bluuebunny/crossref_metadata_2025 huggingface dataset:
First principles calculations on oxygen vacant hydrated α-MnO2 for activating water oxidation and its self-healing mechanism
Authors: Ganesan Kruthika , Murugan P.
Published: July 2016

In the presence of an oxygen vacancy, two water molecules in the tunnel of an α-MnO2 lattice form a dimer and dissociate into ions, which can activate water oxidation. And also self-healing can happen if at least one more water molecule is available in the tunnel for proton transport.
Dynamically slow solid-to-solid phase transition induced by thermal treatment of DimimFeCl4 magnetic ionic liquid
Authors: de Pedro Imanol , Fabelo Oscar , García-Saiz Abel , Vallcorba Oriol , Junquera Javier , Blanco Jesús Angel , Waerenborgh João Carlos , Andreica D. , Wildes Andrew , Fernández-Díaz María Teresa , Fernández Jesús Rodríguez
Published: July 2016

We present a solid-to-solid phase transition induced by thermal treatment in a magnetic ionic liquid (MIL) which induces the modification of the magnetic properties and super-exchange pathways.
Molecular mechanisms responsible for hydrate anti-agglomerant performance
Authors: Phan Anh , Bui Tai , Acosta Erick , Krishnamurthy Pushkala , Striolo Alberto
Published: July 2016

Steered and equilibrium molecular dynamics simulations were employed to study the coalescence of a sI hydrate particle and a water droplet within a hydrocarbon mixture.
How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cells
Authors: Chi Wei-Jie , Sun Ping-Ping , Li Ze-Sheng
Published: July 2016

meta-Substitution is more beneficial to reduce HOMO levels compared with ortho- and para-substitution, while the hole mobility can be improved by ortho-substitution.
Correlation of three-liquid-phase equilibria involving ionic liquids
Authors: Rodríguez-Escontrela I. , Arce A. , Soto A. , Marcilla A. , Olaya M. M. , Reyes-Labarta J. A.
Published: July 2016

NRTL suitably correlates triphasic water + surfactant ionic liquid + hydrocarbon systems.
Effects of halogen doping on nanocarbon catalysts synthesized by a solution plasma process for the oxygen reduction reaction
Authors: Ishizaki Takahiro , Wada Yuta , Chiba Satoshi , Kumagai Sou , Lee Hoonseung , Serizawa Ai , Li Oi Lun , Panomsuwan Gasidit
Published: July 2016

Halogen (F, CI, and Br)-containing carbon materials were successfully synthesized by solution plasma process. The effects of halogen doping on chemical structure and electrocatalytic activity were investigated.
From underwear to non-equilibrium thermodynamics: physical chemistry informs the origin of life
Authors: Chen Irene A. , de Vries Mattanjah S.
Published: July 2016

Editorial for the themed issue on ‘Prebiotic Chemistry and the Molecular Origins of Life’. The dictum Omne vivum ex vivo is misleading: life must have arisen from non-living matter.
Correction: Determination of Kamlet–Taft parameters for selected solvate ionic liquids
Authors: Eyckens Daniel J. , Demir Baris , Walsh Tiffany R. , Welton Tom , Henderson Luke C.
Published: July 2016

Correction for 'Determination of Kamlet–Taft parameters for selected solvate ionic liquids' by Daniel J. Eyckens et al., Phys. Chem. Chem. Phys., 2016, 18, 13153–13157.
A green-by-design system for efficient bio-oxidation of an unnatural hexapyranose into chiral lactone for building statin side-chains
Authors: Jiao Xue-Cheng , Zhang Yu-Jun , Chen Qi , Pan Jiang , Xu Jian-He
Published: July 2016

An improved dehydrogenaseLeADHI87F/N235H/P236Hwas co-expressed with a NADPH oxidase inE. colifor bio-oxidation of a key statin side-chain precursor.
Coupling molecular spin centers to microwave planar resonators: towards integration of molecular qubits in quantum circuits
Authors: Bonizzoni C. , Ghirri A. , Bader K. , van Slageren J. , Perfetti M. , Sorace L. , Lan Y. , Fuhr O. , Ruben M. , Affronte M.
Published: July 2016

Strong coupling meets coordination chemistry: hints in the design of molecular qubits in hybrid quantum circuits.
Remote-controlled delivery of CO via photoactive CO-releasing materials on a fiber optical device
Authors: Gläser Steve , Mede Ralf , Görls Helmar , Seupel Susanne , Bohlender Carmen , Wyrwa Ralf , Schirmer Sina , Dochow Sebastian , Reddy Gandra Upendar , Popp Jürgen , Westerhausen Matthias , Schiller Alexander
Published: July 2016

Although carbon monoxide (CO) delivery materials (CORMAs) have been generated, remote-controlled delivery with light-activated CORMAs at a local site has not been achieved.
Modulating the hydration behaviour of calcium chloride by lactam complexation
Authors: Perrin Andrea , Musa Osama M. , Steed Jonathan W.
Published: July 2016

A bis(lactam) ligand has been used to modulate the hydration of calcium chloride giving rise to and anhydrous and two hydrated forms of Ca(L1)Cl2 paving the way for their use in accelerated cement drying.
Quaternary chalcogenides BaRE2In2Ch7 (RE = La–Nd; Ch = S, Se) containing InCh5 trigonal bipyramids
Authors: Yin Wenlong , Iyer Abishek K. , Lin Xinsong , Li Chao , Yao Jiyong , Mar Arthur
Published: July 2016

Infinite ribbons built from corner-sharing In-centred trigonal bipyramids, which are rare, are found in the structure of chalcogenides BaRE2In2Ch7.
Spectral characterization and surface complexation modeling of low molecular weight organics on hematite nanoparticles: role of electrolytes in the binding mechanism
Authors: Situm Arthur , Rahman Mohammad A. , Goldberg Sabine , Al-Abadleh Hind A.
Published: July 2016

In situmolecular-level infrared spectroscopic analysis coupled with surface complexation modeling of organics at the aqueous solution–hematite nanoparticle interface.
Towards controlling the dissociation probability by light-induced conical intersections
Authors: Csehi András , Halász Gábor J. , Cederbaum Lorenz S. , Vibók Ágnes
Published: July 2016

Light-induced conical intersections (LICIs) can be formed both by standing or by running laser waves. The position of a LICI is determined by the laser frequency while the laser intensity controls the strength of the nonadiabatic coupling. Recently, it was shown within the LICI framework that linearly chirped laser pulses have an impact on the dissociation dynamics of the D2+molecule (J. Chem. Phys.,143, 014305, (2015);J. Chem. Phys.,144, 074309, (2016)). In this work we exploit this finding and perform calculations using chirped laser pulses in which the time dependence of the laser frequency is designed so as to force the LICI to move together with the field-free vibrational wave packet as much as possible. Since nonadiabaticity is strongest in the vicinity of the conical intersection, this is the first step towards controlling the dissociation processviathe LICI. Our showcase example is again the D2+molecular ion. To demonstrate the impact of the LICIs on the dynamical properties of diatomics, the total dissociation probabilities and the population of the different vibrational levels after the dissociation process are studied and discussed.
Microfluidic droplet trapping, splitting and merging with feedback controls and state space modelling
Authors: Wong David , Ren Carolyn L.
Published: July 2016

We combine image processing and feedback controls to regulate droplet movements.
Self-contained microfluidic systems: a review
Authors: Boyd-Moss Mitchell , Baratchi Sara , Di Venere Martina , Khoshmanesh Khashayar
Published: July 2016

This review discusses the current trends in self-contained microfluidic systems, and classifies such systems based on their operating mechanism into passive, hand-powered and active groups.
Recent advances in the rational design and optimization of antibacterial agents
Authors: Jones Jesse A. , Virga Kristopher G. , Gumina Giuseppe , Hevener Kirk E.
Published: July 2016

Long past the historical “golden era” of antibacterial drug discovery, the modern “resistance era” is being countered by new legislation and advances in the rational design of antibacterial agents.
Transfer and control of the orientation of 3D nanostructures fabricated by nanoskiving
Authors: Zhao Zhiyuan , Zhou Ziwei , Zhang Gang , Chiechi Ryan C.
Published: July 2016

An on-demand transfer approach has been developed to transfer and manipulate nanostructures fabricated by nanoskiving.
Synthesis of functionalized dihydro-2-oxypyrroles and tetrahydropyridines using 2,6-pyridinedicarboxylic acid as an efficient and mild organocatalyst
Authors: Khan Md. Musawwer , Khan Sarfaraz , Iqbal Safia , Saigal Saigal , Yousuf Raveed
Published: July 2016

Simple and mild one-pot protocols for the synthesis of diversely functionalized dihydro-2-oxypyrroles and tetrahydropyridines using catalytic amounts of 2,6-PDCA.
Microporous organic nanotube network supported acid and base catalyst system for one-pot cascade reactions
Authors: Zhang Hui , Xiong Linfeng , He Zidong , Zhong Aiqing , Wang Tianqi , Xu Yang , Huang Kun
Published: July 2016

Acid/base functionalized microporous organic nanotube networks with excellent catalytic performance for one-pot cascade reactions were successfully prepared.
Enantioselective synthesis of 2,3-disubstituted trans-2,3-dihydrobenzofurans using a Brønsted base/thiourea bifunctional catalyst
Authors: Barrios Antúnez Diego-Javier , Greenhalgh Mark D. , Fallan Charlene , Slawin Alexandra M. Z. , Smith Andrew D.
Published: July 2016

The enantioselective synthesis of 2,3-disubstitutedtrans-2,3-dihydrobenzofuran derivativesviaintramolecular Michael addition has been developed using a bifunctional tertiary amine–thiourea catalyst.
Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles
Authors: Mino Takashi , Nishikawa Kenji , Asano Moeko , Shima Yamato , Ebisawa Toshibumi , Yoshida Yasushi , Sakamoto Masami
Published: July 2016

Chiral P/olefin ligands with C–N bond axial chirality were synthesized and utilized for palladium-catalyzed asymmetric allylic alkylation of indoles.
Amphiphilic hydroxyalkyl cellulose derivatives for amorphous solid dispersion prepared by olefin cross-metathesis
Authors: Dong Yifan , Mosquera-Giraldo Laura I. , Troutman Jacob , Skogstad Brittny , Taylor Lynne S. , Edgar Kevin J.
Published: July 2016

Olefin CM followed by transfer hydrogenation is an efficient method for synthesizing amphiphilic hydroxypropyl cellulose derivatives.
A strategy for constructing anti-adhesion surfaces based on interfacial thiol–ene photoclick chemistry between DOPA derivatives with a catechol anchor group and zwitterionic betaine macromolecules
Authors: Wang Liying , Li Guangji , Lin Yinlei , Zhang Zixun , Chen Zhifeng , Wu Shuqing
Published: July 2016

A novel route to construct stable anti-adhesion surfaces was explored via click chemistry between the anti-adhesion macromolecules and the anchoring compound DMA to various substrates.
Iterative catalyst controlled diastereodivergent synthesis of polypropionates
Authors: Roke D. , Fañanás-Mastral M. , Feringa B. L.
Published: July 2016

Polypropionates are synthesized using a combination of a copper-catalyzed asymmetric allylic alkylation, ruthenium-catalyzed cross-metathesis and iridium-catalyzed asymmetric allylic etherification.
CuI assisted desulfurative Sonogashira reaction of mercapto N-heterocyclic derivatives with alkynes
Authors: Yang Zan , Li Jiao , Yang Tao , Zhou Congshan
Published: July 2016

A palladium catalyzed Sonogashira reaction of mercapto N-heterocyclic derivatives with terminal alkynes by using CuI as the desulfurative reagent was described in this report.
Techno-economic analysis of tandem photovoltaic systems
Authors: Peters I. M. , Sofia S. , Mailoa J. , Buonassisi T.
Published: July 2016

We investigate under which circumstances a tandem solar cell is economically preferable to the comprising single junction counterparts.
Intercalation of sulfate anions into a Zn–Al layered double hydroxide: their synthesis and application in Zn–Ni secondary batteries
Authors: Liu Yanzhen , Yang Zhanhong
Published: July 2016

ZnAl–SO4-LDH was prepared via an anion-exchange process using ZnAl–CO3-LDH as a precursor.
Adsorption performance of Cr(vi) onto Al-free and Al-substituted ferrihydrites
Authors: Ni Chunyan , Liu Shan , Cui Linjing , Han Zhao , Wang Lin , Chen Rufen , Liu Hui
Published: July 2016

Al-Substituted ferrihydrite exhibits a higher adsorption capacity for Cr(vi) than pure ferrihydrite.
Soluble nanographene as a novel cool matrix for small molecule analysis using MALDI-TOF MS
Authors: Wei He , Wei Junfa , Zhang Zhiqi , Wang Yan , Zhang Jing
Published: July 2016

A nanographene material (hexa-peri-hexabenzocircumcoronenes) was applied for the first time as a matrix for the analysis of low molecular weight compounds by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS).
One-pot synthesis of sulfur-doped graphene quantum dots as a novel fluorescent probe for highly selective and sensitive detection of lead(ii)
Authors: Bian Shiyue , Shen Chao , Hua Hong , Zhou Lin , Zhu Hailin , Xi Fengna , Liu Jiyang , Dong Xiaoping
Published: July 2016

A facile strategy was developed for the one-step synthesis of S-GQDs with a monolayer-graphene crystal structure. The change of surface chemistry by S-doping resulted in selective and sensitive detection of Pb2+.
The use of solvent-soaking treatment to enhance the anisotropic mechanical properties of electrospun nanofiber membranes for water filtration
Authors: Cai Jie , Zhang Qian , Lei Miao , He Jingren , Liu Gang
Published: July 2016

The solvent-soaking treatment for improving the tensile strength of B-CA mats is proposed. A fibrous structure with changed morphology and molecular orientation resulted. These results showed important influences on the mechanical properties.
Synthesis of 2-aminothiazoles from methylcarbonyl compounds using a Fe3O4 nanoparticle-N-halo reagent catalytic system
Authors: Sadeghi Masoud , Safari Javad , Zarnegar Zohre
Published: July 2016

An efficient protocol is developed for the synthesis of 2-aminothiazoles from unfunctionalized methylcarbonyl compounds using Fe3O4 nanoparticle-N-halo reagent catalytic systems.
Preparation of broccoli-like ferromagnetic cobalt microstructures with superior coercivity via an aqueous reduction strategy
Authors: Xiao Huanhuan , Fu Zhiqiang , Chen Keling , Long Qin , Deng Yi , Xie Kenan
Published: July 2016

Controlled synthesis of novel hierarchical cobalt (Co) microstructures with extraordinary magnetic performances is a promising strategy for the development of magnetic metals for industrial purposes.
Zeolite Y nanoparticle assemblies with high activity in the direct hydration of terminal alkynes
Authors: Xu Shuling , Yun Zhi , Feng Yu , Tang Ting , Fang Zhongxue , Tang Tiandi
Published: July 2016

A strong acidic zeolite Y nanoparticle assembly (HNANO-Y) with a micro–meso–macroporous structure was synthesized and used as a highly efficient heterogeneous catalyst for the hydration of alkynes to prepare ketone compounds.
Synthesis of the first magnetic nanoparticles with a thiourea dioxide-based sulfonic acid tag: application in the one-pot synthesis of 1,1,3-tri(1H-indol-3-yl) alkanes under mild and green conditions
Authors: Zolfigol Mohammad Ali , Ayazi-Nasrabadi Roya
Published: July 2016

Synthesis of the first thiourea dioxide-based silica-coated Fe3O4magnetic nanoparticles as an exquisite, extraordinary and effective catalyst for the synthesis of 1,1,3-tri(1H-indol-3-yl) alkane derivatives.
Methylcellulose-assisted synthesis of a compact and thin NaA zeolite membrane
Authors: Wei Xue-Ling , Liang Shuai , Xu Yao-Yi , Sun Ya-Li , An Jun-Fang , Chao Zi-Sheng
Published: July 2016

The addition of methylcellulose (MC) in synthesis solution helped to patch the defects and retard the thickening of NaA zeolite membrane prepared via microwave heating.
New short-channel SBA-15 mesoporous silicas functionalized with polyazamacrocyclic ligands for selective capturing of palladium ions in HNO3media
Authors: Wu Fengcheng , Ye Gang , Liu Yuekun , Yi Rong , Huo Xiaomei , Lu Yuexiang , Chen Jing
Published: July 2016

Novel polyazamacrocyclic ligand decorated short-channel mesoporous silicas with the ability to selectively capture palladium ions in HNO3solutions.
Kinetic investigations of chlorine atom initiated photo oxidation reactions of 2,3-dimethyl-1,3-butadiene in the gas phase: an experimental and theoretical study
Authors: Vijayakumar S. , Rajakumar B.
Published: July 2016

Rate coefficients for the reaction of chlorine atoms with 2,3-dimethyl-1,3-butadiene were measured over the temperature range of 269–393 K by using a relative rate experimental method with reference to isoprene and 1-pentene.
Multiamino polymeric capping of fluorescent silver nanodots as an effective protective, amphiphilic and pH/thermo-responsive coating
Authors: García-Bosch N. , Liras M. , Quijada-Garrido I. , García O.
Published: July 2016

New multiamino thermosensitive polymers based on MEO2MA have been described and used to the in situ synthesis of polymeric capped silver nanodots. The new highly luminescent hybrids show amphiphilic and pH/thermo-responsiveness.
Ultrafast single-droplet bouncing actuator with electrostatic force on superhydrophobic electrodes
Authors: Lee Seulah , Lee Sanggeun , Hwang Hyunseok , Hong Juree , Lee Soonil , Lee Jaehong , Chae Youngcheol , Lee Taeyoon
Published: July 2016

The ultrafast bouncing motion of a liquid droplet has been investigated for droplet manipulation with a single droplet actuator using an electrostatic force for the first time.
Precisely regulated galactosylation of nucleoside analogues in aqueous hydrophilic solvents catalyzed by solvent-stable β-galactosidase
Authors: Zhou Youzhi , Chu Jianlin , Zhang Jinsong , Liu Ke , He Bingfang
Published: July 2016

Precisely regulated galactosylation of nucleoside analogues by the addition of aqueous hydrophilic solvents.
Hexagonal sheet-like mesoporous titanium phosphate for highly efficient removal of lead ion from water
Authors: Chowdhury Ipsita Hazra , Naskar Milan Kanti
Published: July 2016

Hexagonal sheet-like mesoporous titanium phosphate nanostructured materials synthesized via a simple hydrothermal method showed highly efficient removal of Pb(ii) ions from water.
An ultrasound-assisted ion association dispersive liquid–liquid microextraction coupled with micro-volume spectrofluorimetry for chromium speciation
Authors: Ahmad Waqas , Al-Sibaai A. , Bashammakh A. S. , Alwael H. , El-Shahawi M. S.
Published: July 2016

A micro-volume spectrofluorimetric coupled ultrasound-assisted ion association dispersive liquid–liquid microextraction (USA-IA-DLLME) procedure for the total determination and speciation of chromium(iii & vi) species has been presented.
The effective removal of Cr(vi) ions by carbon dot–silica hybrids driven by visible light
Authors: Liu Yun , Ma Yu-jie , Liu Chun-yan , Zhang Zhi-ying , Yang Wen-dong , Nie Shi-dong , Zhou Xue-hua
Published: July 2016

A carbon dot–silica hybrid with a high dosage of CDs demonstrated significant visible light absorption, a large Cr(vi) adsorption capacity and good photocatalytic activity for the reduction of Cr(vi) in visible light.
Efficient quasi-solid state dye sensitized solar cell using succinonitrile : thiourea based electrolyte composition
Authors: Jauhari H. , Grover R. , Nanda O. , Saxena K.
Published: July 2016

SEM micrograph of the optimized electrolyte with SCN : TU. Inset shows the current density–voltage characteristics of the DSSCs with reference and optimized electrolytes, A1 and A2, respectively.
Optimized Zn2SnO4 nanoparticles with enhanced performance for photodetectors and photocatalysts
Authors: Wang Yu-Fen , Ding Yang , Zhao Jin-Sheng , Wang Xin , Li De-Jun , Li Xi-Fei
Published: July 2016

Zn2SnO4 nanoparticles with different sizes are successfully synthesized by a very convenient hydrothermal process. Moreover, the photocurrent response and photocatalytic activity properties of them have been studied in detail.
Engineering polydimethylsiloxane with two-dimensional graphene oxide for an extremely durable superhydrophobic fabric coating
Authors: Yan Hong , Zhou Hui , Ye Qun , Wang Xiaobai , Cho Ching Mui , Tan Angeline Yan Xuan , Xu Jianwei
Published: July 2016

A type of nanostructured material comprising reduced graphene oxide (RGO) modified polydimethylsiloxane (PDMS) for fabric coating is described.
A novel functionalized pillar[5]arene for forming a fluorescent switch and a molecular keypad
Authors: Wei Tai-Bao , Chen Jin-Fa , Cheng Xiao-Bin , Li Hui , Lin Qi , Yao Hong , Zhang You-Ming
Published: July 2016

The sensing mechanism of the sensor PC5 to Fe3+.
The seed stimulant effect of nano iron pyrite is compromised by nano cerium oxide: regulation by the trace ionic species generated in the aqueous suspension of iron pyrite
Authors: Das Chinmaya Kumar , Srivastava Gaurav , Dubey Amarish , Verma Shourya , Saxena Manav , Roy Manas , Sethy Niroj Kumar , Bhargava Kalpana , Singh Sushil Kumar , Sarkar Sabyasachi , Philip Deepu , Das Mainak
Published: July 2016

A brief seed pretreatment of 12 hours, in an aqueous suspension of synthesized nano iron pyrite (FeS2), significantly increases the yield of spinach and other crops.
Sphere-like CoS with nanostructures as peroxidase mimics for colorimetric determination of H2O2 and mercury ions
Authors: Yang Haiguan , Zha Junqi , Zhang Peng , Xiong Yuhao , Su Linjing , Ye Fanggui
Published: July 2016

CoS, which was prepared using a facile solvothermal method, and characterized using various analytical techniques, was demonstrated for the first time to exhibit intrinsic peroxidase-like activity.
Mechanisms into dehydroaromatization of bio-derived limonene to p-cymene over Pd/HZSM-5 in the presence and absence of H2
Authors: Cui Huimei , Zhang Jingjing , Luo Zhicheng , Zhao Chen
Published: July 2016

The mechanisms of dehydroaromatization of limonene to p-cymene are intrinsically investigated over Pd/HZSM-5 under different N2/H2 atmospheres using the mathematical tool of Matlab.
Visible light photocatalysis by metal-to-metal charge transfer for degradation of methyl orange
Authors: Ireland C. P. , Palgrave R. G. , Bennett S. C. , Smith A. W. J. , Clark J. H. , Darwent J. R. , Claridge J. B. , Poulston S. , Rosseinsky M. J.
Published: July 2016

We have impregnated chromium(iii) onto a particulate niobium oxide to make bulk oxide–oxide interfaces, identifying by a combination of XPS and diffuse reflectance the energy of the metal-to-metal charge transfer transition that is responsible for the visible light photocatalytic decomposition of methyl orange.
Homologous V2O3/C box-in-box and V2O5 box for lithium-ion full cells
Authors: Liu Xue , Hu Yanjie , Jia Guiqi , Zhang Haoxuan , Jiang Hao , Li Chunzhong
Published: July 2016

We demonstrate the design and synthesis of homologous V2O3/C box-in-box and V2O5 box as anodes and cathodes for all-nanobox based LIBs full cell, delivering an impressive electrochemical performance.
Chemical vapor deposition grown formamidinium perovskite solar modules with high steady state power and thermal stability
Authors: Leyden Matthew R. , Jiang Yan , Qi Yabing
Published: July 2016

Solution processed MAPbI3 perovskite solar modules exhibit significant performance deterioration due to light illumination induced heating. Solar modules using FAPbI3 perovskite films grown by CVD solve this issue and show much better thermal stability.
Microporous polyimides with functional groups for the adsorption of carbon dioxide and organic vapors
Authors: Li Guiyang , Zhang Biao , Yan Jun , Wang Zhonggang
Published: July 2016

Microporous polyimides containing a high density of trifluoromethyls or benzophenone with uniform pores are synthesized, which possess high uptakes for CO2and aromatic and aliphatic vapors, exhibiting potential in gas storage and recovery of toxic organic vapors.
Robust fluorine-free superhydrophobic PDMS–ormosil@fabrics for highly effective self-cleaning and efficient oil–water separation
Authors: Cao Chunyan , Ge Mingzheng , Huang Jianying , Li Shuhui , Deng Shu , Zhang Songnan , Chen Zhong , Zhang Keqin , Al-Deyab Salem S. , Lai Yuekun
Published: July 2016

Robust superhydrophobic fabrics constructed by a novel environmentally friendly coating strategy demonstrate multifunctional applications for effective anti-fouling, self-cleaning and versatile oil/water separation.
One step forward to a scalable synthesis of platinum–yttrium alloy nanoparticles on mesoporous carbon for the oxygen reduction reaction
Authors: Brandiele R. , Durante C. , Grądzka E. , Rizzi G. A. , Zheng J. , Badocco D. , Centomo P. , Pastore P. , Granozzi G. , Gennaro A.
Published: July 2016

In this paper, we report the synthesis and characterization of nanoparticles of a PtxY alloy supported on a commercial mesoporous carbon with high mass and specific activity.
Guanidinium nonaflate as a solid-state proton conductor
Authors: Chen Xiaoli , Tang Haolin , Putzeys Tristan , Sniekers Jeroen , Wübbenhorst Michael , Binnemans Koen , Fransaer Jan , De Vos Dirk E. , Li Qingfeng , Luo Jiangshui
Published: July 2016

Guanidinium nonaflate, a novel pure protic organic ionic plastic crystal (POIPC) with an elegant symmetrical cation, is discovered to be a new solid-state proton conductor.
Biodegradable poly(ε-caprolactone) as a controlled drug delivery vehicle of vancomycin for the treatment of MRSA infection
Authors: Rai Alok , Senapati Sudipta , Saraf Shyam K. , Maiti Pralay
Published: July 2016

Biodegradable poly(ε-caprolactone) (PCL) is developed as a controlled drug delivery vehicle of for an efficient treatment of bone infection and to avoid second surgery.
Ultraviolet and blue cathodoluminescence from cubic Y2O3and Y2O3:Eu3+generated in a transmission electron microscope
Authors: den Engelsen D. , Fern G. R. , Ireland T. G. , Harris P. G. , Hobson P. R. , Lipman A. , Dhillon R. , Marsh P. J. , Silver J.
Published: July 2016

The investigation of cubic spherical submicron particles of non-doped Y2O3and Y2O3doped with Eu3+in a TEM using CL from individual particles is described.
Effect of cyano-substitution in distyrylbenzene derivatives on their fluorescence and electroluminescence properties
Authors: Li Chuan , Hanif Muddasir , Li Xianglong , Zhang Shitong , Xie Zengqi , Liu Linlin , Yang Bing , Su Shijian , Ma Yuguang
Published: July 2016

Substitution position of cyano-groups plays key role in the fluorescence properties through affecting the local charge transfer and excited states.
Magnetic properties of the Laves-type phases Ti2Co3Si and Ti2Fe3Si and their solid solution
Authors: Hamm Christin M. , Gölden Dominik , Hildebrandt Erwin , Weischenberg Jürgen , Zhang Hongbin , Alff Lambert , Birkel Christina S.
Published: July 2016

The full solid solution between Ti2Co3Si and Ti2Fe3Si was prepared and a transition from antiferromagnetic to ferromagnetic behavior observed.
Bioinspired fabrication of optical fiber SPR sensors for immunoassays using polydopamine-accelerated electroless plating
Authors: Shi Se , Wang Libing , Wang Akang , Huang Renliang , Ding Li , Su Rongxin , Qi Wei , He Zhimin
Published: July 2016

A facile, rapid and effective method was developed for the fabrication of FO-SPR sensors via polydopamine-accelerated electroless plating.
Multiple Dirac cones in BN co-doped β-graphyne
Authors: Mu Yuewen , Li Si-Dian
Published: July 2016

BN co-doped β-graphyne (β-GY) was investigated using state-of-the-art theoretical calculations.
Nicotinamide N-methyltransferase catalyses the N-methylation of the endogenous β-carboline norharman: evidence for a novel detoxification pathway
Authors: Thomas Martin G. , Sartini Davide , Emanuelli Monica , van Haren Matthijs J. , Martin Nathaniel I. , Mountford David M. , Barlow David J. , Klamt Fábio , Ramsden David B. , Reza Madeehah , Parsons Richard B.
Published: July 2016

Nicotinamide N-methyltransferase (NNMT) is responsible for the N-methylation of nicotinamide to 1-methylnicotinamide. Our recent studies have demonstrated that NNMT regulates cellular processes fundamental to the correct functioning and survival of the cell. It has been proposed that NNMT may possess β-carboline (BC) N-methyltransferase activity, endogenously and exogenously produced pyridine-containing compounds which, when N-methylated, are potent inhibitors of Complex I and have been proposed to have a role in the pathogenesis of Parkinson's disease. We have investigated the ability of recombinant NNMT to N-methylate norharman (NH) to 2-N-methylnorharman (MeNH). In addition, we have investigated the toxicity of the BC NH, its precursor 1,2,3,4-tetrahydronorharman (THNH) and its N-methylated metabolite MeNH, using our in vitro SH-SY5Y NNMT expression model. Recombinant NNMT demonstrated NH 2N-methyltransferase activity, with a Km of 90 ± 20 µM, a kcat of 3 × 10−4 ± 2 × 10−5 s−1 and a specificity constant (kcat/Km) of 3 ± 1 s−1 M−1. THNH was the least toxic of all three compounds investigated, whereas NH demonstrated the greatest, with no difference observed in terms of cell viability and cell death between NNMT-expressing and non-expressing cells. In NNMT-expressing cells, MeNH increased cell viability and cellular ATP concentration in a dose-dependent manner after 72 and 120 h incubation, an effect that was not observed after 24 h incubation or in non-NNNT-expressing cells at any time point. Taken together, these results suggest that NNMT may be a detoxification pathway for BCs such as NH.
Preeclampsia and the brain: neural control of cardiovascular changes during pregnancy and neurological outcomes of preeclampsia
Authors: Logue Omar C. , George Eric M. , Bidwell Gene L.
Published: July 2016

Preeclampsia (PE) is a form of gestational hypertension that complicates ∼5% of pregnancies worldwide. Over 70% of the fatal cases of PE are attributed to cerebral oedema, intracranial haemorrhage and eclampsia. The aetiology of PE originates from abnormal remodelling of the maternal spiral arteries, creating an ischaemic placenta that releases factors that drive the pathophysiology. An initial neurological outcome of PE is the absence of the autonomically regulated cardiovascular adaptations to pregnancy. PE patients exhibit sympathetic overactivation, in comparison with both normotensive pregnant and hypertensive non-pregnant females. Moreover, PE diminishes baroreceptor reflex sensitivity (BRS) beyond that observed in healthy pregnancy. The absence of the cardiovascular adaptations to pregnancy, combined with sympathovagal imbalance and a blunted BRS leads to life-threatening neurological outcomes. Behaviourally, the increased incidences of maternal depression, anxiety and post-traumatic stress disorder (PTSD) in PE are correlated to low fetal birth weight, intrauterine growth restriction (IUGR) and premature birth. This review addresses these neurological consequences of PE that present in the gravid female both during and after the index pregnancy.
Exercise-induced mitochondrial dysfunction: a myth or reality?
Authors: Ostojic Sergej M.
Published: July 2016

Beneficial effects of physical activity on mitochondrial health are well substantiated in the scientific literature, with regular exercise improving mitochondrial quality and quantity in normal healthy population, and in cardiometabolic and neurodegenerative disorders and aging. However, several recent studies questioned this paradigm, suggesting that extremely heavy or exhaustive exercise fosters mitochondrial disturbances that could permanently damage its function in health and disease. Exercise-induced mitochondrial dysfunction (EIMD) might be a key proxy for negative outcomes of exhaustive exercise, being a pathophysiological substrate of heart abnormalities, chronic fatigue syndrome (CFS) or muscle degeneration. Here, we overview possible factors that mediate negative effects of exhaustive exercise on mitochondrial function and structure, and put forward alternative solutions for the management of EIMD.
Early Expressive Language Skills Predict Long-Term Neurocognitive Outcomes in Cochlear Implant Users: Evidence from the MacArthur–Bates Communicative Development Inventories
Authors: Castellanos Irina , Pisoni David B. , Kronenberger William G. , Beer Jessica
Published: July 2016

Purpose

The objective of the present article was to document the extent to which early expressive language skills (measured using the MacArthur–Bates Communicative Development Inventories [CDI; Fenson et al., 2006]) predict long-term neurocognitive outcomes in a sample of early-implanted prelingually deaf cochlear implant (CI) users.

Method

The CDI was used to index the early expressive language skills of 32 pediatric CI users after an average of 1.03 years (SD= 0.56, range = 0.39–2.17) of CI experience. Long-term neurocognitive outcomes were assessed after an average of 11.32 (SD= 2.54, range = 7.08–16.52) years of CI experience. Measures of long-term neurocognitive outcomes were derived from gold-standard performance-based and questionnaire-based assessments of language, executive functioning, and academic skills.

Result

Analyses revealed that early expressive language skills, collected on average 1.03 years post cochlear implantation, predicted long-term language, executive functioning, and academic skills up to 16 years later.

Conclusion

These findings suggest that early expressive language skills, as indexed by the CDI, are clinically relevant for identifying CI users who may be at high risk for long-term neurocognitive delays and disturbances.
Evidence That Bimanual Motor Timing Performance Is Not a Significant Factor in Developmental Stuttering
Authors: Hilger Allison I. , Zelaznik Howard , Smith Anne
Published: July 2016

Purpose

Stuttering involves a breakdown in the speech motor system. We address whether stuttering in its early stage is specific to the speech motor system or whether its impact is observable across motor systems.

Method

As an extension of Olander, Smith, and Zelaznik (2010), we measured bimanual motor timing performance in 115 children: 70 children who stutter (CWS) and 45 children who do not stutter (CWNS). The children repeated the clapping task yearly for up to 5 years. We used a synchronization-continuation rhythmic timing paradigm. Two analyses were completed: a cross-sectional analysis of data from the children in the initial year of the study (ages 4;0 [years;months] to 5;11) compared clapping performance between CWS and CWNS. A second, multiyear analysis assessed clapping behavior across the ages 3;5–9;5 to examine any potential relationship between clapping performance and eventual persistence or recovery of stuttering.

Results

Preschool CWS were not different from CWNS on rates of clapping or variability in interclap interval. In addition, no relationship was found between bimanual motor timing performance and eventual persistence in or recovery from stuttering. The disparity between the present findings for preschoolers and those of Olander et al. (2010) most likely arises from the smaller sample size used in the earlier study.

Conclusion

From the current findings, on the basis of data from relatively large samples of stuttering and nonstuttering children tested over multiple years, we conclude that a bimanual motor timing deficit is not a core feature of early developmental stuttering.
Evaluation of the Mandibular Function, after Nonsurgical Treatment of Unilateral Subcondylar Fracture: A 1-Year Follow-Up Study
Authors: Sudheesh K.M. , Desai Rajendra , Siva Bharani K. Sn , Subhalakshmi S.
Published: July 2016

There are no clearly defined guidelines for when an open or closed treatment is indicated for treatment of mandibular condylar fractures. The aim of the study is to analyze the mandibular function after nonsurgical treatment of unilateral subcondylar fractures, in a prospective study. A prospective study was conducted on 30 patients with unilateral mandibular subcondylar fracture undergoing nonsurgical treatment. Clinical and radiographic examinations were done prior to treatment and at 12-month follow-up. Pain, perceived occlusion, mouth opening, protrusion, and horizontal movements of the mandible were evaluated by clinical examination. Radiologic evaluation was done using Panoramic and Reverse Towne's radiographs. At 12-month follow-up, there was minimal pain in the temporomandibular joint region, there was an improvement in the perceived occlusion, and mouth opening did not reduce. There was insignificant absolute difference between left and right lateral mandibular movements. The amount of increase in the protrusion of mandible was insignificant. On radiographic evaluation, the degree of coronal and sagittal displacement was insignificant at follow-up. Mean ramus height pretreatment and 12 months posttreatment were 0.98 ± 0.50 and 0.87 ± 0.47, respectively. Based on this study, patients had adequate mandibular function and minimal pain after nonsurgical treatment. Unilateral subcondylar fractures of the mandible can be treated nonsurgically in patients with minimal occlusal discrepancies, adequate mouth opening, minimal displacement of condyle, and minimal ramus height shortening.
3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet
Authors: Wang Zhenyu , Lin Yu , Wang Xueyi , Tummel Kurt , Chen Liu
Published: July 2016

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio mi/me. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic mi/me. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location where k→·B→=0, consistent with previous analytical and simulation studies. Here, B→ is the equilibrium magnetic field and k→ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at k→·B→≠0. In addition, the simulation results indicate that varying mi/me, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.
Thermo-responsive mechano-optical plasmonic nano-antenna
Authors: Liu Yunbo , Park Younggeun , Lee Somin Eunice
Published: July 2016

We propose and theoretically demonstrate a mechano-optical nano-antenna over a broad temperature range. We show that there is a tunable, temperature-dependent plasmonic resonance associated with the nano-antenna geometry. We also theoretically demonstrate a matching condition for mechanical properties that is essential for maximizing thermal expansion differences across a broad temperature range. We expect that mechano-optical nano-antennas should allow for spatiotemporal temperature mapping in applications where precise measurement of local temperature is needed in real time.
Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2−
Authors: Buytendyk A. M. , Buonaugurio A. M. , Xu S.-J. , Nilles J. M. , Bowen K. H. , Kirnosov N. , Adamowicz L.
Published: July 2016

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2−. The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1− and indole(H2O)2− are 144 meV and 251 meV, respectively. The corresponding theoretically determined VDE values for indole(H2O)1− and indole(H2O)2− are 124 meV and 255 meV, respectively. The vibrational features in the photoelectron spectra of these cluster anions are assigned as the vibrations of the water molecule.
Spin transport in epitaxial graphene on the C-terminated (0001¯)-face of silicon carbide
Authors: van den Berg J. J. , Yakimova R. , van Wees B. J.
Published: July 2016

We performed a temperature dependent study of the charge and spin transport properties of epitaxial graphene on the C-terminated (0001¯) face of silicon carbide (SiC), a system without a carbon buffer layer between the graphene and the SiC. Using spin Hanle precession in the nonlocal geometry, we measured a spin relaxation length of λS = 0.7 μm at room temperature, lower than in exfoliated graphene. We show that the charge and spin diffusion coefficient, DC and DS, respectively, increasingly deviate from each other during electrical measurements up to a difference of a factor 4. Thus, we show that a model of localized states that was previously used to explain DC ≠ DS, can also be applied to epitaxial graphene systems without a carbon buffer layer. We attribute the effect to charge trap states in the interface between the graphene and the SiC.
All electrical propagating spin wave spectroscopy with broadband wavevector capability
Authors: Ciubotaru F. , Devolder T. , Manfrini M. , Adelmann C. , Radu I. P.
Published: July 2016

We developed an all electrical experiment to perform the broadband phase-resolved spectroscopy of propagating spin waves in micrometer sized thin magnetic stripes. The magnetostatic surface spin waves are excited and detected by scaled down to 125 nm wide inductive antennas, which award ultra broadband wavevector capability. The wavevector selection can be done by applying an excitation frequency above the ferromagnetic resonance. Wavevector demultiplexing is done at the spin wave detector thanks to the rotation of the spin wave phase upon propagation. A simple model accounts for the main features of the apparatus transfer functions. Our approach opens an avenue for the all electrical study of wavevector-dependent spin wave properties including dispersion spectra or non-reciprocal propagation.
Sliding Couette flow in a ribbed annulus
Authors: Moradi H. V. , Floryan J. M.
Published: July 2016

The flow in an annulus driven by the axial movement of one of the cylinders has been studied. The stationary cylinder has been fitted with axisymmetric ribs resulting in the appearance of the centrifugal-force-driven instability which leads to the formation of axial vortices. The critical stability conditions have been determined for a wide range of geometries of practical interest; these conditions include the critical Reynolds number as well as the best vortex packing. It has been shown that a sufficiently large increase of the ribs’ wavelength leads to a flow stabilization as the flow becomes nearly rectilinear, thus reducing the strength of the centrifugal force field. It has also been demonstrated that a sufficiently large decrease of the ribs’ wavelength similarly results in the flow stabilization as the stream lifts up above the ribs’ peaks and becomes more rectilinear. Reduction of the annulus’ radius leads to qualitatively different flow responses depending on the position of the moving cylinder. The critical Reynolds number is reduced and the range of the ribs’ wave numbers capable of inducing the instability is increased when the outer cylinder drives the flow. The trend is reversed when the inner cylinder drives the flow. Conditions when the ribbed cylinder is unable to induce any instability and, thus, behaves as a hydraulically smooth cylinder have been identified.
Enhanced hydrogen evolution performance of ultra thin nanoslice/nanopetal structured XS2 (X = W, Mo): From experiment to theory
Authors: Li Honglin , Yu Ke , Tang Zheng , Zhu Ziqiang
Published: July 2016

The production of H2 through water splitting to make the reaction process economical and friendly has attracted a lot attention. In this work, we synthesized the novel well-defined nanostructured WS2/MoS2 composite for using as the electrocatalyst of hydrogen evolution. The final obtained nanoslice/nanopetal nanostructured WS2/MoS2 composite possessed massive active sites that originated from its well-defined hierarchical structure with densely stacked MoS2 nanopetals. The synthesized composite exhibited significantly enhanced hydrogen evolution reaction (HER) activity and clearly superior to the pristine MoS2/WS2. With the purpose to give a theoretical explanation of the corresponding enhancement mechanism, the first-principles investigation based on the density functional theory was further employed to survey the electronic properties of different structures. Charge density difference and Bader charge analyses revealed that electrons could directional transfer from WS2 to MoS2 and provided an “electron-rich” environment, which was beneficial to the improvement of HER efficiency. These analytical methods will necessarily offer new angles to explain the enhancement mechanism of HER processes regarding the interaction between WS2 and MoS2, which can accurately elucidate the reason why composite structure exhibits a better HER performance based on the experimental results.
First measurement of the edge charge exchange recombination spectroscopy on EAST tokamak
Authors: Li Y. Y. , Yin X. H. , Fu J. , Jiang D. , Feng S. Y. , Lyu B. , Shi Y. J. , Yi Y. , Zhou X. J. , Hu C. D. , Ye M. Y. , Wan B. N.
Published: July 2016

An edge toroidal charge exchange recombination spectroscopy (eCXRS) diagnostic, based on a heating neutral beam injection (NBI), has been deployed recently on the Experimental Advanced Superconducting Tokamak (EAST). The eCXRS, which aims to measure the plasma ion temperature and toroidal rotation velocity in the edge region simultaneously, is a complement to the exiting core CXRS (cCXRS). Two rows with 32 fiber channels each cover a radial range from ∼2.15 m to ∼2.32 m with a high spatial resolution of ∼5-7 mm. Charge exchange emission of Carbon VI CVI at 529.059 nm induced by the NBI is routinely observed, but can be tuned to any interested wavelength in the spectral range from 400 to 700 nm. Double-slit fiber bundles increase the number of channels, the fibers viewing the same radial position are binned on the CCD detector to improve the signal-to-noise ratio, enabling shorter exposure time down to 5 ms. One channel is connected to a neon lamp, which provides the real-time wavelength calibration on a shot-to-shot basis. In this paper, an overview of the eCXRS diagnostic on EAST is presented and the first results from the 2015 experimental campaign will be shown. Good agreements in ion temperature and toroidal rotation are obtained between the eCXRS and cCXRS systems.
Temperature effects on large amplitude electron plasma oscillations
Authors: Stenflo L. , Brodin G.
Published: July 2016

We present a very simple model equation that can describe one-dimensional large amplitude electron plasma oscillations.
On the generation of cnoidal waves in ion beam-dusty plasma containing superthermal electrons and ions
Authors: El-Bedwehy N. A.
Published: July 2016

The reductive perturbation technique is used for investigating an ion beam-dusty plasma system consisting of two opposite polarity dusty grains, and superthermal electrons and ions in addition to ion beam. A two-dimensional Kadomtsev–Petviashvili equation is derived. The solution of this equation, employing Painlevé analysis, leads to cnoidal waves. The dependence of the structural features of these waves on the physical plasma parameters is investigated.
Ion extraction from positively biased laser-ablation plasma
Authors: Isono Fumika , Nakajima Mitsuo , Hasegawa Jun , Horioka Kazuhiko
Published: July 2016

Ions were extracted through a grounded grid from a positively biased laser-ablation plasma and the behaviors were investigated. Since the plasma was positively biased against the grounded wall, we could extract the ions without insulated gap. We confirmed formation of a virtual anode when we increased the distance between the grid and the ion collector. Results also indicated that when the ion flux from the ablation plasma exceeded a critical value, the current was strongly suppressed to the space charge limited level due to the formation of virtual anode.