bluuebunny/crossref_metadata_2025 huggingface dataset:
On the crumpling of polycrystalline graphene by molecular dynamics simulation
Authors: Becton Matthew , Zhang Liuyang , Wang Xianqiao
Published: January 2015

By employing molecular dynamics simulation, this work unravels the crumpling process of polycrystalline graphene and its relevant mechanical properties.
Molecular simulations for dynamic nuclear polarization in liquids: a case study of TEMPOL in acetone and DMSO
Authors: Küçük Sami Emre , Neugebauer Petr , Prisner Thomas F. , Sezer Deniz
Published: January 2015

MD simulations enhanced with an analytical model of diffusion are used to predict DNP coupling factors.
Direct observation of the growth and shrinkage of microtubules by single molecule Förster resonance energy transfer
Authors: Mondal Prasenjit , Chattoraj Shyamtanu , Chowdhury Rajdeep , Bhunia Debmalya , Ghosh Surajit , Bhattacharyya Kankan
Published: January 2015

Single molecule Förster resonance energy transfer (FRET) has been applied to monitor the growth and the shrinkage of the dynamic microtubules.
Direct synthesis of dimethyl ether from CO2 hydrogenation over Cu–ZnO–ZrO2/SO42−–ZrO2 hybrid catalysts: effects of sulfur-to-zirconia ratios
Authors: Witoon Thongthai , Permsirivanich Tinnavat , Kanjanasoontorn Nawapon , Akkaraphataworn Chalairat , Seubsai Anusorn , Faungnawakij Kajornsak , Warakulwit Chompunuch , Chareonpanich Metta , Limtrakul Jumras
Published: January 2015

Methanol can be dehydrated to form DME over sulfated zirconia catalysts via pathway I, if the sulfur content is low, and pathway II, if the sulfur content is high.
Biorefining of marine macroalgal biomass for production of biofuel and commodity chemicals
Authors: Baghel Ravi S. , Trivedi Nitin , Gupta Vishal , Neori Amir , Reddy C. R. K. , Lali Arvind , Jha Bhavanath
Published: January 2015

Products extracted from macroalgae through biorefinery process and their applications.
A new page on the road book of inorganic mercury in fish body – tissue distribution and elimination following waterborne exposure and post-exposure periods
Authors: Pereira Patrícia , Raimundo Joana , Barata Marisa , Araújo Olinda , Pousão-Ferreira Pedro , Canário João , Almeida Armando , Pacheco Mário
Published: January 2015

Time-related accumulation/distribution of inorganic Hg upon exposure and post-exposure periods. Body compartments selected: gills, eye wall, lens, blood, liver, brain and bile.
Insights on the interaction of alpha-synuclein and metals in the pathophysiology of Parkinson's disease
Authors: Carboni Eleonora , Lingor Paul
Published: January 2015

The interaction of different metals with the Parkinson's disease-associated protein alpha-synuclein results in oxidative stress, protein aggregation and pathology progression.
Synthesis of (Z)-(arylamino)-pyrazolyl/isoxazolyl-2-propenones as tubulin targeting anticancer agents and apoptotic inducers
Authors: Kamal Ahmed , Reddy Vangala Santhosh , Shaik Anver Basha , Kumar G. Bharath , Vishnuvardhan M. V. P. S. , Polepalli Sowjanya , Jain Nishant
Published: January 2015

A new class of pyrazole conjugates were synthesized and evaluated for their antiproliferative activity in human cancer cell lines: 9a, 9b and 9f significantly inhibited cell growth as well as tubulin polymerization.
The first water-soluble bowl complex: molecular recognition of acetate by the biomimetic tris(imidazole) Zn(ii) system at pH 7.4
Authors: Rat Stéphanie , Gout Jérôme , Bistri Olivia , Reinaud Olivia
Published: January 2015

The bowl-shaped cavity-ligand based on resorcinarene has been successfully transposed into a water-soluble version that readily binds Zn(ii) and acetate at physiological pH.
A biotin-conjugated pyridine-based isatoic anhydride, a selective room temperature RNA-acylating agent for the nucleic acid separation
Authors: Ursuegui S. , Yougnia R. , Moutin S. , Burr A. , Fossey C. , Cailly T. , Laayoun A. , Laurent A. , Fabis F.
Published: January 2015

A biotin-conjugated pyridine based isatoic anhydride has been designed and evaluated for nucleic acid separation after RNA 2′-OH acylation at room temperature.
Fluorination of 2-substituted benzo[b]furans with Selectfluor™
Authors: Wang Mingliang , Liu Xixi , Zhou Lu , Zhu Jidong , Sun Xun
Published: January 2015

An efficient protocol was developed to access 3-fluoro-2-hydroxy-2-substituted benzo[b]furans with Selectfluor™ as the fluorinating reagent in MeCN and water. By utilizing SOCl2/Py as the dehydrating agent, the compounds above were readily converted to 3-fluorinated, 2-substituted benzo[b]furans in high yields.
Over-activity and stability of laccase using ionic liquids: screening and application in dye decolorization
Authors: Galai S. , P. de los Ríos A. , Hernández-Fernández F. J. , Haj Kacem S. , Tomas-Alonso F.
Published: January 2015

Protective effect of the ionic liquid [Chol][H2PO4] against temperature, pH, and storage time onTrametes versicolorlaccase.
Vibrational spectroscopic investigation on interaction of sago starch capped silver nanoparticles with collagen: a comparative physicochemical study using FT-IR and FT-Raman techniques
Authors: Mandal Abhishek , Sekar Santhanam , Chandrasekaran N. , Mukherjee Amitava , Sastry Thotapalli P.
Published: January 2015

Vibrational spectroscopies as analytical tools to investigate the interaction of sago starch-capped silver nanoparticles with collagen scaffolds for biomedical applications.
Charge transfer or biradicaloid character: assessing TD-DFT and SAC-CI for squarylium dye derivatives
Authors: G Krishna Chaitanya , Puyad Avinash L. , K Bhanuprakash
Published: January 2015

Le Bahers's diagnostic indexes have been applied to study the electronic transition character of symmetrical squarylium dye derivatives through TD-DFT and SAC-CI methods.
Design of a structural framework with potential use to develop balanced multifunctional agents against Alzheimer's disease
Authors: Jiang Neng , Wang Xiao-Bing , Li Zhong-Rui , Li Su-Yi , Xie Sai-Sai , Huang Ming , Kong Ling-Yi
Published: January 2015

A series of small molecules had been designed, synthesized, and evaluated as multifunctional ligands against Alzheimer's disease (AD).
New bioactive steroids from the soft coral Klyxum flaccidum
Authors: Tsai Chia-Ruei , Huang Chiung-Yao , Chen Bo-Wei , Tsai Yi-Ying , Shih Shou-Ping , Hwang Tsong-Long , Dai Chang-Feng , Wang Sheng-Yang , Sheu Jyh-Horng
Published: January 2015

The structures, cytotoxic and anti-inflammatory activities of steroids isolated from the soft coral Klyxum flaccidum are reported.
Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts
Authors: Podyachev Sergey N. , Masliy Alexey N. , Semenov Vyacheslav E. , Syakaev Victor V. , Sudakova Svetlana N. , Voronina Julia K. , Ivanov Vladimir T. , Kuznetsov Andrey M. , Gogolashvili Edward L. , Reznik Vladimir S. , Konovalov Alexander I.
Published: January 2015

Pyrimidinophanes revealed high extraction selectivity for Ag+ ions and afforded Ag+ mediated duplex-type complexes. Such coordination is realized due to the N1-atoms of the 2-thiocytosine fragments and the polymethylene spacer linking amine groups.
Effect of iron acetylacetonate on the crosslink structure, thermal and flammability properties of novel aromatic diamine-based benzoxazines containing cyano group
Authors: Yan Hongqiang , Wang Huaqing , Cheng Jie , Fang Zhengping , Wang Hao
Published: January 2015

Fe(AcAc)3 speeds up the curing reaction of BAPBACP monomer and improves the thermal and flammability properties of the cured resin.
Calculating the volume of elongated bubbles and droplets in microchannels from a top view image
Authors: Musterd Michiel , van Steijn Volkert , Kleijn Chris R. , Kreutzer Michiel T.
Published: January 2015

We present a theoretical model to calculate the volume of bubbles and droplets in segmented microflows from given dimensions of the microchannel and measured lengths of bubbles and droplets.
In situ microfluidic fabrication of SERS nanostructures for highly sensitive fingerprint microfluidic-SERS sensing
Authors: Parisi Joseph , Dong Qiuchen , Lei Yu
Published: January 2015

A microfluidic-SERS device has been fabricated via a facile in situ galvanic replacement for ultrasensitive detection of pesticides and herbicides.
Pdots nanoparticles load photosensitizers and enhance efficiently their photodynamic effect by FRET
Authors: Haimov Elina , Weitman Hana , Ickowicz Debby , Malik Zvi , Ehrenberg Benjamin
Published: January 2015

Pdot nanoparticles enhance the photodynamic effect by efficient FRET to the photosensitizer. Thus, production of singlet oxygen is increased and causes irreversible damage to cancer cells.
One-step hydrothermal synthesis of flowerlike MoS2/CdS heterostructures for enhanced visible-light photocatalytic activities
Authors: Wang Chuanxi , Lin Huihui , Xu Zhenzhu , Cheng Hao , Zhang Chi
Published: January 2015

Flowerlike MoS2/CdS heterostructures are prepared by a simple hydrothermal method and they show higher photocatalytic activity under the excitation of visible light.
Real-time selective monitoring of allergenic Aspergillus molds using pentameric antibody-immobilized single-walled carbon nanotube-field effect transistors
Authors: Jin Joon-Hyung , Kim Junhyup , Jeon Taejin , Shin Su-Kyoung , Sohn Jong-Ryeul , Yi Hana , Lee Byung Yang
Published: January 2015

A SWNT-FET directly functionalized with immunoglobulin M shows a wide detection range from sub-picomolar to micromolar with an excellent sensitivity due to chemical gating in selective monitoring of fungal allergens.
Visible light switchable bR/TiO
2 nanostructured photoanodes for bio-inspired solar energy conversion
Authors: Naseri Naimeh , Janfaza Sajjad , Irani Rowshanak
Published: January 2015

Bacteriorhodopsin, a visible light sensitizer for the water splitting reaction, adsorbed on TiO
2 nanoparticulate photoanode without any linker and caused a significant PEC enhancement.
Visible-light-driven photocatalytic H2 evolution from aqueous suspensions of perylene diimide dye-sensitized Pt/TiO2 catalysts
Authors: Chen Shuai , Li Yingxuan , Wang Chuanyi
Published: January 2015

Solution-processed composite photocatalysts employing photosensitive perylene diimide assemblies and Pt/TiO2 nanoparticles demonstrate efficient visible-light-driven H2 evolution activity in aqueous solutions.
1D CdS nanowire–2D BiVO4 nanosheet heterostructures toward photocatalytic selective fine-chemical synthesis
Authors: Han Bin , Liu Siqi , Xu Yi-Jun , Tang Zi-Rong
Published: January 2015

The CdS–BiVO4 1D/2D composite is fabricated by a simple electrostatic self-assembly methodology, which exhibits a significantly enhanced photocatalytic performance as compared to bare 1D CdS and 2D BiVO4.
Crosslinked reduced graphene oxide/polymer composites via in situ synthesis by semicontinuous emulsion polymerization
Authors: Spasevska D. , Leal G. P. , Fernández M. , Gilev J. Blazevska , Paulis M. , Tomovska R.
Published: January 2015

From aqueous dispersions of crosslinked polymer/reduced graphene oxide (rGO) composite nanoparticles, synthesized by semicontinuous seeded emulsion polymerization, to electrically conductive and reinforced composite films.
Oligoarylenes end-capped with carbazol-N-yl-carbazole as color tunable light-emitting and hole-transporting materials for solution-processed OLEDs
Authors: Keawin T. , Sooksai C. , Prachumrak N. , Kaewpuang T. , Muenmart D. , Namuangruk S. , Jungsuttiwong S. , Sudyoadsuk T. , Promarak V.
Published: January 2015

A series of oligoarylenes (CAr) exhibited blue to red fluorescence with hole-transporting properties. Simple structured solution-processed CAr-based OLEDs emitted stable colors spanning the visible spectrum and white light with luminance efficiencies up to 13.73 cd A−1.
MAX phase ternary carbide derived 2-D ceramic nanostructures [CDCN] as chemically interactive functional fillers for damage tolerant epoxy polymer nanocomposites
Authors: Vaisakh S. S. , Mahesh K. V. , Balanand S. , Metz R. , Hassanzadeh M. , Ananthakumar S.
Published: January 2015

A 2-D ceramic nanostructure was successfully processed out of nanolamellar 312 MAX phase ternary carbide and titanium silicon carbideviaa simple shear-induced delamination method and was incorporated in an epoxy matrix, so as to improve the bulk properties of the polymer.
A curing system of benzoxazine with amine: reactivity, reaction mechanism and material properties
Authors: Sun JiaQin , Wei Wei , Xu YaZhen , Qu JieHao , Liu XiangDong , Endo Takeshi
Published: January 2015

In addition to providing an acceleration effect on curing, suitable amines react with benzoxazine to form desired structures and improve the materials properties of the cured resins.
The effective adsorption and decomposition of N2O on Al-decorated graphene oxide under electric field
Authors: Lv Zhu , Mo Huiyu , Chen Chi , Ji Xiao , Xu Kui , Miao Ling , Jiang Jianjun
Published: January 2015

Al-decorated graphene oxide is expected to be a promising new candidate for N2O decomposition with enhanced adsorption and easier decomposition process.
Photomagnetic molecular and extended network Langmuir–Blodgett films based on cyanide bridged molybdenum–copper complexes
Authors: Bridonneau Nathalie , Long Jérôme , Cantin Jean-Louis , von Bardeleben Jurgen , Talham Daniel R. , Marvaud Valérie
Published: January 2015

The present manuscript describes two types of cyanide bridged molybdenum–copper photomagnetic films obtained by the Langmuir–Blodgett technique.
One-pot synthesis of heterostructured Bi2S3/BiOBr microspheres with highly efficient visible light photocatalytic performance
Authors: Jiao Hong-Peng , Yu Xiang , Liu Zhao-Qing , Kuang Pan-Yong , Zhang Yuan-Ming
Published: January 2015

To overcome the drawback of low photocatalytic efficiency brought by fast electron–hole recombination and narrow photoresponse range, the heterostructured Bi2S3/BiOBr microspheres were designed and synthesized via a facile one-pot solvothermal method.
Formal synthesis of a disaccharide repeating unit (IdoA–GlcN) of heparin and heparan sulfate
Authors: Sawant Ratnnadeep C. , Liao Ying-Ju , Lin Yi-Jyun , Badsara Satpal Singh , Luo Shun-Yuan
Published: January 2015

A concise route to access the key disaccharide repeating unit (IdoA–GlcN) of heparan sulfate is described.
Bioinspired adhesive polymer coatings for efficient and versatile corrosion resistance
Authors: Payra Debabrata , Naito Masanobu , Fujii Yoshihisa , Yamada Norifumi L. , Hiromoto Sachiko , Singh Alok
Published: January 2015

Bioinspired organic polymer is demonstrated for efficient and versatile corrosion resistance. Present method affords a thin, transparent and highly adhesive protective coatings for wide range of structural metals/alloys.
Enantioselective cis-β-lactam synthesis by intramolecular C–H functionalization from enoldiazoacetamides and derivative donor–acceptor cyclopropenes
Authors: Xu Xinfang , Deng Yongming , Yim David N. , Zavalij Peter Y. , Doyle Michael P.
Published: January 2015

β-Lactam derivatives are produced through donor–acceptor cyclopropene intermediates in high yield with exclusive cis-diastereoselectivity, and high enantiocontrol.
Te-template approach to fabricating ternary TeCuPt alloy nanowires with enhanced catalytic performance towards oxygen reduction reaction and methanol oxidation reaction
Authors: Li Haibo , Ren Cancan , Xu Shuling , Wang Lei , Yue Qiaoli , Li Rui , Zhang Yuanfu , Xue Qingwang , Liu Jifeng
Published: January 2015

Alloying Pt with both Te and Cu could effectively improve ternary TeCuPt catalytic activity for electronic and geometric structure effects.
Photocatalytic hydrogen production over CdS: effects of reaction atmosphere studied by in situ Raman spectroscopy
Authors: Ma Lijing , Liu Maochang , Jing Dengwei , Guo Liejin
Published: January 2015

Photocatalytic hydrogen production over CdS was monitored by anin situRaman spectroscopy system.
Investigation of the capacity decay of a CdO–NaI mixed sorbent for pre-combustion CO2 capture
Authors: Vogt Christian , Gengenbach Thomas R. , Chang Shery L. Y. , Knowles Gregory P. , Chaffee Alan L.
Published: January 2015

CdO–NaI mixtures for pre-combustion CO2 sorption were found to lose iodine by oxidation of iodide to higher-oxidised species. Morphology changes and the reversibility of the decay reaction were also investigated.
Bacterial meningitis pathogens identified in clinical samples using a SERS DNA detection assay
Authors: Gracie Kirsten , Lindsay Diane , Graham Duncan , Faulds Karen
Published: January 2015

Application of a SERS DNA detection assay for the identification of bacterial meningitis pathogens in clinical samples.
One-step fabrication of robust fabrics with both-faced superhydrophobicity for the separation and capture of oil from water
Authors: Li Jian , Yan Long , Zhao Yuzhu , Zha Fei , Wang Qingtao , Lei Ziqiang
Published: January 2015

Robust both-faced superhydrophobic fabrics fabricated by a one-step process could be used to separate oil from water with high efficiency.
Research highlights: microfluidic analysis of antimicrobial susceptibility
Authors: Murray Coleman , Adeyiga Oladunni , Owsley Keegan , Di Carlo Dino
Published: January 2015

Single-cell morphological analysis – gradient antibiotic susceptibility – rapid bacterial detection in blood.
Synthesis of indolo[1,2-f]phenanthridines by Pd-catalyzed domino C–N coupling/hydroamination/C–H arylation reactions
Authors: Ngo Thang Ngoc , Ehlers Peter , Dang Tuan Thanh , Villinger Alexander , Langer Peter
Published: January 2015

Indolo[1,2-f]phenanthridines were prepared by Pd-catalyzed domino C–N coupling/hydroamination/C–H arylation reactions.
Correction: Using Hansen solubility parameters to study the encapsulation of caffeine in MOFs
Authors: Paseta Lorena , Potier Grégory , Abbott Steven , Coronas Joaquín
Published: January 2015

Correction for ‘Using Hansen solubility parameters to study the encapsulation of caffeine in MOFs’ by Lorena Paseta et al., Org. Biomol. Chem., 2015, DOI: 10.1039/c4ob01898b.
Bifunctional polybenzoxazine nanocomposites containing photo-crosslinkable coumarin units and pyrene units capable of dispersing single-walled carbon nanotubes
Authors: Mohamed Mohamed Gamal , Hsu Kuo-Chih , Kuo Shiao-Wei
Published: January 2015

A new bifunctional benzoxazine monomer possessing both coumarin and pyrene groups for photo-crosslinking and dispersing single-walled carbon nanotubes.
Preparation of a Ag–MnO2/graphene composite for the oxygen reduction reaction in alkaline solution
Authors: Liu Shengwei , Qin Xue
Published: January 2015

Preparing an excellent catalyst, a Ag–MnO2/graphene composite, for the oxygen reduction reaction through a facile method.
Correction: Bio-inspired colouration on various textile materials using a novel catechol colorant
Authors: Lai So Vicky Lai , He Liang , Fei Bin , Cheuk Kevin K. L. , Xin John H.
Published: January 2015

Correction for ‘Bio-inspired colouration on various textile materials using a novel catechol colorant’ by Vicky Lai Lai So et al., RSC Adv., 2014, 4, 41081–41086.
Colossal permittivity in ceramics of TiO2Co-doped with niobium and trivalent cation
Authors: Cheng Xiaojing , Li Zhenwei , Wu Jiagang
Published: January 2015

The appearance of colossal permittivity (CP) materials broadens the choice of materials for energy-storage applications.
In situ reduction and coating of SnS2 nanobelts for free-standing SnS@polypyrrole-nanobelt/carbon-nanotube paper electrodes with superior Li-ion storage
Authors: Liu Jun , Wen Yuren , van Aken Peter A. , Maier Joachim , Yu Yan
Published: January 2015

A novel free-standing 3D SnS@PPy-NB/CNT paper electrode with superior Li-ion storage performance is synthesized using a combined in situ polymerization restriction/bottom-up assembling technique.
Individual Sensitivity to Spectral and Temporal Cues in Listeners With Hearing Impairment
Authors: Souza Pamela E. , Wright Richard A. , Blackburn Michael C. , Tatman Rachael , Gallun Frederick J.
Published: January 2015

Purpose

The present study was designed to evaluate use of spectral and temporal cues under conditions in which both types of cues were available.

Method

Participants included adults with normal hearing and hearing loss. We focused on 3 categories of speech cues: static spectral (spectral shape), dynamic spectral (formant change), and temporal (amplitude envelope). Spectral and/or temporal dimensions of synthetic speech were systematically manipulated along a continuum, and recognition was measured using the manipulated stimuli. Level was controlled to ensure cue audibility. Discriminant function analysis was used to determine to what degree spectral and temporal information contributed to the identification of each stimulus.

Results

Listeners with normal hearing were influenced to a greater extent by spectral cues for all stimuli. Listeners with hearing impairment generally utilized spectral cues when the information was static (spectral shape) but used temporal cues when the information was dynamic (formant transition). The relative use of spectral and temporal dimensions varied among individuals, especially among listeners with hearing loss.

Conclusion

Information about spectral and temporal cue use may aid in identifying listeners who rely to a greater extent on particular acoustic cues and applying that information toward therapeutic interventions.
Face-Referenced Measurement of Perioral Stiffness and Speech Kinematics in Parkinson's Disease
Authors: Chu Shin Ying , Barlow Steven M. , Lee Jaehoon
Published: January 2015

Purpose

Perioral biomechanics, labial kinematics, and associated electromyographic signals were sampled and characterized in individuals with Parkinson's disease (PD) as a function of medication state.

Method

Passive perioral stiffness was sampled using the OroSTIFF system in 10 individuals with PD in a medication ON and a medication OFF state and compared to 10 matched controls. Perioral stiffness, derived as the quotient of resultant force and interoral angle span, was modeled with regression techniques. Labial movement amplitudes and integrated electromyograms from select lip muscles were evaluated during syllable production using a 4-D computerized motion capture system.

Results

Multilevel regression modeling showed greater perioral stiffness in patients with PD, consistent with the clinical correlate of rigidity. In the medication-OFF state, individuals with PD manifested greater integrated electromyogram levels for the orbicularis oris inferior compared to controls, which increased further after consumption of levodopa.

Conclusions

This study illustrates the application of biomechanical, electrophysiological, and kinematic methods to better understand the pathophysiology of speech motor control in PD.
Aspects of structural landscape of human islet amyloid polypeptide
Authors: He Jianfeng , Dai Jin , Li Jing , Peng Xubiao , Niemi Antti J.
Published: January 2015

The human islet amyloid polypeptide (hIAPP) co-operates with insulin to maintain glycemic balance. It also constitutes the amyloid plaques that aggregate in the pancreas of type-II diabetic patients. We have performed extensive in silico investigations to analyse the structural landscape of monomeric hIAPP, which is presumed to be intrinsically disordered. For this, we construct from first principles a highly predictive energy function that describes a monomeric hIAPP observed in a nuclear magnetic resonance experiment, as a local energy minimum. We subject our theoretical model of hIAPP to repeated heating and cooling simulations, back and forth between a high temperature regime where the conformation resembles a random walker and a low temperature limit where no thermal motions prevail. We find that the final low temperature conformations display a high level of degeneracy, in a manner which is fully in line with the presumed intrinsically disordered character of hIAPP. In particular, we identify an isolated family of α-helical conformations that might cause the transition to amyloidosis, by nucleation.
A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples
Authors: Dutta Achintya Kumar , Vaval Nayana , Pal Sourav
Published: January 2015

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N6 does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.
Utilizing vertically aligned CdSe/CdS nanorods within a luminescent solar concentrator
Authors: Fisher Martyn , Farrell Daniel , Zanella Marco , Lupi Antonio , Stavrinou Paul N. , Chatten Amanda J
Published: January 2015

Optical characterisation methodologies are employed to validate a nanorod self-alignment technique for use in luminescent solar concentrators (LSCs). The nanorods utilised in this work were CdSe/CdS core/shell nanorods, and the self-alignment technique relied on the evaporation of a highly concentrated nanorod/xylene solution onto a glass substrate. Position and angular dependent light absorptivity measurements revealed evidence of vertical nanorod alignment over a limited region at the centre of the LSC sample. Vertical nanorod alignment is beneficial for absorbing diffuse/scattered sunlight and provides for a high light trapping efficiency in the LSC.
Predissociation dynamics of lithium iodide
Authors: Schmidt H. , von Vangerow J. , Stienkemeier F. , Bogomolov A. S. , Baklanov A. V. , Reich D. M. , Skomorowski W. , Koch C. P. , Mudrich M.
Published: January 2015

The predissociation dynamics of lithium iodide (LiI) in the first excited A-state is investigated for molecules in the gas phase and embedded in helium nanodroplets, using femtosecond pump-probe photoionization spectroscopy. In the gas phase, the transient Li+ and LiI+ ion signals feature damped oscillations due to the excitation and decay of a vibrational wave packet. Based on high-level ab initio calculations of the electronic structure of LiI and simulations of the wave packet dynamics, the exponential signal decay is found to result from predissociation predominantly at the lowest avoided X-A potential curve crossing, for which we infer a coupling constant VXA = 650(20) cm−1. The lack of a pump-probe delay dependence for the case of LiI embedded in helium nanodroplets indicates fast droplet-induced relaxation of the vibrational excitation.
Electronic structure and optical properties of α-(Fe1-xVx)2O3 solid-solution thin films
Authors: Chamberlin S. E. , Nayyar I. H. , Kaspar T. C. , Sushko P. V. , Chambers S. A.
Published: January 2015

We have examined the effect of V doping on the electronic and optical properties of epitaxial hematite (α-Fe2O3) thin films, by employing several characterization techniques and computational modeling. The conductivity of α-(Fe1-xVx)2O3 (0 ≤ x ≤ ∼0.5) is enhanced by several orders of magnitude as x is increased, as evidenced by electrical resistivity measurements and x-ray photoelectron spectroscopy core-level and valence-band spectra. Optical absorption shows a reduction in the direct band gap by as much as 0.64 eV for x = 0.53 (Eg = 1.46 eV) relative to that of α-Fe2O3 (Eg = 2.10 eV). Detailed understanding of the character of the optical transitions in the alloys is achieved using first-principles calculations of the ground and excited states. These calculations reveal that V doping results in occupied V 3d orbitals hybridized with Fe orbitals and located at approximately mid-gap in α-Fe2O3. The lowest energy transitions involve charge transfer from occupied V 3d to unoccupied Fe 3d* orbitals. With a low band gap and high conductivity, α-(Fe1-xVx)2O3 is a promising material for photovoltaic and photoelectrochemical applications.
Reducing the switching current with a Gilbert damping constant in nanomagnets with perpendicular anisotropy
Authors: Yamada Keisuke , Oomaru Kiyoaki , Nakamura Satoshi , Sato Tomonori , Nakatani Yoshinobu
Published: January 2015

We report on current-induced magnetization switching in a nanomagnet with perpendicular anisotropy, and investigate the effects of the damping constant (α) on the switching current (Isw) by varying the nanosecond-scale pulse current duration (tp), the saturation magnetization (Ms), and the magnetocrystalline anisotropy (Ku). The results show that reduction of α below a certain threshold (αc) is ineffective in reducing Isw for short tp. When tp is short, it is necessary to reduce both α and Ms simultaneously until αc is reached to reduce Isw. The results presented here offer a promising route for the design of ultrafast information storage and logic devices using current-induced magnetization switching.
Nonvolatile data storage using mechanical force-induced polarization switching in ferroelectric polymer
Authors: Chen Xin , Tang Xin , Chen Xiang-Zhong , Chen Yu-Lei , Guo Xu , Ge Hai-Xiong , Shen Qun-Dong
Published: January 2015

Ferroelectric polymers offer the promise of low-cost and flexible electronic products. They are attractive for information storage due to their spontaneous polarization which is usually switched by electric field. Here, we demonstrate that electrical signals can be readily written on ultra-thin ferroelectric polymer films by strain gradient-induced polarization switching (flexoelectric effect). A force with magnitude as small as 64nN is enough to induce highly localized (40 nm feature size) change in the polarization states. The methodology is capable of realizing nonvolatile memory devices with miniaturized cell size and storage density of tens to hundreds Gbit per square inch.
Tuning of electronic properties of fullerene-oligothiophene layers
Authors: Lewandowska Kornelia , Pilarczyk Kacper , Podborska Agnieszka , Kim Tae-Dong , Lee Kwang-Sup , Szaciłowski Konrad
Published: January 2015

Electronic properties of fullerene derivatives containing oligothiophene pendant chain (1–3 thiophene moieties) were investigated using the Kelvin probe technique and quantum chemistry methods. For electrochemical examination of these systems, Langmuir–Blodgett (LB) layers were prepared by the deposition on a gold substrate. The analysis of the experimental data shows that the value of the work function depends strongly on the length of oligothiophene chain. Similar dependence was also found for the surface photovoltage measurements conducted for the layers consisting of multiple LB films of the examined compounds deposited on gold surfaces. The assumption has been made that these changes are associated with the influence of oligothiophene chain on the electrostatic potential distribution near the surface of the sample. The hypothesis was confirmed by the results of DFT calculations, which revealed that the value of Fermi level energy shifts in the opposite direction to the determined work function. The key highlights of this study are as follows: electronic structure tuning by oligothiophene side chain; DFT calculation on fullerene-thiophene system; work function measurements of thin molecular layers.
Cost, reliability, and sensitivity of a stand-alone hybrid renewable energy system—A case study on a lecture building with low load factor
Authors: Gangwar S. , Bhanja D. , Biswas A.
Published: January 2015

Single source renewable energy systems exhibit strong short term and seasonal variations in their outputs for which hybrid systems are the need of the hour. Taking consideration of the location, user requirements, cost, reliability, etc., the hybrid systems are designed. The objective of the present study is to evaluate cost and reliability of a standalone hybrid renewable energy system (HRES) to be utilized for a lecture building of a technical institute with low load factor. Different combinations of HRES involving horizontal axis wind turbine, solar photo voltaic (PV), proton exchange membrane fuel cell with electrolyzer, and battery bank have been studied. Four such systems have been modeled using hybrid optimization model for electric renewable HOMER software, and these are techno-economically evaluated for the existing low load factor conditions of the building. Futuristic growth of load demand is also incorporated to analyze the results. It has been found that the combination of wind turbines, solar PV system, and battery bank gives the most cost effective hybrid system for both the load scenarios. And PV, fuel cell, wind turbine, and battery bank type HRES have the better reliability in terms of lower unmet load.
Measurements of 3D slip velocities and plasma column lengths of a gliding arc discharge
Authors: Zhu Jiajian , Gao Jinlong , Ehn Andreas , Aldén Marcus , Li Zhongshan , Moseev Dmitry , Kusano Yukihiro , Salewski Mirko , Alpers Andreas , Gritzmann Peter , Schwenk Martin
Published: January 2015

A non-thermal gliding arc discharge was generated at atmospheric pressure in an air flow. The dynamics of the plasma column and tracer particles were recorded using two synchronized high-speed cameras. Whereas the data analysis for such systems has previously been performed in 2D (analyzing the single camera image), we provide here a 3D data analysis that includes 3D reconstructions of the plasma column and 3D particle tracking velocimetry based on discrete tomography methods. The 3D analysis, in particular, the determination of the 3D slip velocity between the plasma column and the gas flow, gives more realistic insight into the convection cooling process. Additionally, with the determination of the 3D slip velocity and the 3D length of the plasma column, we give more accurate estimates for the drag force, the electric field strength, the power per unit length, and the radius of the conducting zone of the plasma column.
Raman spectroscopic characterization of the core-rim structure in reaction bonded boron carbide ceramics
Authors: Jannotti Phillip , Subhash Ghatu , Zheng James Q. , Halls Virginia , Karandikar Prashant G. , Salamone S. , Aghajanian Michael K.
Published: January 2015

Raman spectroscopy was used to characterize the microstructure of reaction bonded boron carbide ceramics. Compositional and structural gradation in the silicon-doped boron carbide phase (rim), which develops around the parent boron carbide region (core) due to the reaction between silicon and boron carbide, was evaluated using changes in Raman peak position and intensity. Peak shifting and intensity variation from the core to the rim region was attributed to changes in the boron carbide crystal structure based on experimental Raman observations and ab initio calculations reported in literature. The results were consistent with compositional analysis determined by energy dispersive spectroscopy. The Raman analysis revealed the substitution of silicon atoms first into the linear 3-atom chain, and then into icosahedral units of the boron carbide structure. Thus, micro-Raman spectroscopy provided a non-destructive means of identifying the preferential positions of Si atoms in the boron carbide lattice.
A band enhanced metamaterial absorber based on E-shaped all-dielectric resonators
Authors: Li Liyang , Wang Jun , Du Hongliang , Wang Jiafu , Qu Shaobo , Xu Zhuo
Published: January 2015

In this paper, we propose a band enhanced metamaterial absorber in microwave band, which is composed of high-permittivity E-shaped dielectric resonators and metallic ground plate. The E-shaped all-dielectric structure is made of high-temperature microwave ceramics with high permittivity and low loss. An absorption band with 1 GHz bandwidth for both TE and TM polarizations are observed. Moreover, the absorption property is stable under different incident angles. The band enhanced absorption is caused by different resonant modes which lie closely in the absorption band. Due to the enhanced localized electric/magnetic fields at the resonant frequencies, strong absorptions are produced. Our work provides a new method of designing high-temperature and high-power microwave absorbers with band enhanced absorption.
Design of a telemetry system based on wireless power transmission for physiological parameter monitoring
Authors: Jia Zhiwei , Yan Guozheng , Zhu Bingquan
Published: January 2015

An implanted telemetry system for experimental animals with or without anaesthesia can be used to continuously monitor physiological parameters. This system is significant not only in the study of organisms but also in the evaluation of drug efficacy, artificial organs, and auxiliary devices. The system is composed of a miniature electronic capsule, a wireless power transmission module, a data-recording device, and a processing module. An electrocardiograph, a temperature sensor, and a pressure sensor are integrated in the miniature electronic capsule, in which the signals are transmitted in vitro by wireless communication after filtering, amplification, and A/D sampling. To overcome the power shortage of batteries, a wireless power transmission module based on electromagnetic induction was designed. The transmitting coil of a rectangular-section solenoid and a 3D receiving coil are proposed according to stability and safety constraints. Experiments show that at least 150 mW of power could pick up on the load in a volume of Φ10.5 mm × 11 mm, with a transmission efficiency of 2.56%. Vivisection experiments verified the feasibility of the integrated radio-telemetry system.
An empirical comparison of spatial demand representations in maximal coverage modeling
Authors: Yin Ping , Mu Lan
Published: January 2015

Spatial demand representation is critical for applying location models to planning processes and the efficiency of modeling solutions. Current research has focused primarily on assessing and mitigating demand representation error but ignored the computational complexity of implementing demand representations and solving the associated models. We first use set theory to formulize Cromley et al's (Institutional Journal of Geographical Information Science 26 495-512) demand representation with the least common demand coverage unit (LCDCU). Then, in the application of using the maximal covering location problem (MCLP) to site base stations optimally for a cellular network, we compare the LCDCU-based representation with widely used point-lattice-based and polygon-lattice-based demand representations in terms of both computational complexity and representation error. The LCDCU-based representation creates demand objects by partitioning a demand space into potential service areas, and has several advantages including offering solutions that provide real 100% demand coverage and eliminating some errors associated with other demand representations. However, the computational complexity of implementing the LCDCU-based representation could easily become extremely high as the number of potential facility sites increases, which could be a challenge to current geographic information systems. In addition, unlike point-based and polygon-based demand representations, the LCDCU-based representations cannot be applied to the planar covering location problems where a facility can be sited anywhere. The results of our study suggest that point-lattice-based demand representations with fine granularity are a good alternative to the LCDCU-based representations due to their effective modeling solutions without extensive computation. Polygon-lattice-based demand representations are not recommended owing to both high computational complexity and relatively large representation error. This study provides some indicators on how to choose an appropriate spatial demand representation in practical applications.
Ingredients for a More Radical Strategic Spatial Planning
Authors: Albrechts Louis
Published: January 2015

The purpose of the paper is to contribute to the debate on existing planning approaches—more specifically, strategic spatial planning—and the search for new ideas. Therefore, after briefly dealing with the history, logic, aims of strategic planning, and some critiques the paper sketches the contours of a more radical strategic planning, introduces coproduction as a corner stone of this approach, and opts for working with conflicts and legitimacy as additional building blocks. The paper relies on a selective review of critical planning literature and the authors' experience in practice.
Public participation and public services in British liberal democracy: Colin Ward's anarchist critique
Authors: Wilkin Peter , Boudeau Carole
Published: January 2015

The aim of this paper is to set out a critique of the prevailing academic and government accounts of ‘public participation’. This critique is drawn from the work of the British anarchist Colin Ward, which we argue is significant because it provides an alternative to state-led or market-led models of public participation. Both of the latter models subject individuals to external forms of authority (state or market). By contrast, Ward reminds us that the working-class tradition of free and autonomous associations, illustrated notably by the friendly societies, established a different understanding of public participation, one which presupposes the actual running and maintaining of the very services that the public relied upon through the key values of mutual aid and self-help. We describe the nature of these associations and suggest that, historically, they have been the most accomplished alternatives to state-led and market-led approaches to public participation.
A Compact Microcontrolled Microfluidic System for Photometric Determination of Phosphate in Natural Water Samples
Authors: Pessoa-Neto Osmundo Dantas , Silva Tiago Almeida , Bezerra dos Santos Vagner , Fatibello-Filho Orlando
Published: January 2015

A compact environmentally friendly microcontrolled microfluidic device ideal for in situ phosphate determination was developed based on a microsystem based on low-temperature co-fired ceramics (LTCC) coupled to a light-emitting diode (LED)–photometer with a multicommutation flow analysis (MCFA) approach. The experimental parameters of the MCFA analyzer were optimized by chemometric studies. Under the best experimental conditions, limits of detection and quantification of 0.02 mg P L–1 and 0.07 mg P L–1, respectively, and a sampling frequency of 67 h–1 were estimated. Moreover, a low sample consumption of only 60 μL per determination was the other advantage that fully meets the requirements of sustainable research and green chemistry purposes.
Status and Conservation of Interior Redband Trout in the Western United States
Authors: Muhlfeld Clint C. , Albeke Shannon E. , Gunckel Stephanie L. , Writer Benjamin J. , Shepard Bradley B. , May Bruce E.
Published: January 2015

In this article we describe the current status and conservation of interior (potamodromous) Redband Trout Oncorhynchus mykiss sspp. throughout its range in the western United States using extant data and expert opinion provided by fish managers. Redband Trout historically occupied 60,295 km of stream habitat and 152 natural lakes. Currently, Redband Trout occupy 25,417 km of stream habitat (42% of their historical range) and 124 lakes or reservoirs. Nonhybridized populations are assumed to occupy 11,695 km (46%) of currently occupied streams; however, fish from only 4,473 km (18%) have been genetically tested. Approximately 47% of the streams occupied by Redband Trout occur on private land, 45% on government lands, and 8% in protected areas. A total of 210 Redband Trout populations, occupying 15,252 km of stream habitat (60% of the current distribution) and 95,158 ha of lake habitat (52%), are being managed as “conservation populations.” Most conservation populations have been designated as weakly to strongly connected metapopulations (125; 60%) and occupy much more stream length (14,112 km; 93%) than isolated conservation populations (1,141 km; 7%). The primary threats to Redband Trout include invasive species, habitat degradation and fragmentation, and climate change. Although the historical distribution of interior Redband Trout has declined dramatically, we conclude that the species is not currently at imminent risk of extinction because it is still widely distributed with many populations isolated by physical barriers and active conservation efforts are occurring for many populations. However, the hybridization status of many populations has not been well quantified, and introgression may be more prevalent than documented here. We recommend (1) collecting additional genetic data and estimating distribution and abundance by means of a more rigorous spatial sampling design to reduce uncertainties, (2) collecting additional information to assess and predict the impacts of climate on populations, and (3) continuing to use this database to evaluate the status of Redband Trout and inform conservation efforts through time.

Received March 21, 2014; accepted August 1, 2014
A moonlighting metabolic protein influences repair at DNA double-stranded breaks
Authors: Torres-Machorro Ana Lilia , Aris John P. , Pillus Lorraine
Published: January 2015

Catalytically active proteins with divergent dual functions are often described as ‘moonlighting’. In this work we characterize a new, chromatin-based function of Lys20, a moonlighting protein that is well known for its role in metabolism. Lys20 was initially described as homocitrate synthase (HCS), the first enzyme in the lysine biosynthetic pathway in yeast. Its nuclear localization led to the discovery of a key role for Lys20 in DNA damage repair through its interaction with the MYST family histone acetyltransferase Esa1. Overexpression of Lys20 promotes suppression of DNA damage sensitivity of esa1 mutants. In this work, by taking advantage of LYS20 mutants that are active in repair but not in lysine biosynthesis, the mechanism of suppression of esa1 was characterized. First we analyzed the chromatin landscape of esa1 cells, finding impaired histone acetylation and eviction. Lys20 was recruited to sites of DNA damage, and its overexpression promoted enhanced recruitment of the INO80 remodeling complex to restore normal histone eviction at the damage sites. This study improves understanding of the evolutionary, structural and biological relevance of independent activities in a moonlighting protein and links metabolism to DNA damage repair.