bluuebunny/crossref_metadata_2025 huggingface dataset:
Antimicrobial activity of iron oxide nanoparticle upon modulation of nanoparticle-bacteria interface
Authors: Arakha Manoranjan , Pal Sweta , Samantarrai Devyani , Panigrahi Tapan K. , Mallick Bairagi C. , Pramanik Krishna , Mallick Bibekanand , Jha Suman
Published: October 2015

Investigating the interaction patterns at nano-bio interface is a key challenge for safe use of nanoparticles (NPs) to any biological system. The study intends to explore the role of interaction pattern at the iron oxide nanoparticle (IONP)-bacteria interface affecting antimicrobial propensity of IONP. To this end, IONP with magnetite like atomic arrangement and negative surface potential (n-IONP) was synthesized by co-precipitation method. Positively charged chitosan molecule coating was used to reverse the surface potential of n-IONP, i.e. positive surface potential IONP (p-IONP). The comparative data from fourier transform infrared spectroscope, XRD and zeta potential analyzer indicated the successful coating of IONP surface with chitosan molecule. Additionally, the nanocrystals obtained were found to have spherical size with 10–20 nm diameter. The BacLight fluorescence assay, bacterial growth kinetic and colony forming unit studies indicated that n-IONP (<50 μM) has insignificant antimicrobial activity against Bacillus subtilis and Escherichia coli. However, coating with chitosan molecule resulted significant increase in antimicrobial propensity of IONP. Additionally, the assay to study reactive oxygen species (ROS) indicated relatively higher ROS production upon p-IONP treatment of the bacteria. The data, altogether, indicated that the chitosan coating of IONP result in interface that enhances ROS production, hence the antimicrobial activity.
Highly Effective Conductance Modulation in Planar Silicene Field Effect Devices Due to Buckling
Authors: Al-Dirini Feras , Hossain Faruque M. , Mohammed Mahmood A. , Nirmalathas Ampalavanapillai , Skafidas Efstratios
Published: October 2015

Silicene is an exciting two-dimensional material that shares many of graphene’s electronic properties, but differs in its structural buckling. This buckling allows opening a bandgap in silicene through the application of a perpendicular electric field. Here we show that this buckling also enables highly effective modulation of silicene’s conductance by means of an in-plane electric field applied through silicene side gates, which can be realized concurrently within the same silicene monolayer. We illustrate this by using silicene to implement Self-Switching Diodes (SSDs), which are two-dimensional field effect nanorectifiers realized within a single silicene monolayer. Our quantum simulation results show that the atomically-thin silicene SSDs, with sub-10 nm dimensions, achieve a current rectification ratio that exceeds 200, without the need for doping, representing a 30 fold enhancement over graphene SSDs. We attribute this enhancement to a bandgap opening due to the in-plane electric field, as a consequence of silicene’s buckling. Our results suggest that silicene is a promising material for the realization of planar field effect devices.
Molecular investigation of coexistent chronic myeloid leukaemia and peripheral T-cell lymphoma – a case report
Authors: Gruszka Alicja M. , Rabascio Cristina , Cannella Laura , Sammassimo Simona , Andreola Giovanna , Gregato Giuliana , Faretta Mario , Calleri Angelica , De Molfetta Rita , Pruneri Giancarlo , Bertolini Francesco , Alcalay Myriam
Published: October 2015

Chronic myeloid leukemia (CML) is a myeloproliferative neoplasm underlain by the formation of BCR-ABL1 – an aberrant tyrosine kinase – in the leukaemic blasts. Long-term survival rates in CML prior to the advent of tyrosine kinase inhibitors (TKIs) were dismal, albeit the incidence of secondary malignancies was higher than that of age-matched population. Current figures confirm the safety of TKIs with conflicting data concerning the increased risk of secondary tumours. We postulate that care has to be taken when distinguishing between coexisting, secondary-to-treatment and second in sequence, but independent tumourigenic events, in order to achieve an unbiased picture of the adverse effects of novel treatments. To illustrate this point, we present a case of a patient in which CML and peripheral T-cell lymphoma (PTCL) coexisted, although the clinical presentation of the latter followed the achievement of major molecular response of CML to TKIs.
High resolution structure of an M23 peptidase with a substrate analogue
Authors: Grabowska Maja , Jagielska Elzbieta , Czapinska Honorata , Bochtler Matthias , Sabala Izabela
Published: October 2015

LytM is a Staphylococcus aureus autolysin and a homologue of the S. simulans lysostaphin. Both enzymes are members of M23 metallopeptidase family (MEROPS) comprising primarily bacterial peptidoglycan hydrolases. LytM occurs naturally in a latent form, but can be activated by cleavage of an inhibitory N-terminal proregion. Here, we present a 1.45 Å crystal structure of LytM catalytic domain with a transition state analogue, tetraglycine phosphinate, bound in the active site. In the electron density, the active site of the peptidase, the phosphinate and the “diglycine” fragment on the P1′ side of the transition state analogue are very well defined. The density is much poorer or even absent for the P1 side of the ligand. The structure is consistent with the involvement of His260 and/or His291 in the activation of the water nucleophile and suggests a possible catalytic role for Tyr204, which we confirmed by mutagenesis. Possible mechanisms of catalysis and the structural basis of substrate specificity are discussed based on the structure analysis.
Phylum-wide analysis of genes/proteins related to the last steps of assembly and export of extracellular polymeric substances (EPS) in cyanobacteria
Authors: Pereira Sara B. , Mota Rita , Vieira Cristina P. , Vieira Jorge , Tamagnini Paula
Published: October 2015

Many cyanobacteria produce extracellular polymeric substances (EPS) with particular characteristics (e.g. anionic nature and presence of sulfate) that make them suitable for industrial processes such as bioremediation of heavy metals or thickening, suspending or emulsifying agents. Nevertheless, their biosynthetic pathway(s) are still largely unknown, limiting their utilization. In this work, a phylum-wide analysis of genes/proteins putatively involved in the assembly and export of EPS in cyanobacteria was performed. Our results demonstrated that most strains harbor genes encoding proteins related to the three main pathways: Wzy-, ABC transporter- and Synthase-dependent, but often not the complete set defining one pathway. Multiple gene copies are mainly correlated to larger genomes and the strains with reduced genomes (e.g. the clade of marine unicellular Synechococcus and Prochlorococcus), seem to have lost most of the EPS-related genes. Overall, the distribution of the different genes/proteins within the cyanobacteria phylum raises the hypothesis that cyanobacterial EPS production may not strictly follow one of the pathways previously characterized. Moreover, for the proteins involved in EPS polymerization, amino acid patterns were defined and validated constituting a novel and robust tool to identify proteins with similar functions and giving a first insight to which polymer biosynthesis they are related to.
Unusual spin dynamics in topological insulators
Authors: Dóra Balázs , Simon Ferenc
Published: October 2015

The dynamic spin susceptibility (DSS) has a ubiquitous Lorentzian form around the Zeeman energy in conventional materials with weak spin orbit coupling, whose spectral width characterizes the spin relaxation rate. We show that DSS has an unusual non-Lorentzian form in topological insulators, which are characterized by strong SOC and the anisotropy of the DSS reveals the orientation of the underlying spin texture of topological states. At zero temperature, the high frequency part of DSS is universal and increases in certain directions as ωd−1 with d = 2 and 3 for surface states and Weyl semimetals, respectively, while for helical edge states, the interactions renormalize the exponent as d = 2K − 1 with K the Luttinger-liquid parameter. As a result, spin relaxation rate cannot be deduced from the DSS in contrast to the case of usual metals, which follows from the strongly entangled spin and charge degrees of freedom in these systems.
Construction of a High-Density Genetic Map and Quantitative Trait Locus Mapping in the Sea Cucumber Apostichopus japonicus
Authors: Tian Meilin , Li Yangping , Jing Jing , Mu Chuang , Du Huixia , Dou Jinzhuang , Mao Junxia , Li Xue , Jiao Wenqian , Wang Yangfan , Hu Xiaoli , Wang Shi , Wang Ruijia , Bao Zhenmin
Published: October 2015

Genetic linkage maps are critical and indispensable tools in a wide range of genetic and genomic research. With the advancement of genotyping-by-sequencing (GBS) methods, the construction of a high-density and high-resolution linkage maps has become achievable in marine organisms lacking sufficient genomic resources, such as echinoderms. In this study, high-density, high-resolution genetic map was constructed for a sea cucumber species, Apostichopus japonicus, utilizing the 2b-restriction site-associated DNA (2b-RAD) method. A total of 7839 markers were anchored to the linkage map with the map coverage of 99.57%, to our knowledge, this is the highest marker density among echinoderm species. QTL mapping and association analysis consistently captured one growth-related QTL located in a 5 cM region of linkage group (LG) 5. An annotated candidate gene, retinoblastoma-binding protein 5 (RbBP5), which has been reported to be an important regulator of cell proliferation, was recognized in the QTL region. This linkage map represents a powerful tool for research involving both fine-scale QTL mapping and marker assisted selection (MAS) and will facilitate chromosome assignment and improve the whole-genome assembly of sea cucumber in the future.
Soft-tissue and dermal arrangement in the wing of an Early Cretaceous bird: Implications for the evolution of avian flight
Authors: Navalón Guillermo , Marugán-Lobón Jesús , Chiappe Luis M. , Luis Sanz José , Buscalioni Ángela D.
Published: October 2015

Despite a wealth of fossils of Mesozoic birds revealing evidence of plumage and other soft-tissue structures, the epidermal and dermal anatomy of their wing’s patagia remain largely unknown. We describe a distal forelimb of an enantiornithine bird from the Lower Cretaceous limestones of Las Hoyas, Spain, which reveals the overall morphology of the integument of the wing and other connective structures associated with the insertion of flight feathers. The integumentary anatomy and myological and arthrological organization of the new fossil is remarkably similar to that of modern birds, in which a system of small muscles, tendons and ligaments attaches to the follicles of the remigial feathers and maintains the functional integrity of the wing during flight. The new fossil documents the oldest known occurrence of connective tissues in association with the flight feathers of birds. Furthermore, the presence of an essentially modern connective arrangement in the wing of enantiornithines supports the interpretation of these primitive birds as competent fliers.
Chemical recognition of fruit ripeness in spider monkeys (Ateles geoffroyi)
Authors: Nevo Omer , Orts Garri Rosa , Hernandez Salazar Laura Teresa , Schulz Stefan , Heymann Eckhard W. , Ayasse Manfred , Laska Matthias
Published: October 2015

Primates are now known to possess well-developed olfactory sensitivity and discrimination capacities that can play a substantial role in many aspects of their interaction with conspecifics and the environment. Several studies have demonstrated that olfactory cues may be useful in fruit selection. Here, using a conditioning paradigm, we show that captive spider monkeys (Ateles geoffroyi) display high olfactory discrimination performance between synthetic odor mixtures mimicking ripe and unripe fruits of two wild, primate-consumed, Neotropical plant species. Further, we show that spider monkeys are able to discriminate the odor of ripe fruits from odors that simulate unripe fruits that become increasingly similar to that of ripe ones. These results suggest that the ability of spider monkeys to identify ripe fruits may not depend on the presence of any individual compound that mark fruit ripeness. Further, the results demonstrate that spider monkeys are able to identify ripe fruits even when the odor signal is accompanied by a substantial degree of noise.
Use of the second-generation antipsychotic, risperidone, and secondary weight gain are associated with an altered gut microbiota in children
Authors: Bahr S M , Tyler B C , Wooldridge N , Butcher B D , Burns T L , Teesch L M , Oltman C L , Azcarate-Peril M A , Kirby J R , Calarge C A
Published: October 2015

The atypical antipsychotic risperidone (RSP) is often associated with weight gain and cardiometabolic side effects. The mechanisms for these adverse events are poorly understood and, undoubtedly, multifactorial in etiology. In light of growing evidence implicating the gut microbiome in the host’s energy regulation and in xenobiotic metabolism, we hypothesized that RSP treatment would be associated with changes in the gut microbiome in children and adolescents. Thus, the impact of chronic (>12 months) and short-term use of RSP on the gut microbiome of pediatric psychiatrically ill male participants was examined in a cross-sectional and prospective (up to 10 months) design, respectively. Chronic treatment with RSP was associated with an increase in body mass index (BMI) and a significantly lower ratio of Bacteroidetes:Firmicutes as compared with antipsychotic-naïve psychiatric controls (ratio=0.15 vs 1.24, respectively; P<0.05). Furthermore, a longitudinal observation, beginning shortly after onset of RSP treatment, revealed a gradual decrease in the Bacteroidetes:Firmicutes ratio over the ensuing months of treatment, in association with BMI gain. Lastly, metagenomic analyses were performed based on extrapolation from 16S ribosomal RNA data using the software package, Phylogenetic Investigation of Communities by Reconstruction of Unobserved States (PICRUSt). Those data indicate that gut microbiota dominating the RSP-treated participants are enriched for pathways that have been implicated in weight gain, such as short-chain fatty acid production.
One-step synthesis of fluorescently labelled, single-walled carbon nanotubes
Authors: Guaragno Michelle L. , Gottardi Riccardo , Fedorchak Morgan V. , Roy Abhijit , Kumta Prashant N. , Little Steven R.
Published: October 2015

A facile, one-step esterification process to functionalize SWNT with fluorescein.
Room-temperature selective oxidation of 2-naphthol to BINOL using a Au/SrTiO3–H2O2catalytic system
Authors: Naya Shin-ichi , Hiramoto Yuta , Teranishi Miwako , Tada Hiroaki
Published: October 2015

Gold nanoparticle-loaded SrTiO3(Au/SrTiO3) effectively catalyzes the selective C–C bond formation between 2-naphthol molecules to yield BINOL in the presence of H2O2, and the catalytic activity increases with decreasing Au particle size (d) in the range 2.6 ≤d≤ 8.9 nm.
Photocatalytic activation of pyridine for addition reactions: an unconventional reaction feature between a photo-induced hole and electron on TiO2
Authors: Ma Dongge , Yan Yan , Ji Hongwei , Chen Chuncheng , Zhao Jincai
Published: October 2015

TiO2 photocatalysis has the ability to furnish a class of coordinated anti-Markovnikov addition reactions between vinylarenes and pyridines. Such pyridine addition reactions occur through a previously undescribed concerted pathway.
Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media
Authors: Li Guangfu , Guan Wei , Du Shuang , Zhu Dongxia , Shan Guogang , Zhu Xiaojuan , Yan Likai , Su Zhongmin , Bryce Martin R. , Monkman Andrew P.
Published: October 2015

Efficient aggregation-induced-phosphorescent-emission (AIPE) of an ionic Ir(iii) complex occurs when the counterion (PF6−) is exchanged specifically by ClO4−in aqueous media. As a result, a rapid, highly selective “turn-on” phosphorescent response to ClO4−is observed in aqueous media.
An open-framework beryllium phosphite with extra-large 18-ring channels
Authors: Wang Guo-Ming , Li Jin-Hua , Wei Li , Han Song-De , Zhao Xiao-Meng , Bao Zhen-Zhen
Published: October 2015

We report herein a 3D interrupted beryllium phosphite open-framework with a low density (1.594 g cm−3), which is the first case of a beryllium phosphite framework containing extra-large 18-ring channels.
Multi-slice nanostructured WS2@rGO with enhanced Li-ion battery performance and a comprehensive mechanistic investigation
Authors: Li Honglin , Yu Ke , Fu Hao , Guo Bangjun , Lei Xiang , Zhu Ziqiang
Published: October 2015

We studied the WS2 and reduced graphene oxide hybrid structure for use as anode material in lithium ion batteries. The composite delivered a significant enhanced reversible capacity and cycle stability compared with pristine WS2.
Intermolecular bonding of hemin in solution and in solid state probed by N K-edge X-ray spectroscopies
Authors: Golnak Ronny , Xiao Jie , Atak Kaan , Stevens Joanna S. , Gainar Adrian , Schroeder Sven L. M. , Aziz Emad F.
Published: October 2015

Characteristic X-ray absorption features indicate the extent of hemin intermolecular bonding interaction.
A new perspective on the process of intrinsic point defects in α-Al2O3
Authors: Xiang Xin , Zhang Guikai , Wang Xiaolin , Tang Tao , Shi Yan
Published: October 2015

First-principles plane-wave pseudopotential calculations have been performed to study the charge states and energetics of intrinsic point defects as vacancies, interstitials and antisite atoms in α-Al2O3, and thus a new perspective on the process of intrinsic point defects has been proposed.
Acidity of two-dimensional zeolites
Authors: Rybicki Marcin , Sauer Joachim
Published: October 2015

For electrostatics, ultra-thin zeolite layers have a higher acidity (lower deprotonation energy) than their bulk counterparts with the same composition.
Panoscopically optimized thermoelectric performance of a half-Heusler/full-Heusler based in situ bulk composite Zr0.7Hf0.3Ni1+xSn: an energy and time efficient way
Authors: Bhardwaj A. , Chauhan N. S. , Sancheti Bhagyashree , Pandey G. N. , Senguttuvan T. D. , Misra D. K.
Published: October 2015

Panoscopic strategy derivedviacomposition engineering approach has been extented to HH based materials for the optimization of highZT.
Suppressing interfacial water signals to assist the peak assignment of the N+–H stretching mode in sum frequency generation vibrational spectroscopy
Authors: Nguyen Khoi Tan , Nguyen Anh V.
Published: October 2015

This study provides experimental evidence that the 3080 cm−1 peak is from the N+–H vibrations, while the 3330 cm−1 peak is not due to ammonium species but rather originates from the interfacial water vibrational modes or the backbone amide modes.
Measurement of the molar mass of the 28Si-enriched silicon crystal (AVO28) with HR-ICP-MS
Authors: Ren Tongxiang , Wang Jun , Zhou Tao , Lu Hai , Zhou Yuan-jing
Published: October 2015

Accurate molar mass measurement of the highly 28Si-enriched crystal (AVO28) plays a crucial role in the accurate determination of the Avogadro constant and thus the new definition of the kilogram.
Antisite defects in layered multiferroic CuCr0.9In0.1P2S6
Authors: He Qian , Belianinov Alex , Dziaugys Andrius , Maksymovych Petro , Vysochanskii Yulian , Kalinin Sergei V. , Borisevich Albina Y.
Published: October 2015

CuCr1−xInxP2S6 compounds are promising candidates for 2D materials with additional functionalities such as ferroelectricity. Quantitative STEM-HAADF studies found that in addition to isovalently replacing Cr3+, In3+ dopants can also occupy Cu+ sites, forming antisite defects.
A diphenyl ether derived bidentate secondary phosphine oxide as a preligand for nickel-catalyzed C–S cross-coupling reactions
Authors: Wellala Nadeesha P. N. , Guan Hairong
Published: October 2015

A bidentate secondary phosphine oxide is a more effective preligand than Ph2P(O)H in nickel-catalyzed C–S cross-coupling reactions.
Regio- and stereoselective construction of stimuli-responsive macromolecules by a sequential coupling-hydroamination polymerization route
Authors: Deng Haiqin , He Zikai , Lam Jacky W. Y. , Tang Ben Zhong
Published: October 2015

Sequential coupling-hydroamination polymerization towards stimuli-responsive polymers.
Catalytic application of SO42−/Fe–ZrO2nanoparticles synthesized by a urea hydrolysis method for environmentally benign one pot synthesis of 1,8-dioxodecahydroacridines
Authors: Pradhan Sagnika , Mishra B. G.
Published: October 2015

A series of sulfate grafted Fe2O3–ZrO2mixed oxides (SFexZr) were prepared by urea hydrolysis method and studied as heterogeneous catalyst for synthesis of structurally diverse 1,8-dioxodecahydroacridines.
Kondo-like electronic transport and ferromagnetic cluster-glass behavior in La0.7Sr0.3MnO3nanostructures
Authors: Reshi Hilal Ahmad , Pillai Shreeja , Yadav Rama Shanker , Para Touseef Ahmad , Deshpande U. P. , Shripathi T. , Shelke Vilas
Published: October 2015

We have studied the electronic transport and magnetic properties of a nanocrystalline La0.7Sr0.3MnO3system. We observed low temperature Kondo effect with magnetic cluster behavior.
In situ growth of nickel selenide nanowire arrays on nickel foil for methanol electro-oxidation in alkaline media
Authors: Luo Qiong , Peng Mingying , Sun Xuping , Asiri Abdullah M.
Published: October 2015

NiSe nanowire arrays solvothermally grown on nickel foil behave as an efficient 3D anode for electro-catalytic oxidation of methanol in alkaline media with strong durability.
Plant-mediated synthesis of Au–Pd alloy nanoparticles supported on MnO2nanostructures and their application toward oxidation of 5-(hydroxymethyl)furfural
Authors: Zhu Yaoqin , Lu Ming
Published: October 2015

The bio-reduction of Au(iii) and Pd(ii) was first applied to the loading process. Au–Pd/MnO2was first applied in oxidation of HMF. The effects of Au–Pd molar ratio and the support morphology on the catalysis were discussed.
Bronsted acid-type biosurfactant for heterocyclization: a green protocol for benzopyran synthesis
Authors: Morbale Smita T. , Jadhav Swati D. , Deshmukh Madhukar B. , Patil Suresh S.
Published: October 2015

Synthesis of benzopyran from the various salicylaldehydes and cyclic 1,3-diketones using catalytic amount of lemon extract as a green biosurfactant.
Underwater low adhesive hydrogel-coated functionally integrated device by a one-step solution-immersion method for oil–water separation
Authors: Chen Baiyi , Ju Guannan , Sakai Eiichi , Qiu Jianhui
Published: October 2015

To handle serious oil spills, many strategies have been proposed to design novel materials for oil–water separation.
Effect of graphene and Au@SiO2 core–shell nano-composite on photoelectrochemical performance of dye-sensitized solar cells based on N-doped titania nanotubes
Authors: Chandrasekhar P. S. , Komarala Vamsi K.
Published: October 2015

We have investigated the role of graphene and Au@SiO2 core–shell nano-composite (NC), on the performance of dye-sensitized solar cells (DSSC) based on nitrogen doped TiO2 nanotubes (N-TNTs) as photoanodes.
Activated nanoporous carbon–gold nanoparticle composite electrode with enhanced volumetric capacitance
Authors: Ávila-Brande David , Arenas-Esteban Daniel , Otero-Díaz L. Carlos , Guerrero-Martínez Andrés , Tardajos Gloria , Carretero-González Javier
Published: October 2015

A novel preparation route of an activated nanoporous carbon, produced from abundant biomass, containing a fine dispersion of gold nanoparticles within the carbon microstructure and its application as a supercapacitor electrode material is presented.
Mechanochemical destruction of a chlorinated polyfluorinated ether sulfonate (F-53B, a PFOS alternative) assisted by sodium persulfate
Authors: Yan Xue , Liu Xitao , Qi Chengdu , Wang Dali , Lin Chunye
Published: October 2015

Persulfate (PS) can be activated by NaOH and the PS–NaOH assisted mechanochemical destruction method is effective for the degradation of F-53B.
Defect-assisted saturable absorption characteristics in Mn doped ZnO nano-rods
Authors: Singh Avanendra , Kumar Samir , Das Ritwick , Sahoo Pratap K.
Published: October 2015

After reaching a threshold doping level of Mn, it is possible to alter from two photon absorption to saturable absorption in ZnO nanorods.
Extraction of preformed graphene oxide from coal: its clenched fist form entrapping large molecules
Authors: Pakhira Bholanath , Ghosh Subrata , Maity Sheli , Sangeetha D. N. , Laha Ankita , Allam Afreen , Sarkar Sabyasachi
Published: October 2015

Graphene oxide has been extracted from low grade coal or wood charcoal. The clenched and open fist forms of GO are related to pH and enable GO to act as Trojan horse in carrying and delivering a drug molecule under a physio-compatible environment.
Electrical and optical polarization responses of composite films based on aligned carbon nanotubes
Authors: Wen Yuejiang , Xu Xiangdong , Sun Minghui , He Qiong , Wang Meng , Gu Yu , Jiang Yadong , Dai Zelin , Chen Zhegeng , Ao Tianhong
Published: October 2015

A simple and efficient approach for large-area preparation of horizontally-aligned carbon nanotube (CNT)–vanadium oxide (VOx) composite films is presented. The as-prepared composite films particularly exhibit electrical and optical anisotropies.
Azo dye functionalized graphene nanoplatelets for selective detection of bisphenol A and hydrogen peroxide
Authors: Yasri Nael G. , Sundramoorthy Ashok K. , Gunasekaran Sundaram
Published: October 2015

A new electrochemical sensor is developed based on graphene nanoplatelets functionalized with tri-azo dye (direct blue 71) for selective and highly sensitive detection of bisphenol A and hydrogen peroxide in pH 7 phosphate buffered saline solution.
Synthesis of 4,5,6-trisubstituted-1,3-dihydroisobenzofurans by virtue of palladium-catalyzed domino carbopalladation of bromoenynes and internal alkynes
Authors: Ghosh Munmun , Singha Raju , Dhara Shubhendu , Ray Jayanta K.
Published: October 2015

An efficient hetero-annulation protocol has been developed for the construction of 4,5,6-trisubstituted-1,3-dihydroisobenzofuransviapalladium-catalyzed domino carbopalladation of bromoenynes and internal alkynes.
Calcination temperature-dependent surface structure and physicochemical properties of magnesium oxide
Authors: Zhang Xiaoling , Zheng Yajun , Feng Xiaoqin , Han Xiaoxiao , Bai Zongquan , Zhang Zhiping
Published: October 2015

The electrochemical performance of MgO particles is highly dependent on their crystal structures resulting from calcination at different temperatures.
An efficient strategy to develop microwave shielding materials with enhanced attenuation constant
Authors: Pawar Shital Patangrao , Bhingardive Viraj , Jadhav Ajinkya , Bose Suryasarathi
Published: October 2015

PMMA wrapped MWNTs were employed to design microwave shielding materials with enhanced attenuation constant in PC/SAN blends.
Synthesis and fluorescence properties of a boron-dipyrrin functionalized perylenediimide derivative
Authors: Cheng Huan-ren , Qian Ying , Yang Yang , Liu Hui-ling
Published: October 2015

A dual-channel dendritic chemosensor for Hg2+ with high FRET efficiency was designed and synthesized.
Utilization of a PNA-peptide conjugate to induce a cancer protease-responsive RNAi effect
Authors: Lee Eun Kyung , Kim Chan Woo , Kawanami Hiroyuki , Kishimura Akihiro , Niidome Takuro , Mori Takeshi , Katayama Yoshiki
Published: October 2015

We designed a new siRNA system which turns on RNAi responding to a cancer cell-specific protease by using a peptide nucleic acid (PNA)-peptide conjugate.
Covalent modification of graphene as a 2D nanofiller for enhanced mechanical performance of poly(glutamate) hybrid gels
Authors: Li Hang , Shi Ling-Ying , Cui Wei , Lei Wei-Wei , Zhang Yu-Lin , Diao Yong-Fu , Ran Rong , Ni Wei
Published: October 2015

Covalently functionalized graphene via grafting of poly(glutamate) as interfacial adhesive junctions may show sustainable potential in more robust polypeptide hybrid organogels.
A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols
Authors: Huang Zheng , Askari Mohammad S. , Esguerra Kenneth Virgel N. , Dai Tian-Yang , Kwon Ohhyeon , Ottenwaelder Xavier , Lumb Jean-Philip
Published: October 2015

We report a bio-inspired approach to the synthesis of oxindoles, which couples the energetic requirements of dehydrogenative C–N bond formation to the reduction of oxygen.
Unique post-translational oxime formation in the biosynthesis of the azolemycin complex of novel ribosomal peptides from Streptomyces sp. FXJ1.264
Authors: Liu Ning , Song Lijiang , Liu Minghao , Shang Fei , Anderson Zoe , Fox David J. , Challis Gregory L. , Huang Ying
Published: October 2015

The flavin-dependent monooxygenase AzmF catalyses posttranslational oxime formation during biosynthesis of the azolemycin complex of novel ribosomal peptide natural products.
A NIR dye with high-performance n-type semiconducting properties
Authors: Xie Jiajun , Shi Ke , Cai Kang , Zhang Di , Wang Jie-Yu , Pei Jian , Zhao Dahui
Published: October 2015

A novel hetero-polycyclic aromatic compound showing strong NIR absorption and high-performance n-type semiconducting properties is developed. A special metal-free C–C coupling serves as a pivotal step in constructing the polycyclic π-framework.
A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols
Authors: Gati Wafa , Yamamoto Hisashi
Published: October 2015

“Super silyl” governed diastereoselective Mukaiyama aldol reaction for the construction of protected α,β-dioxyaldehydes and 1,2,3-triols via Lewis acid catalysis.
Brownian microhydrodynamics of active filaments
Authors: Laskar Abhrajit , Adhikari R.
Published: October 2015

Slender bodies capable of spontaneous motion in the absence of external actuation in an otherwise quiescent fluid are common in biological, physical and technological contexts. We compute the motion of such bodies by modelling them as active filaments that produce spontaneous flow in the surrounding fluid.
Modulation of partition and localization of perfume molecules in sodium dodecyl sulfate micelles
Authors: Fan Yaxun , Tang Haiqiu , Strand Ross , Wang Yilin
Published: October 2015

Aggregation behavior of surfactants is related to the corresponding structures of perfume molecules in terms of micellar structures, partitioning and localization of perfumes, and thermodynamic parameters of the interaction process.
Oxygen non-stoichiometry, conductivity and gas sensor response of SnO2pellets
Authors: Alagdal Ibtessam A. , West Anthony R.
Published: October 2015

Sensitivity of SnO2to different dry and wet gases.
Triple-walled SnO2@N-doped carbon@SnO2 nanotubes as an advanced anode material for lithium and sodium storage
Authors: Yue Jie , Wang Wenpeng , Wang Nana , Yang Xianfeng , Feng Jinkui , Yang Jian , Qian Yitai
Published: October 2015

Triple-walled SnO2@N-doped carbon@SnO2 nanotubes combine the good electronic conductivity and hollow structure from N-doped carbon, and the high-density loading from SnO2 nanoparticles, achieving superior electrochemical performance for lithium and sodium storage.
Solvothermally induced α-Fe2O3/graphene nanocomposites with ultrahigh capacitance and excellent rate capability for supercapacitors
Authors: Zhang Hang , Gao Qiuming , Yang Kai , Tan Yanli , Tian Weiqian , Zhu Lihua , Li Zeyu , Yang Chunxiao
Published: October 2015

Well crystallized Fe2O3 with the particle size mainly concentrated around 35–40 nm combined with graphene is fabricated under solvothermal conditions.
A Fe-doped Ni3S2particle film as a high-efficiency robust oxygen evolution electrode with very high current density
Authors: Cheng Ningyan , Liu Qian , Asiri Abdullah M. , Xing Wei , Sun Xuping
Published: October 2015

A Fe-doped Ni3S2particle film grown on nickel foam (Fe11.8%-Ni3S2/NF) behaves as a high-efficiency and robust oxygen evolution electrode in strongly alkaline solution.
Ni–Zn binary system hydroxide, oxide and sulfide materials: synthesis and high supercapacitor performance
Authors: Wang Xiaobing , Hu Jiangjiang , Liu Weidong , Wang Guoyong , An Jian , Lian Jianshe
Published: October 2015

Based on a modified interface method, Ni–Zn system materials (NixZn1−xOH, NiO–ZnO and NixZn1−xS) were facile synthesized and studied systematically.
Tunable plasmonic surfaces via colloid assembly
Authors: Honold T. , Volk K. , Rauh A. , Fitzgerald J. P. S. , Karg M.
Published: October 2015

Homogeneous, cm-scale, plasmonic monolayers with defined plasmon resonance positions and intensities are fabricated by interface assembly of core–shell colloids.
Factors Affecting Early Services for Children Who Are Hard of Hearing
Authors: Harrison Melody , Page Thomas A. , Oleson Jacob , Spratford Meredith , Unflat Berry Lauren , Peterson Barbara , Welhaven Anne , Arenas Richard M. , Moeller Mary Pat
Published: October 2015

Purpose

To describe factors affecting early intervention (EI) for children who are hard of hearing, we analyzed (a) service setting(s) and the relationship of setting to families' frequency of participation, and (b) provider preparation, caseload composition, and experience in relation to comfort with skills that support spoken language for children who are deaf and hard of hearing (CDHH).

Method

Participants included 122 EI professionals who completed an online questionnaire annually and 131 parents who participated in annual telephone interviews.

Results

Most families received EI in the home. Family participation in this setting was significantly higher than in services provided elsewhere. EI professionals were primarily teachers of CDHH or speech-language pathologists. Caseload composition was correlated moderately to strongly with most provider comfort levels. Level of preparation to support spoken language weakly to moderately correlated with provider comfort with 18 specific skills.

Conclusions

Results suggest family involvement is highest when EI is home-based, which supports the need for EI in the home whenever possible. Access to hands-on experience with this population, reflected in a high percentage of CDHH on providers' current caseloads, contributed to professional comfort. Specialized preparation made a modest contribution to comfort level.
Image dehazing using two‐dimensional canonical correlation analysis
Authors: Wang Liqian , Xiao Liang , Wei Zhihui
Published: October 2015

Image dehazing is an important issue that interests both image processing and computer vision. In this study, image dehazing is modelled as an example‐based learning problem, and a novel dehazing algorithm using two‐dimensional (2D) canonical correlation analysis (CCA) is proposed. By assuming that the hazy‐free image patches are smooth and the pixel intensities in the same patch are approximate to constant, the authors deduce an underlying linear correlation between the observed hazy image patches and corresponding transmission patches. By maximising the correlation between the patch‐pairs of hazy image and corresponding transmission map, 2D CCA is able to learn a subspace to reconstruct the reliable transmission. Thus, given a test hazy image, the transmission map is aggregated by the nearest neighbour patches in the subspace and then globally refined by a local mean adaptive guided filter. The final hazy‐free image is obtained by using the dichromatic atmospheric model. Experimental results demonstrate the efficiency of the proposed method in single image dehazing.
Multiple distributed generation units allocation in distribution network for loss reduction based on a combination of analytical and genetic algorithm methods
Authors: Vatani Mohammadreza , Solati Alkaran Davood , Sanjari Mohammad Javad , Gharehpetian Gevork B.
Published: October 2015

Many methods have been proposed to determine the optimal location and capacities of distributed generation (DG) units to reach the lowest value for system losses. In this study, the combination of analytical and genetic algorithm methods is used for optimal allocation of multiple DGs in a distribution network to minimise the system losses. This combination guarantees the convergence accuracy and speed in multiple DG units allocation. In this study, the DGs active power, power factor, and location are simultaneously considered during distribution network losses minimisation. The utility will dictate only the maximum DG power generation if the DG is installed by DG owner. However, both of the size and the location of DG will be determined by the utility if the DG is installed by it. The proposed method is applied to 33‐bus and 69‐bus test distribution systems. Simulation results show that the proposed method results in lower losses compared with the other methods.
Improvement of the simultaneous active and reactive power markets pricing and structure
Authors: Ahmadi Hamed , Akbari Foroud Asghar
Published: October 2015

Reactive power markets have received special attention in recent years due to the importance of reactive power for maintaining network stability and freeing up the capacity of transmission lines. Hence, this study tries to improve this market and encourage fair competence in reactive electrical power generation through improving the unit pricing process. On the other hand, simultaneous active and reactive power markets are implemented by this study in order to account for energy market and reactive power market interactions. A new structure for paying lost opportunity costs to reactive power producers is presented here which is aimed for improving this market. Additionally, considering local nature of reactive power, the new method of holding simultaneous market using regional reactive power is proposed and pertaining results are compared with separate, non‐local market. Finally, the effect of increments in prices proposed by effective units in reactive power market on implementation costs have been compared with separate and simultaneous markets, in order to investigate efficiency of active and reactive simultaneous markets.
Flexible transmission expansion planning associated with large‐scale wind farms integration considering demand response
Authors: Li Chengxin , Dong ZhaoYang , Chen Guo , Luo Fengji , Liu Junyong
Published: October 2015

With increasing large‐scale wind farms being integrated into the power grids, transmission expansion planning (TEP) increasingly requires more flexibility to account for the intermittency as well as other uncertainty factors involved in the process. In this study, a probabilistic TEP model is proposed for planners to tackle the variability and uncertainty factors associated with grid connected wind farms. Both load forecast and wind power output uncertainties are considered in the proposed model. Other factors considered in the model include the forced outage rates of transmission lines and generators, and the wind speed correlation between wind farms. Moreover, the incentive‐based demand response (IBDR) program is introduced as a non‐network solution instead of the conventional network expansion approaches. The utilities will pay IBDR providers for their contributions to peak demand reduction. The proposed TEP model can find the optimal trade‐off between transmission investment and demand response expenses. The hierarchical Bender's decomposition algorithm integrated with Monte Carlo simulation is employed to solve the proposed model. Case studies are given using the Garver's six‐bus system and the IEEE‐reliability test system to show the effectiveness of the method.
Constrained inference of protein interaction networks for invadopodium formation in cancer
Authors: Wang Haizhou , Leung Ming , Wandinger‐Ness Angela , Hudson Laurie G. , Song Mingzhou
Published: October 2015

Integrating prior molecular network knowledge into interpretation of new experimental data is routine practice in biology research. However, a dilemma for deciphering interactome using Bayes’ rule is the demotion of novel interactions with low prior probabilities. Here the authors present constrained generalised logical network (CGLN) inference to predict novel interactions in dynamic networks, respecting previously known interactions and observed temporal coherence. It encodes prior interactions as probabilistic logic rules called local constraints, and forms global constraints using observed dynamic patterns. CGLN finds constraint‐satisfying trajectories by solving a k ‐stops problem in the state space of dynamic networks and then reconstructs candidate networks. They benchmarked CGLN on randomly generated networks, and CGLN outperformed its alternatives when 50% or more interactions in a network are given as local constraints. CGLN is then applied to infer dynamic protein interaction networks regulating invadopodium formation in motile cancer cells. CGLN predicted 134 novel protein interactions for their involvement in invadopodium formation. The most frequently predicted interactions centre around focal adhesion kinase and tyrosine kinase substrate TKS4, and 14 interactions are supported by the literature in molecular contexts related to invadopodium formation. As an alternative to the Bayesian paradigm, the CGLN method offers constrained network inference without requiring prior probabilities and thus can promote novel interactions, consistent with the discovery process of scientific facts that are not yet in common beliefs.
Structural and practical identifiability analysis of S‐system
Authors: Zhan Choujun , Li Benjamin Yee Shing , Yeung Lam Fat
Published: October 2015

In the field of systems biology, biological reaction networks are usually modelled by ordinary differential equations. A sub‐class, the S‐systems representation, is a widely used form of modelling. Existing S‐systems identification techniques assume that the system itself is always structurally identifiable. However, due to practical limitations, biological reaction networks are often only partially measured. In addition, the captured data only covers a limited trajectory, therefore data can only be considered as a local snapshot of the system responses with respect to the complete set of state trajectories over the entire state space. Hence the estimated model can only reflect partial system dynamics and may not be unique. To improve the identification quality, the structural and practical identifiablility of S‐system are studied. The S‐system is shown to be identifiable under a set of assumptions. Then, an application on yeast fermentation pathway was conducted. Two case studies were chosen; where the first case is based on a larger state trajectories and the second case is based on a smaller one. By expanding the dataset which span a relatively larger state space, the uncertainty of the estimated system can be reduced. The results indicated that initial concentration is related to the practical identifiablity.
Molecular Dynamics and Monte Carlo simulations in the microcanonical ensemble: Quantitative comparison and reweighting techniques
Authors: Schierz Philipp , Zierenberg Johannes , Janke Wolfhard
Published: October 2015

Molecular Dynamics (MD) and Monte Carlo (MC) simulations are the most popular simulation techniques for many-particle systems. Although they are often applied to similar systems, it is unclear to which extent one has to expect quantitative agreement of the two simulation techniques. In this work, we present a quantitative comparison of MD and MC simulations in the microcanonical ensemble. For three test examples, we study first- and second-order phase transitions with a focus on liquid-gas like transitions. We present MD analysis techniques to compensate for conservation law effects due to linear and angular momentum conservation. Additionally, we apply the weighted histogram analysis method to microcanonical histograms reweighted from MD simulations. By this means, we are able to estimate the density of states from many microcanonical simulations at various total energies. This further allows us to compute estimates of canonical expectation values.
Instantaneous slip length in superhydrophobic microchannels having grooves with curved or dissimilar walls
Authors: Hemeda A. A. , Vahedi Tafreshi H.
Published: October 2015

Superhydrophobic (SHP) surfaces can be used to reduce the skin-friction drag in a microchannel. This is due to the peculiar ability of these surfaces to entrap air in their pores and thereby reduce the contact area between water and the solid surface. The favorable drag-reduction effect, however, can quickly deteriorate if the surface geometry is not designed properly. The deterioration can be sudden, caused by exposure to excessive pressures, or gradual, due to the dissolution of the entrapped air into the ambient water. The formulations presented here provide a means for studying the time-dependent drag-reduction in a microchannel enhanced with transverse or longitudinal SHP grooves of varying wall profiles or wettabilities. Moreover, different mathematical approaches are developed to distinguish the performance of a sharp-edged groove from that of a groove with round entrance. The work starts by deriving an equation for the balance of forces on the air–water interface (AWI) inside a groove and solving this differential equation, along with Henry’s law, for the rate of dissolution of the entrapped air into water over time. It was shown that the performance of a SHP groove depends mostly on the interplay between the effects of the apparent contact angle of the AWI and the initial volume of the groove. The instantaneous slip length is then calculated by solving the Navier–Stokes equations for flow in microchannels with SHP grooves. Our results are compared with the studies in the literature whenever available, and good agreement has been observed.
Chemically assembled double-dot single-electron transistor analyzed by the orthodox model considering offset charge
Authors: Kano Shinya , Maeda Kosuke , Tanaka Daisuke , Sakamoto Masanori , Teranishi Toshiharu , Majima Yutaka
Published: October 2015

We present the analysis of chemically assembled double-dot single-electron transistors using orthodox model considering offset charges. First, we fabricate chemically assembled single-electron transistors (SETs) consisting of two Au nanoparticles between electroless Au-plated nanogap electrodes. Then, extraordinary stable Coulomb diamonds in the double-dot SETs are analyzed using the orthodox model, by considering offset charges on the respective quantum dots. We determine the equivalent circuit parameters from Coulomb diamonds and drain current vs. drain voltage curves of the SETs. The accuracies of the capacitances and offset charges on the quantum dots are within ±10%, and ±0.04e (where e is the elementary charge), respectively. The parameters can be explained by the geometrical structures of the SETs observed using scanning electron microscopy images. Using this approach, we are able to understand the spatial characteristics of the double quantum dots, such as the relative distance from the gate electrode and the conditions for adsorption between the nanogap electrodes.