesis of tubuphenylalanine and epi-tubuphenylalanine via a diastereoselective Mukaiyama aldol reaction of silyl ketene acetal
Authors: Park Yunjeong , Sim Mikyung , Chang Tong-Shin , Ryu Jae-Sang
Published: November 2015

A concise auxiliary-free synthetic route towards tBu-tubuphenylalanine (tBu-Tup) and tBu-epi-tubuphenylalanine (tBu-epi-Tup) has been developed via a diastereoselective Mukaiyama aldol reaction of silyl ketene acetal.
Correction: A mild and facile synthesis of polyfunctionalized pyridines: merging three-component cyclization and aerobic oxidation by amine/metal catalysts
Authors: Zhu Chunyin , Bi Benwei , Ding Ya , Zhang Te , Chen Qiu-Yun
Published: November 2015

Correction for ‘A mild and facile synthesis of polyfunctionalized pyridines: merging three-component cyclization and aerobic oxidation by amine/metal catalysts’ by Chunyin Zhu et al., Org. Biomol. Chem., 2015, 13, 6278–6285.
Correction: Unsymmetrical 1,1-diborated multisubstituted sp3-carbons formed via a metal-free concerted-asynchronous mechanism
Authors: Cuenca Ana B. , Cid Jessica , García-López Diego , Carbó Jorge J. , Fernández Elena
Published: November 2015

Correction for ‘Unsymmetrical 1,1-diborated multisubstituted sp3-carbons formed via a metal-free concerted-asynchronous mechanism’ by Ana B. Cuenca et al., Org. Biomol. Chem., 2015, 13, 9659–9664.
Synthesis and conductivity of hyperbranched poly(triazolium)s with various end-capping groups
Authors: Wu Jianhua , Chen Jie , Wang Junfang , Liao Xiaojuan , Xie Meiran , Sun Ruyi
Published: November 2015

Hyperbranched poly(triazolium)s bearing different terminal groups were synthesized, and displayed an elevated conductivity upon the introduction of various flexible end-capped groups and the increase of temperature.
Phosphor-free InGaN micro-pyramid white light emitting diodes with multilayer graphene electrode
Authors: Fu Binglei , Cheng Yan , Si Zhao , Wei Tongbo , Zeng Xionghui , Yuan Guodong , Liu Zhiqiang , Lu Hongxi , Yi Xiaoyan , Li Jinmin , Wang Junxi
Published: November 2015

We reported the combination of micro-pyramid active layers and graphene electrode to realize the phosphor-free InGaN based white light emitting diodes (LEDs).
Halide-aided controlled fabrication of Pt–Pd/graphene bimetallic nanocomposites for methanol electrooxidation
Authors: Vishwakshan Reddy G. , Raghavendra P. , Sri Chandana P. , Subramanyam Sarma L.
Published: November 2015

Herein, Pt–Pd/RGO bimetallic nanocomposites were synthesized through a halide-aided fabrication strategy. The Pt–Pd/RGO-15KI with its uniform dispersion exhibits improved methanol electro-oxidation activity compared to Pt–Pd/RGO-0KI.
Microfluidic-assisted cyclic mechanical stimulation affects cellular membrane integrity in a human muscular dystrophy in vitro model
Authors: Michielin F. , Serena E. , Pavan P. , Elvassore N.
Published: November 2015

The development of a microfluidic-based cell stretching device allows to investigate membrane permeability during cyclic mechanical stimulation in a human Duchenne Muscular Dystrophy skeletal musclein vitromodel.
Diversity-oriented reconstruction of primitive diketopiperazine-fused tetrahydro-β-carboline ring systems via Pictet–Spengler/Ugi-4CR/deprotection-cyclization reactions
Authors: Khan Irfan , Khan Shahnawaz , Tyagi Vikas , Chouhan Pradeep Singh , Chauhan Prem M. S.
Published: November 2015

An expedient construction of tetrahydro-β-carbolinediketopiperazine ring systems, which are present in various indole alkaloids, is documented.
Light-controlled switching of the self-assembly of ill-defined amphiphilic SP-PAMAM
Authors: Fu Shuang , Sun Hongcheng , Li Jiaxi , Bai Yushi , Luo Quan , Dong Zeyuan , Xu Jiayun , Liu Junqiu
Published: November 2015

Spiropyrans-decorated polyamidoamine (SP-P3) with ill-defined structures was successfully prepared for the construction of photocontrolled supramolecular macrorods.
A novel synthesis of porous graphene nanoarchitectures using silver nanoparticles for fabricating enzyme sensor
Authors: Liu Yidan , Liu Xiuhui , Li Ming , Liu Yuelin , Guo Zhipan , Xue Zhonghua , Lu Xiaoquan
Published: November 2015

The porous graphene (PGN) using silver nanoparticles (AgNPs) etching has been successfully prepared in this work, and applied as electrode materials for enzyme sensor.
A quick and easy synthesis of fluorescent iron oxide nanoparticles featuring a luminescent carbonaceous coating via in situ pyrolysis of organosilane ligands
Authors: Worden M. , Bergquist L. , Hegmann T.
Published: November 2015

We report a simple, two-step method for making magnetic, photoluminescent iron oxide (magnetite) core/carbonaceous shell nanoparticles emitting blue light.
Eu doped Si-oxynitride fluorescent nanofibrous inorganic membranes with high flexibility
Authors: Zhao Hailei , Cui Bo , Chen Zhenhua , Wang Hongzhi , Zhang Qinghong , Li Yaogang
Published: November 2015

Novel flexible SiO2-based fluorescent nanobelt membranes were successfully prepared by a simple and versatile electrospinning process combined with gas reduction nitridation. The excellent results indicate their potential in flexible display.
A carbon ion beam irradiated MWCNT/AuNPs composite sensor for a sensitive assay of purine-nucleosides of DNA
Authors: Gupta Pankaj , Rosy Rosy , Goyal Rajendra N.
Published: November 2015

Sensor for purine nucleosides has been developed using irradiation with high energy carbon ion beam.
Etching of unmodified Au@Ag nanorods: a tunable colorimetric visualization for the rapid and high selective detection of Hg2+
Authors: Yang Rong , Song Dan , Wang Chongwen , Zhu Anna , Xiao Rui , Liu Jingquan , Long Feng
Published: November 2015

A simple and cost-effective colorimetric approach based on unmodified Au@Ag nanorods (Au@Ag NRs) was developed for Hg2+ detection.
Promotional effects of cetyltrimethylammonium bromide surface modification on a hematite photoanode for photoelectrochemical water splitting
Authors: Li Qian , Antony Rajini P. , Wong Lydia Helena , Ng Dickon H. L.
Published: November 2015

A hematite nanorod array was treated with cetyltrimethylammonium bromide (CTAB) surfactant by a simple hydrothermal method.
Facile synthesis of highly ordered mesoporous cobalt–alumina catalysts and their application in liquid phase selective oxidation of styrene
Authors: Pan Dahai , Xu Qian , Dong Zhaoyang , Chen Shuwei , Yu Feng , Yan Xiaoliang , Fan Binbin , Li Ruifeng
Published: November 2015

We illustrate the preparation of highly ordered mesoporous cobalt–alumina catalysts with highly homogeneously dispersed Co(ii) species via an evaporation-induced triconstituent cooperative co-assembly method.
Superhydrophobic and anti-corrosion Cu microcones/Ni–W alloy coating fabricated by electrochemical approaches
Authors: Hu Fengtian , Xu Penghui , Wang Haozhe , Kang Un byoung , Hu Anmin , Li Ming
Published: November 2015

In this work, we present a simple method for fabricating the microstructured Cu/Ni–W alloy coating by combining electroless and electro deposition.
Side chain engineering in π-stacked polybenzofulvene derivatives bearing electron-rich chromophores for OLED applications
Authors: Cappelli Andrea , Razzano Vincenzo , Fabio Giuseppe , Paolino Marco , Grisci Giorgio , Giuliani Germano , Donati Alessandro , Mendichi Raniero , Mróz Wojciech , Villafiorita-Monteleone Francesca , Botta Chiara
Published: November 2015

Side chain engineering designed to introduce electron donating chromophores in the 3-phenylindene scaffold led to the discovery of a highly emissive polybenzofulvene derivative for OLED applications.
Tuning the surface properties of alloyed CdSxSe1−x 2D nanosheets
Authors: Maiti Pradipta Sankar , Bar Sadan Maya
Published: November 2015

Surface engineering and tuning of the optoelectronic properties of wurtzite CdSxSe1−x nanosheets by ligand exchange.
Continuous photoflow synthesis of precision polymers
Authors: Junkers T. , Wenn B.
Published: November 2015

Precision polymer design in continuous photoflow reactors is a young, yet rapidly growing research field. The potential of photopolymerization is demonstrated and future potential is discussed.
A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding
Authors: Retegan Marius , Krewald Vera , Mamedov Fikret , Neese Frank , Lubitz Wolfgang , Cox Nicholas , Pantazis Dimitrios A.
Published: November 2015

The identification of a unique intermediate in biological water oxidation establishes the water binding mechanism in the S2 to S3 state transition.
Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation
Authors: Rauch Michael , Ruccolo Serge , Mester John Paul , Rong Yi , Parkin Gerard
Published: November 2015

The terminal magnesium fluoride compound, [TpBut,Me]MgF, serves as a hydrogen bond and halogen bond acceptor for indole and C6F5I, and also reacts with Ph3CCl to form a C–F bond.
Linking coupled motions and entropic effects to the catalytic activity of 2-deoxyribose-5-phosphate aldolase (DERA)
Authors: Ma Huan , Szeler Klaudia , Kamerlin Shina C. L. , Widersten Mikael
Published: November 2015

Local mutations in the phosphate binding group of DERA alter global conformation dynamics, catalytic activities and reaction entropies.
Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+ half-pipe
Authors: Wood Christopher S. , Ronson Tanya K. , McConnell Anna J. , Roberts Derrick A. , Nitschke Jonathan R.
Published: November 2015

Low-symmetry metal–organic architectures that feature unusual binding motifs are useful for exploring new modes of guest recognition.
Structural, optical and charge generation properties of chalcostibite and tetrahedrite copper antimony sulfide thin films prepared from metal xanthates
Authors: Rath Thomas , MacLachlan Andrew J. , Brown Michael D. , Haque Saif A.
Published: November 2015

Chalcostibite and tetrahedrite thin films are prepared from solution on mesoporous TiO2 layers and photoinduced generation of long-lived charges is detected in these TiO2/copper antimony sulfide heterojunctions.
Novel Au inlaid Zn2SnO4/SnO2 hollow rounded cubes for dye-sensitized solar cells with enhanced photoelectric conversion performance
Authors: Li Bo , Guo Enyan , Wang Chengxiang , Yin Longwei
Published: November 2015

We developed a facile strategy for the fabrication of uniform Au inlaid Zn2SnO4/SnO2 hollow rounded cubes with an adjustable Au loading content using ZnSn(OH)6 as the precursor, chloroauric acid as the Au source and ascorbic acid as the reducing agent.
Graphene-directed two-dimensional porous carbon frameworks for high-performance lithium–sulfur battery cathodes
Authors: Shan Jieqiong , Liu Yuxin , Su Yuezeng , Liu Ping , Zhuang Xiaodong , Wu Dongqing , Zhang Fan , Feng Xinliang
Published: November 2015

2D nitrogen-doped porous carbon frameworks were constructedviaionothermal polymerization directed by functionalized graphene nanosheets for high performance Li–S battery cathodes.
A silver-inserted zinc rhodium oxide and bismuth vanadium oxide heterojunction photocatalyst for overall pure-water splitting under red light
Authors: Kobayashi Ryoya , Kurihara Kazuki , Takashima Toshihiro , Ohtani Bunsho , Irie Hiroshi
Published: November 2015

We have prepared a solid-state heterojunction photocatalyst, in which zinc rhodium oxide (ZnRh2O4) and bismuth vanadium oxide (Bi4V2O11) as hydrogen (H2) and oxygen (O2) evolution photocatalysts, respectively, were connected with silver (Ag, ZnRh2O4/Ag/Bi4V2O11).
New π-conjugated polymers as acceptors designed for all polymer solar cells based on imide/amide-derivatives
Authors: Li Yonghai , Yang Yang , Bao Xichang , Qiu Meng , Liu Zitong , Wang Ning , Zhang Guanxin , Yang Renqiang , Zhang Deqing
Published: November 2015

Two polymeric acceptors based on all imide/amide-derivatives were designed for all-PSCs and a PCE of 2.01% was obtained.
Injection‐locked oscillator lock detector
Authors: Buchanan N.B. , Fusco V.F.
Published: November 2015

A simple circuit that is able to indicate if an injection‐locked oscillator is in the locked condition by providing a ‘high’ or ‘low’ output is presented. The detector is compatible with most injection‐locked oscillators as all that is required is access to the low‐frequency bias circuit, with no direct access needed to the RF/microwave signals. To prove the universal nature of the lock detector it is successfully demonstrated practically for two scenarios: (i) a 1 GHz injection‐locked VCO and (ii) a 60 GHz SiGe VCO MMIC.
Coplanar waveguide bandpass filters with separated electric and magnetic couplings
Authors: Xiao Jian‐Kang , Zhu Min , Li Yong , Ma Jian‐Guo
Published: November 2015

New coplanar waveguide bandpass filters with controllable transmission zeros (TZs) have been developed by using separated electric and magnetic coupling paths. Either magnetic‐dominant coupling or electric‐dominant coupling generates a TZ, but different positions. Filter TZs are attributed to the electromagnetic couplings, and the additional coupling resonators are not required. The new designs have been demonstrated by an experiment. Advantages of the proposed filters are not only their simple and compact circuit topologies, miniature circuit sizes, but also their controllable TZs without requiring via hole.
Design methodology for wearable antenna on artificial magnetic conductor using stretch conductive fabric
Authors: Mantash M. , Tarot A.‐C. , Collardey S. , Mahdjoubi K.
Published: November 2015

The current practice for designing antennas over artificial magnetic conductor (AMC) is time and labour intensive. A novel methodology is described for saving time and effort in designing such antennas. The proposed method is based on using conductive fabric as a radiating element. The method is validated via the design of a textile dual‐band monopole antenna on AMC covering both WiFi and the 4G long term evolution (LTE) frequency bands.
MOSFET gate induced time domain noise simulation accuracy benchmarking
Authors: Noulis T.
Published: November 2015

Analysis of MOSFET gate induced transient noise simulation accuracy was performed and the limitation on accurately estimating MOSFET noise performance in the high frequency wireless communications region was identified, validating transient noise simulation against AC noise. The gate noise source is the only one that increases with frequency and this behaviour cannot be simulated accurately using SPECTRE/RF. To enable the design community to accurately simulate gate induced noise in nonlinear circuits, a simple and practical methodology to overcome this limitation is provided, using a highpass filtering‐based white noise source approach.
Efficient estimation method for targets with arbitrary parameterised motion
Authors: Cui Wei , Wu Shuang , Tian Jing , Liu Dacheng , Wu Siliang
Published: November 2015

An efficient parameter estimation method is proposed for manoeuvring targets with arbitrary parameterised motion. The core idea of the proposed method is based on a derived operation, namely, iterative scaled parametric correlation operation (ISPCO), which can directly present the two highest‐order Doppler spread parameters in the two‐dimensional parameter domain. By jointly applying ISPCO and dechirping operation, the motion parameters of different orders can be estimated iteratively without searching operation. The proposed method not only is computationally efficient, but also can achieve higher estimation accuracy and lower signal‐to‐noise ratio threshold than the popular methods based on recursive phase differentiation. Simulation results verify the validity of the proposed method.
Centralised against distributed medium access control scheduling for environmental monitoring sensors
Authors: Rathna R. , Dhanalakshmi R. , Sasipraba T.
Published: November 2015

The field of wireless sensor networks (WSNs), although started long back ago, has now reached its maximum usage in research and several kinds of monitoring and surveillance applications. Since the very small size and very low power working nature of the nodes, several challenges are faced by the entire network as a whole. Several scheduling and routing protocols were designed for the WSN. All of them are basically centralised or distributed in nature. For some of the well‐known scheduling protocols, their behaviour under centralised and distributed manner is detailed here. It also specifies which type of schedule is suitable for which type of application and using either centralised or distributed approach. The scheduling algorithm which is best suitable for radiation monitoring application is described and also been proved that it is more energy efficient comparing to the existing protocols.
Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials
Authors: Lindoy Lachlan P. , Kolmann Stephen J. , D’Arcy Jordan H. , Crittenden Deborah L. , Jordan Meredith J. T.
Published: November 2015

Finite temperature quantum and anharmonic effects are studied in H2–Li+-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H2. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H2 molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔUads, and enthalpy, ΔHads, for H2 adsorption onto Li+-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H2–Li+-benzene are the “helicopter” and “ferris wheel” H2 rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔUads and ΔHads are −13.3 ± 0.1 and −14.5 ± 0.1 kJ mol−1, respectively.
Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion
Authors: Soudackov Alexander V. , Hammes-Schiffer Sharon
Published: November 2015

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton transfer and proton-coupled electron transfer in chemical and biological processes.
Optimization of plasma parameters with magnetic filter field and pressure to maximize H− ion density in a negative hydrogen ion source
Authors: Cho Won-Hwi , Dang Jeong-Jeung , Kim June Young , Chung Kyoung-Jae , Hwang Y. S.
Published: November 2015

Transverse magnetic filter field as well as operating pressure is considered to be an important control knob to enhance negative hydrogen ion production via plasma parameter optimization in volume-produced negative hydrogen ion sources. Stronger filter field to reduce electron temperature sufficiently in the extraction region is favorable, but generally known to be limited by electron density drop near the extraction region. In this study, unexpected electron density increase instead of density drop is observed in front of the extraction region when the applied transverse filter field increases monotonically toward the extraction aperture. Measurements of plasma parameters with a movable Langmuir probe indicate that the increased electron density may be caused by low energy electron accumulation in the filter region decreasing perpendicular diffusion coefficients across the increasing filter field. Negative hydrogen ion populations are estimated from the measured profiles of electron temperatures and densities and confirmed to be consistent with laser photo-detachment measurements of the H− populations for various filter field strengths and pressures. Enhanced H− population near the extraction region due to the increased low energy electrons in the filter region may be utilized to increase negative hydrogen beam currents by moving the extraction position accordingly. This new finding can be used to design efficient H− sources with an optimal filtering system by maximizing high energy electron filtering while keeping low energy electrons available in the extraction region.
The boron-tailing myth in hydrogenated amorphous silicon solar cells
Authors: Stuckelberger M. , Park B.-S. , Bugnon G. , Despeisse M. , Schüttauf J.-W. , Haug F.-J. , Ballif C.
Published: November 2015

The boron-tailing effect in hydrogenated amorphous silicon (a-Si:H) solar cells describes the reduced charge collection specifically in the blue part of the spectrum for absorber layers deposited above a critical temperature. This effect limits the device performance of state-of-the art solar cells: For enhanced current density (reduced bandgap), the deposition temperature should be as high as possible, but boron tailing gets detrimental above 200 °C. To investigate this limitation and to show potential paths to overcome it, we deposited high-efficiency a-Si:H solar cells, varying the deposition temperatures of the p-type and the intrinsic absorber (i) layers between 150 and 250 °C. Using secondary ion mass spectroscopy, we study dedicated stacks of i-p-i layers deposited at different temperatures. This allows us to track boron diffusion at the p-i and i-p interfaces as they occur in the p-i-n and n-i-p configurations of a-Si:H solar cells for different deposition conditions. Finally, we prove step-by-step that the common explanation for boron tailing—boron diffusion from the p layer into the i layer leading to enhanced recombination—is not generally true and propose an alternative explanation for the experimentally observed drop in the external quantum efficiency at short wavelengths.
Low-dimensional representations of the three component loop braid group
Authors: Bruillard Paul , Chang Liang , Hong Seung-Moon , Plavnik Julia Yael , Rowell Eric C. , Sun Michael Yuan
Published: November 2015

Motivated by physical and topological applications, we study representations of the group LB3 of motions of 3 unlinked oriented circles in ℝ3. Our point of view is to regard the three strand braid group B3 as a subgroup of LB3 and study the problem of extending B3 representations. We introduce the notion of a standard extension and characterize B3 representations admitting such an extension. In particular we show, using a classification result of Tuba and Wenzl [Pacific J. Math. 197, 491–510 (2001)], that every irreducible B3 representation of dimension at most 5 has a (standard) extension. We show that this result is sharp by exhibiting an irreducible 6-dimensional B3 representation that has no extensions (standard or otherwise). We obtain complete classifications of (1) irreducible 2-dimensional LB3 representations, (2) extensions of irreducible 3-dimensional B3 representations, and (3) irreducible LB3 representations whose restriction to B3 has abelian image.