bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterization of Three Tetrabromobisphenol-S Derivatives in Mollusks from Chinese Bohai Sea: A Strategy for Novel Brominated Contaminants Identification
Authors: Liu Ai-feng , Tian Yong , Yin Nuo-ya , Yu Miao , Qu Guang-bo , Shi Jian-bo , Du Yu-guo , Jiang Gui-bin
Published: July 2015

Identification of novel brominated contaminants in the environment, especially the derivatives and byproducts of brominated flame retardants (BFRs), has become a wide concern because of their adverse effects on human health. Herein, we qualitatively and quantitatively identified three byproducts of tetrabromobisphenol-S bis(2,3-dibromopropyl ether) (TBBPS-BDBPE), including TBBPS mono(allyl ether) (TBBPS-MAE), TBBPS mono(2-bromoallyl ether) (TBBPS-MBAE) and TBBPS mono(2,3-dibromopropyl ether) (TBBPS-MDBPE) as novel brominated contaminants. Meanwhile, the mass spectra and analytical method for determination of TBBPS-BDBPE byproducts were presented for the first time. The detectable concentrations (dry weight) of TBBPS-MAE, TBBPS-MBAE and TBBPS-MDBPE were in the ranges 28–394 μg/g in technical TBBPS-BDBPE and 0.1–4.1 ng/g in mollusks collected from the Chinese Bohai Sea. The detection frequencies in mollusk samples were 5%, 39%, 95% for TBBPS-MAE, TBBPS-MBAE and TBBPS-MDBPE, respectively, indicating their prevailing in the environment. The results showed that they could be co-produced and leaked into the environment with production process and might be more bioaccumulative and toxic than TBBPS-BDBPE. Therefore, the production and use of TBBPS derivatives lead to unexpected contamination to the surrounding environment. This study also provided an effective approach for identification of novel contaminants in the environment with synthesized standards and Orbitrap high resolution mass spectrometry.
Defect-Engineered Heat Transport in Graphene: A Route to High Efficient Thermal Rectification
Authors: Zhao Weiwei , Wang Yanlei , Wu Zhangting , Wang Wenhui , Bi Kedong , Liang Zheng , Yang Juekuan , Chen Yunfei , Xu Zhiping , Ni Zhenhua
Published: July 2015

Low-dimensional materials such as graphene provide an ideal platform to probe the correlation between thermal transport and lattice defects, which could be engineered at the molecular level. In this work, we perform molecular dynamics simulations and non-contact optothermal Raman measurements to study this correlation. We find that oxygen plasma treatment could reduce the thermal conductivity of graphene significantly even at extremely low defect concentration (∼83% reduction for ∼0.1% defects), which could be attributed mainly to the creation of carbonyl pair defects. Other types of defects such as hydroxyl, epoxy groups and nano-holes demonstrate much weaker effects on the reduction where the sp2 nature of graphene is better preserved. With the capability of selectively functionalizing graphene, we propose an asymmetric junction between graphene and defective graphene with a high thermal rectification ratio of ∼46%, as demonstrated by our molecular dynamics simulation results. Our findings provide fundamental insights into the physics of thermal transport in defective graphene and two-dimensional materials in general, which could help on the future design of functional applications such as optothermal and electrothermal devices.
Simultaneous determination of six plant growth regulators in fruits using high performance liquid chromatography based on solid-phase extraction and cleanup with a novel mixed-mode functionalized calixarene sorbent
Authors: Wang Fei , Zhang Wenfen , Chen Yanlong , Xu Gaigai , Deng Zhifen , Du Huifang , Wang Yixuan , Zhang Shusheng , Zhao Wenjie
Published: July 2015

Scheme of a SPE process.
Affinity-mediated capture and release of amphiphilic copolymers for controlling antimicrobial activity
Authors: Takahashi Haruko , Akiyoshi Kazunari , Kuroda Kenichi
Published: July 2015

Capture and release of amphiphilic copolymers by a nano-sized polysaccharide gel (nanogel) was controlled by altering the hydrophobic binding affinity between the copolymer chains and nanogel.
Polymer membrane with a mineral coating for enhanced curling resistance and surface wettability
Authors: Yang Hao-Cheng , Chen Yi-Fu , Ye Chen , Jin Yi-Ning , Li Hanying , Xu Zhi-Kang
Published: July 2015

A zirconia-wrapped membrane with excellent curling resistance and surface wettability was fabricated via a biomineralization process.
Photo, pH, and thermo triple-responsive spiropyran-based copolymer nanoparticles for controlled release
Authors: Chen Shuo , Jiang Fengjuan , Cao Ziquan , Wang Guojie , Dang Zhi-Min
Published: July 2015

An amphiphilic random copolymer, poly(spiropyran methacrylate-co-isopropyl acrylamide), was synthesized and self-assembled into photo-, pH-, and thermo-responsive micellar nanoparticles for controlled release due to structural changes.
Cucurbit[8]uril-mediated supramolecular photoswitching for self-preservation of mesoporous silica nanoparticle delivery system
Authors: Ma Ning , Wang Wen-Jing , Chen Si , Wang Xiao-Shuang , Wang Xiao-Qiang , Wang Shi-Bo , Zhu Jing-Yi , Cheng Si-Xue , Zhang Xian-Zheng
Published: July 2015

The self peptide was introduced into the drug loaded mesoporous silica nanoparticle surface through a supramolecular photoswitchable heteroternary complexation, leading to photosensitive drug release.
A unique “cage-in-cage” metal–organic framework based on nested cages from interpenetrated networks
Authors: Zhou Ting-Ting , Xuan Zhi-Hong , Zhang Da-Shuai , Chang Ze , Zhang Ying-Hui , Bu Xian-He
Published: July 2015

A novel “cage-in-cage” metal–organic framework was obtained based on nested cage structures originated from two-fold interpenetrated networks, which indicates the potential of interpenetration in structure modulation of cage-based MOFs.
Ln3+-doped hydroxyapatite nanocrystals: controllable synthesis and cell imaging
Authors: Zheng Xiaoyan , Liu Meiying , Hui Junfeng , Fan Daidi , Ma Haixia , Zhang Xiaoyong , Wang Yaoyu , Wei Yen
Published: July 2015

A series of novel HAp:Ln3+ (Ln = Eu or Tb) nanocrystals with tunable aspect ratios were prepared via facile hydrothermal synthetic routes and utilized for biological imaging applications.
A new, layered monoclinic phase of Co3O4 at high pressure
Authors: Kaewmaraya Thanayut , Luo Wei , Yang Xiao , Panigrahi Puspamitra , Ahuja Rajeev
Published: July 2015

We present the crystal structures and electronic properties of a Co3O4 spinel under high pressure.
A first principles study of CO2 adsorption on α-SiO2(001) surfaces
Authors: Malyi Oleksandr I. , Thiyam Priyadarshini , Boström Mathias , Persson Clas
Published: July 2015

CO2 interaction with cleaved and reconstructed α-SiO2(001) surfaces is studied using first principles calculations.
Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods
Authors: Banerjee Shiladitya , Stüker Tony , Saalfrank Peter
Published: July 2015

Time-dependent correlation function-based optical spectroscopy is systematically used to investigate the effects of substitution on pristine diamondoids.
Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding
Authors: Cabezas Carlos , Robben Martinus A. T. , Rijs Anouk M. , Peña Isabel , Alonso J. L.
Published: July 2015

Dipeptide Ac-Ser-NH2has been investigated using rotational spectroscopy with the polar side chain of serine, which is shown to be at the origin of the conformational locking to a γ-turn species.
The effect of confinement on the crystalline microstructure of polymer : fullerene bulk heterojunctions
Authors: Ashraf A. , Dissanayake D. M. N. M. , Eisaman M. D.
Published: July 2015

We investigate the effect of confinement on the crystalline microstructure of the polymer component of polymer : fullerene bulk heterojunction thin films using grazing incidence wide angle X-ray scattering.
Theoretical study on catalyzed selective photoreduction mechanism for 4-bromobenzaldehyde in two different solvents
Authors: Huang Xiao , Peng Liang , Gu Feng Long , Zhang Ruiqin
Published: July 2015

Photoreduction of 4-bromobenzaldehyde is selective in different solvents. Both photoelectrons and alcohol radicals play important roles in this reaction.
Activated carbon supported ternary gold–cesium(i)–indium(iii) catalyst for the hydrochlorination of acetylene
Authors: Zhao Jia , Zhang Tongtong , Di Xiaoxia , Xu Jiangtao , Gu Shanchuan , Zhang Qunfeng , NI Jun , Li Xiaonian
Published: July 2015

Promoting the effect of indium(iii) on activated carbon supported gold–cesium(i) catalyst in acetylene hydrochlorination.
Methanation of CO2 and reverse water gas shift reactions on Ni/SiO2 catalysts: the influence of particle size on selectivity and reaction pathway
Authors: Wu H. C. , Chang Y. C. , Wu J. H. , Lin J. H. , Lin I. K. , Chen C. S.
Published: July 2015

The consecutive and parallel reaction pathways show preferences for small Ni clusters and large Ni particles, respectively.
A phthalazine-based two-in-one chromogenic receptor for detecting Co2+and Cu2+in an aqueous environment
Authors: Lee Jae Jun , Choi Ye Won , You Ga Rim , Lee Sun Young , Kim Cheal
Published: July 2015

A new phthalazine-based sensor1was developed as a colorimetric sensor and test kit to quantify Co2+and Cu2+.
Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn
Authors: Myers Thomas W. , Sherbow Tobias J. , Fettinger James C. , Berben Louise A.
Published: July 2015

The synthesis and electronic structure of bis(imino)pyridine (I2P) complexes of the divalent metal ions, Zn(ii) and Mg(ii) are reported, and a correlation between the ligand Cim–Cpy bond lengths with the ligand torsion angle is described. Structural comparison with a new complex of Al(iii) and previously reported Al(iii) complexes is included.
Structure and electronic properties of MoVO type mixed-metal oxides – a combined view by experiment and theory
Authors: Chiu Cheng-chau , Vogt Thomas , Zhao Lili , Genest Alexander , Rösch Notker
Published: July 2015

The current state of experimental and theoretical work on structure and reactivity of MoVO type mixed-metal oxides is critically reviewed.
Alkynyl triphosphine copper complexes: synthesis and photophysical studies
Authors: Chakkaradhari Gomathy , Belyaev Andrey A. , Karttunen Antti J. , Sivchik Vasily , Tunik Sergey P. , Koshevoy Igor O.
Published: July 2015

A chelating triphosphine was used to synthesize luminescent mono-, di- and trinuclear copper(i) alkynyl complexes, the photophysical properties of which are determined by the nature of alkynyl groups.
Synthesis, structure and properties of [Co(NCS)2(4-(4-chlorobenzyl)pyridine)2]n, that shows slow magnetic relaxations and a metamagnetic transition
Authors: Werner Julia , Tomkowicz Zbigniew , Rams Michał , Ebbinghaus Stefan G. , Neumann Tristan , Näther Christian
Published: July 2015

[Co(NCS)2(4-(4-chlorobenzyl)pyridine)2]n shows a metamagnetic behavior and slow relaxations of magnetization indicative of a single chain magnet behavior.
Gd–Si oxide mesoporous nanoparticles with pre-formed morphology prepared from a Prussian blue analogue template
Authors: Cabrera-García Alejandro , Vidal-Moya Alejandro , Bernabeu Ángela , Sánchez-González Javier , Fernández Eduardo , Botella Pablo
Published: July 2015

A novel approach to the synthesis of Gd–Si oxide mesoporous nanoparticles is carried out by using a Prussian blue analogue as a sacrificial template and a further pseudomorphic transformation.
Operando electrochemical NMR microscopy of polymer fuel cells
Authors: Cattaneo A. S. , Villa D. C. , Angioni S. , Ferrara C. , Melzi R. , Quartarone E. , Mustarelli P.
Published: July 2015

Electrochemical NMR microscopy is a breakthrough inoperandocharacterization of electrochemical devices, such as fuel cells and batteries.
The discovery of a novel antibiotic for the treatment of Clostridium difficile infections: a story of an effective academic–industrial partnership
Authors: Mann John , Taylor Peter W. , Dorgan Colin R. , Johnson Peter D. , Wilson Francis X. , Vickers Richard , Dale Aaron G , Neidle Stephen
Published: July 2015

The story of the discovery of the bis-benzimidazole derivative SMT19969, which is currently in clinical trials against the pathogenClostridium difficile.
The involvement of vimentin in copper-induced regression of cardiomyocyte hypertrophy
Authors: Li Rui , Bourcy Katherine , Wang Tao , Sun Miao , Kang Y. James
Published: July 2015

Vimentin is critically involved in the VEGFR-1 mediated activation of the PKG-1 signaling pathway, leading to the regression of cardiomyocyte hypertrophy.
Interaction of mercury and selenium in the larval stage zebrafish vertebrate model
Authors: MacDonald Tracy C , Korbas Malgorzata , James Ashley K , Sylvain Nicole J , Hackett Mark J , Nehzati Susan , Krone Patrick H , George Graham N , Pickering Ingrid J
Published: July 2015

The compounds of mercury can be more toxic than those of any other non-radioactive heavy element. Despite this, environmental mercury pollution and human exposure to mercury are widespread, and are increasing. While the unusual ability of selenium to cancel the toxicity of mercury compounds has been known for nearly five decades, only recently have some aspects of the molecular mechanisms begun to be understood. We report herein a study of the interaction of mercury and selenium in the larval stage zebrafish, a model vertebrate system, using X-ray fluorescence imaging. Exposure of larval zebrafish to inorganic mercury shows nano-scale structures containing co-localized mercury and selenium. No such co-localization is seen with methylmercury exposure under similar conditions. Micro X-ray absorption spectra support the hypothesis that the co-localized deposits are most likely comprised of highly insoluble mixed chalcogenide HgSxSe(1−x) where x is 0.4–0.9, probably with the cubic zincblende structure.
One step synthesis of fatty acid diethanolamides and methyl esters from triglycerides using sodium doped calcium hydroxide as a nanocrystalline heterogeneous catalyst
Authors: Kumar Dinesh , Kim Soo Min , Ali Amjad
Published: July 2015

A recyclable heterogeneous catalyst based direct aminolysis of vegetable oils.
Halogen, chalcogen and pnictogen interactions in (XNO2)2homodimers (X = F, Cl, Br, I)
Authors: Trujillo Cristina , Sánchez-Sanz Goar , Alkorta Ibon , Elguero José
Published: July 2015

XNO2(X = F, Cl, Br and I) homodimers present a large variety of interactions. A combination of pnictogen and chalcogen is stronger than single halogen bonds.
Cadmium sulfide quantum dots stabilized by aromatic amino acids for visible light-induced photocatalytic degradation of organic dyes
Authors: Zhang Jie , Guo Yuming , Fang Hui , Jia Weili , Li Han , Yang Lin , Wang Kui
Published: July 2015

CdS QDs stabilized by aromatic amino acids photocatalytically degrade organic dyes under visible light irradiation through mediation of hydroxyl radicals.
Electrospun nitrogen and carbon co-doped porous TiO2 nanofibers with high visible light photocatalytic activity
Authors: Liu Xinping , Chen Yanying , Cao Changlin , Xu Jing , Qian Qingrong , Luo Yongjin , Xue Hun , Xiao Liren , Chen Yuming , Chen Qinghua
Published: July 2015

Synergistic effects were generated over N and C co-doped porous TiO2 nanofibers prepared by electrospinning and calcining technologies.
α-Fe2O3 hexagonal cones synthesized from the leaf extract of Azadirachta indica and its thermal catalytic activity
Authors: Sharma Jitendra Kumar , Srivastava Pratibha , Akhtar M. Shaheer , Singh Gurdip , Ameen Sadia
Published: July 2015

This work reports the synthesis of α-Fe2O3 hexagonal cones by green synthesis using Azadirachta indica leaf extract and their utilization as an efficient burn rate catalyst for the thermal decomposition of ammonium perchlorate (AP) and enhancing the burning rate of CSPs.
Double role of hydroxy group for water dispersibility and luminescence of REF3 (RE = Yb, Er, Tm) based mesocrystals
Authors: He Xiang-Hong , Yan Bing
Published: July 2015

The presence of OH groups on the surfaces of hydrophilic YbF3:Er3+ mesocrystals not only rendered excellent dispersion in water, but also prohibited upconversion visible luminescence.
Fullerene stabilized gold nanoparticles
Authors: Islam Md Tariqul , Molugu Sudheer K. , Cooke Peter H. , Noveron Juan C.
Published: July 2015

Gold nanoparticles directly coated with fullerene molecules that are negatively charged and soluble in polar solvents.
Screening of quinoline, 1,3-benzoxazine, and 1,3-oxazine-based small molecules against isolated methionyl-tRNA synthetase and A549 and HCT116 cancer cells including an in silico binding mode analysis
Authors: Bharathkumar Hanumantharayappa , Mohan Chakrabhavi Dhananjaya , Rangappa Shobith , Kang Taehee , Keerthy H. K. , Fuchs Julian E. , Kwon Nam Hoon , Bender Andreas , Kim Sunghoon , Basappa Basappa , Rangappa Kanchugarakoppal S.
Published: July 2015

Elevated activity of methionyl-tRNA synthetase (MRS) in many cancers renders it a possible drug target in this disease area, as well as in a series of parasitic diseases.
Cyclic acetals as cleavable linkers for affinity capture
Authors: Lee Siyeon , Wang Wei , Lee Younjoo , Sampson Nicole S.
Published: July 2015

A cyclic acetal moiety is an acid-sensitive linker for affinity capture and which provides an aldehyde for further elaboration.
Au nanoparticle decorated WO3 photoelectrode for enhanced photoelectrochemical properties
Authors: Xu Fang , Yao Yanwen , Bai Dandan , Xu Ruishu , Mei Jingjing , Wu Dapeng , Gao Zhiyong , Jiang Kai
Published: July 2015

WO3–Au photoanode exhibited about 4 times enhancement of photocurrent density compared to WO3 photoanode because WO3–Au possess the higher light absorption and lower transport resistance due to surface plasmonic resonance of Au nanoparticles.
3D-gold superstructures grown on a poly(acrylic acid) brush
Authors: Wang Wenqin , Ren Guohong , Cai Wujin
Published: July 2015

3D-gold octahedra superstructures are fabricated on a PAA brush using the seed-mediated growth method. The morphologies of the gold micronanostructures can be tuned by a strategy which opens up a new possibility for shape-controlled growth of noble metal structures.
Oxidation and reduction performance of 1,1,1-trichloroethane in aqueous solution by means of a combination of persulfate and zero-valent iron
Authors: Gu Xiaogang , Lu Shuguang , Guo Xuhong , Sima Jingke , Qiu Zhaofu , Sui Qian
Published: July 2015

TCA degradation performance by both persulfate oxidation and enhanced ZVI reduction in the persulfate–ZVI system.
Beneficiary effect of nanosizing ferric pyrophosphate as food fortificant in iron deficiency anemia: evaluation of bioavailability, toxicity and plasma biomarker
Authors: Srinivasu Bindu Y. , Mitra Gopa , Muralidharan Monita , Srivastava Deepsikha , Pinto Jennifer , Thankachan Prashanth , Suresh Sudha , Shet Arun , Rao Suguna , Ravikumar Gayatri , Thomas Tinku S. , Kurpad Anura V. , Mandal Amit K.
Published: July 2015

NP-Fe4(P2O7)3significantly improved hemoglobin level in iron-deficient rats and Fetuin-B showed differential biological response across NP doses through plasma proteomics.
An amorphous barium titanate thin film improves light trapping in Si solar cells
Authors: Sharma A. K. , Priyadarshini B. Geetha , Mehta B. R. , Kumar Dinesh
Published: July 2015

A new anti-reflection coating based on amorphous barium titanate (a-BTO) was developed using RF magnetron sputtering technique.
Application of nickel ferrite and cobalt ferrite magnetic nanoparticles in C–O bond formation: a comparative study between their catalytic activities
Authors: Moghaddam Firouz Matloubi , Tavakoli Ghazal , Aliabadi Ali
Published: July 2015

Magnetic reusable nickel- and cobalt ferrite nanoparticles were used as catalysts for the first time in the C–O coupling reaction successfully.
Study of the morphology and texture of poly(ε-caprolactone)/polyethylene oxide blend films as a function of composition and the addition of nanofillers with different functionalities
Authors: Causa Andrea , Filippone Giovanni , Domingo Concepción , Salerno Aurelio
Published: July 2015

Aiming to prepare films of semicrystalline polymer blends through solvent casting, the surface morphology and texture can be tuned by varying the polymer content and/or adding nanoparticles to the starting solution.
Single step synthesis of a ‘silver–polymer hybrid material’ and its catalytic application
Authors: Choudhary Meenakshi , Siwal Samarjeet , Mallick Kaushik
Published: July 2015

Silver nanoparticle catalysed electro-oxidation of hydrogen peroxide.
Study on hydrogen generation from the hydrolysis of a ball milled aluminum/calcium hydride composite
Authors: Liu Yongan , Wang Xinhua , Liu Haizhen , Dong Zhaohui , Li Shouquan , Ge Hongwei , Yan Mi
Published: July 2015

Metal Al was ball milled with CaH2 to improve its hydrolysis properties. The effects of reaction temperature and milling conditions are investigated and the hydrogen production of Al powder has been greatly optimized.
Polyurethanes prepared from isocyanates containing triphenylamine derivatives: synthesis and optical, electrochemical, electrochromic and memory properties
Authors: Wu Xiaotong , Wu Yanshuang , Zhang Chunyu , Niu Haijun , Lei Lei , Qin Chuanli , Wang Cheng , Bai Xuduo , Wang Wen
Published: July 2015

Electrochromic behaviors of a PU (M1)-b thin film (in CH3CN with 0.1 M LiCO4 as the supporting electrolyte) at 0.0 V to 1.40 V (insets are the pictures of oxidized PU (M1)-b).
Interpenetrated 3D porous scaffolds of silk fibroin with an amino and octadecyl functionalized hyaluronic acid
Authors: Palumbo F. S. , Fiorica C. , Pitarresi G. , Agnello S. , Giammona G.
Published: July 2015

A functionalized HA derivative (HA–EDA–C18) was processed with silk fibroin via a salt leaching procedure to produce stable porous scaffolds for biomedical applications. The HA derivative was able to induce β-sheet transitions on fibroin.
Chain length effect on drug delivery of chrysin modified mPEG–PCL micelles
Authors: Liang Yan , Peng Xinyu , Chen Ying , Deng Xin , Gao Wenxia , Cao Jun , Chang Jing , Gu Zhongwei , He Bin
Published: July 2015

The chain length effect of chrysin modified mPEG–PCL micelles with exciting doxorubicin loading capacity on drug delivery was investigated.
Synthesis and phase transfer of well-defined BiVO4 nanocrystals for photocatalytic water splitting
Authors: Yehezkeli Omer , Harguindey Albert , Domaille Dylan W. , He Liangcan , Cha Jennifer N.
Published: July 2015

A method to synthesize BiVO4 nanoparticles and nanorods hydrothermally using sodium oleate as a capping ligand is presented.
Adsorption behavior of dodecyl hydroxypropyl sulfobetaine on limestone in high salinity water
Authors: Wang Yang , Ge Jijiang , Zhang Guicai , Jiang Ping , Zhang Wen , Lin Yang
Published: July 2015

Herein is presented a new methodology to determine the static adsorption of dodecyl hydroxypropyl sulfobetaine (DSB) on limestone with the use of HPLC.
Effect of polymer stereoregularity on polystyrene/single-walled carbon nanotube interactions
Authors: London L. A. , Bolton L. A. , Samarakoon D. K. , Sannigrahi B. S. , Wang X. Q. , Khan I. M.
Published: July 2015

We use a combination of computational and experimental studies to elucidate the effect of polymer stereoregularity on the capability of polystyrene interacting with single-walled carbon nanotube (SWNT) surfaces.
Mesoporous Ag/TiO2nanocomposites with greatly enhanced photocatalytic performance towards degradation of methyl orange under visible light
Authors: Zhao Zhengfeng , Wang Yingzi , Xu Jing , Wang Yan
Published: July 2015

Mesoporous Ag/TiO2nanocomposites fabricated by dealloying/calcination show superior photocatalytic performance under visible light as well as UV irradiation.
Configurationally stable, enantioenriched organometallic nucleophiles in stereospecific Pd-catalyzed cross-coupling reactions: an alternative approach to asymmetric synthesis
Authors: Wang Chao-Yuan , Derosa Joseph , Biscoe Mark R.
Published: July 2015

Several research groups have recently developed methods to employ configurationally stable, enantioenriched organometallic nucleophiles in stereospecific Pd-catalyzed cross-coupling reactions.
Elastic ionogels with freeze-aligned pores exhibit enhanced electrochemical performances as anisotropic electrolytes of all-solid-state supercapacitors
Authors: Liu Xinhua , Wang Baofeng , Jin Zilu , Wang Huanlei , Wang Qigang
Published: July 2015

The directional-freezing construction of elastic ionogel electrolytes is described, offering an effective approach to attain aligned structures and enhanced electrochemical properties for energy storage devices.
Scalable fabrication of exceptional 3D carbon networks for supercapacitors
Authors: Song Kuo , Song Wei-Li , Fan Li-Zhen
Published: July 2015

We demonstrate a facile and exclusive approach toward the scalable preparation of novel 3D porous carbon networks using relatively low-cost commercial cottonviaconventional carbonization and activation. The resultant flexible all-solid-state supercapacitor delivers considerably satisfactory energy storage capability and excellent cycling stability.
A highly sensitive fluorescent sensor based on small molecules doped in electrospun nanofibers: detection of explosives as well as color modulation
Authors: Xue Wei , Zhang Yang , Duan Juanjuan , Liu Dong , Ma Yawei , Shi Naien , Chen Shufen , Xie Linghai , Qian Yan , Huang Wei
Published: July 2015

A new type of highly sensitive low-cost sensor towards nitro-compounds based on PEO/MePyCz composite nanofibers is reported. The composite nanomaterials may also be applied in nano-optoelectronics devices, light-emitting diodes or biological sensors.
Intense green-light emission from 9,10-bis (4-(1,2,2-triphenylvinyl)styryl)anthracene emitting electroluminescent devices
Authors: Jin Shunyu , Tian Yan , Liu Fei , Chen Jun , Deng Shaozhi , Xu Ningsheng
Published: July 2015

TPE-An-emitting flexible EL device with high luminescence performance has been successfully fabricated for the first time.
Emerging strategies for the synthesis of monodisperse colloidal semiconductor quantum rods
Authors: Jia Guohua , Xu Shiqing , Wang Aixiang
Published: July 2015

Emerging synthetic strategies produce monodisperse colloidal semiconductor quantum rods with controlled aspect ratios, providing the basis for many inspiring applications.
Chromophoric materials derived from a natural azulene: syntheses, halochromism and one-photon and two-photon microlithography
Authors: Ghazvini Zadeh E. H. , Tang S. , Woodward A. W. , Liu T. , Bondar M. V. , Belfield K. D.
Published: July 2015

Sky blue mushroom is a natural source of azulenes, from which a series of stimuli-responsive chromophores are prepared for application in microlithography.
Tuning the magneto-optical response of TbPc2 single molecule magnets by the choice of the substrate
Authors: Robaschik Peter , Fronk Michael , Toader Marius , Klyatskaya Svetlana , Ganss Fabian , Siles Pablo F. , Schmidt Oliver G. , Albrecht Manfred , Hietschold Michael , Ruben Mario , Zahn Dietrich R. T. , Salvan Georgeta
Published: July 2015

Magneto-optical Kerr rotation of thin films of TbPc2 single molecule magnets can be tuned at room temperature within almost two orders of magnitude by the choice of the substrate.
Correction: Understanding the behaviour of different metals in loaded scintillators: discrepancy between gadolinium and bismuth
Authors: Bertrand Guillaume H. V. , Dumazert Jonathan , Sguerra Fabien , Coulon Romain , Corre Gwenolé , Hamel Matthieu
Published: July 2015

Correction for ‘Understanding the behaviour of different metals in loaded scintillators: discrepancy between gadolinium and bismuth’ by Guillaume H. V. Bertrand et al., J. Mater. Chem. C, 2015, 3, 6006.
Efficient levels of spatial pyramid representation for local binary patterns
Authors: Akoushideh Alireza , Mazloom‐Nezhad Maybodi Babak
Published: July 2015

Local binary patterns (LBPs) are a well‐known operator that shows the ability for rotation and scale invariant texture classification. A recent extension of this operator is the pyramid transform domain approach on LBPs (PLBP). Obtaining more accuracy by using more pyramid representations is an important result of PLBP, which increases not only feature dimensionality, but also classification computational time (CT). This study illustrates that more pyramid image representations will not improve the performance of the PLBP. We evaluate efficient levels of representation for the PLBP descriptor. In addition, the authors propose some feature selection approaches, such as the multi‐level and multi‐resolution (ML + MR) approach and the ML, MR and multi‐band (ML + MR + MB) approach and discuss their efficiency and CT. Experimental results show that the proposed feature selection approaches improve the accuracy of texture classification with fewer pyramid image representations. In addition, replacing the Chi‐2 similarity measurement with Czekannowski improves the accuracy of texture classification.
Nonlinear continuous-time generalized predictive control of solar power plant
Authors: Khoukhi Billal , Tadjine Mohamed , Boucherit Mohamed Seghir
Published: July 2015

This paper presents an application of nonlinear continuous-time generalized predictive control (GPC) to the distributed collector field of a solar power plant. The major characteristic of a solar power plant is that the primary energy source, solar radiation, cannot be manipulated. Solar radiation varies throughout the day, causing changes in plant dynamics and strong perturbations in the process. A brief description of the solar power plant and its simulator is given. After that, basic concepts of predictive control and continuous-time generalized predictive control are introduced. A new control strategy, named nonlinear continuous-time generalized predictive control (NCGPC), is then derived to control the process. The simulation results show that the NCGPC gives a greater flexibility to achieve performance goals and better perturbation rejection than classical control.
Determination of the Value of the Heliocentric Gravitational Constant (GM⊙) from Modern Observations of Planets and Spacecraft
Authors: Pitjeva E. V.
Published: July 2015

The history of estimation of the heliocentric gravitational constant is given. Initially the value of GM⊙ was based on the mean period of motion of the Earth around the Sun, then on estimation of the value of the astronomical unit, and finally the modern value of GM⊙ is determined with the extraordinarily high accuracy, GM⊙ = 132 712 440 042 ± 10 (km3/s2), while fitting ephemerides to high-precision radar observations.
Optical spectroscopy and current detection during warm-up and destruction of impurity–helium condensates
Authors: Krushinskaya I. N. , Boltnev R. E. , Bykhalo I. B. , Pelmenev A. A. , Khmelenko V. V. , Lee D. M.
Published: July 2015

New experimental results on detection of optical spectra and ion currents during destruction of impurity–helium condensates (IHCs) have been obtained. It is shown that emission during IHC sample destruction is accompanied by current pulses, pressure peaks and temperature changes. The molecular bands of excimer molecules XeO* are assigned to molecules stabilized in films of molecular nitrogen covering the heavier cores of impurity clusters which form impurity–helium condensates.
Physical modeling of the formation of clathrate hydrates of methane
Authors: Drobyshev A. , Aldiyarov A. , Kurnosov V. , Katpaeva K. , Korshikov E. , Sokolov D. , Shinbayeva A. , Timchenko A.
Published: July 2015

Nowadays natural gas hydrates attract special attention as a possible source of fossil fuel. According to various estimates, the reserves of hydrocarbons in hydrates exceed considerably explored reserves of natural gas. Due to the clathrate structure the unit volume of the gas hydrate can contain up to 160–180 volumes of pure gas. In recent years interest to a problem of gas hydrates has considerably increased. Such changes are connected with the progress in searches of the alternative sources of hydrocarbonic raw materials in countries that do not possess the resources of energy carriers. Thus gas hydrates are nonconventional sources of the hydrocarbonic raw materials which can be developed in the near future. At the same time, mechanisms of methane clathrate hydrates formations have not reached an advanced level, their thermophysical and mechanical properties have not been investigated profoundly. Thereby our experimental modeling of the processes of formation of methane clathrate hydrates in water cryomatrix prepared by co-condensation from the gas phase onto a cooled substrate was carried out over the range of condensation temperatures 12–60 K and pressures 10−4–10−6 Torr. In our experiments the concentration of methane in water varied in the range of 5%–90%. The thickness deposited films was 30–60 μm. The vibrational spectra of two-component thin films of CH4 + H2O condensates were measured and analyzed.
Heat transfer in Ar and N2 doped solid CO
Authors: Romanova T. V. , Stachowiak P. , Jeżowski A.
Published: July 2015

The measurements of thermal conductivity coefficient of a solid carbon monoxide crystal containing argon and nitrogen admixtures at different concentrations (1.5, 3, 6, 12.5, 25% for N2 and 0.5, 1, 1.25, 2, 4% for Ar) were performed in the temperature range from 1.5 to 40 K by steady-state heat flow method. For analysis of the experimental data the Callaway method in the framework of the Debye model was used. The contribution of various mechanisms of phonon scattering, including scattering by disordered dipoles of the CO matrix, to the thermal conductivity of CO–N2 and CO–Ar solid solutions were taken into account.
Melting of cryocrystals at high pressures. Computer simulation
Authors: Yakub E. S.
Published: July 2015

Simple molecular models were applied to predict melting temperature of highly compressed classical molecular crystals of hydrogen and nitrogen in a wide range of pressures and temperatures using conventional molecular dynamics simulation. It was shown that models which comprise noncentral interaction can reproduce turnover of the melting line observed at megabar pressures. We discuss the relation of this effect to the parameters of chemical bonding.
Molecular dynamics simulation of thermodynamic and transport properties of H-bonded low-temperature substances
Authors: Tychengulova A. , Aldiyarov A. , Drobyshev A.
Published: July 2015

The results of modeling of isotopic water mixture clusters in nitrogen and argon cryomatrices are presented. Earlier, our experimental studies of water mixture in cryomatrix have shown that changes in the concentration of analyte in matrix leads to a splitting of the absorption bands characteristic frequencies of the molecules in the IR spectrum. Moreover the multiplicity of characteristic absorption bands in the IR spectrum remained unchanged during heating of the samples from the condensation temperature to the sublimation temperature of the matrix element. In order to find out what structure of clusters is responsible for the immutability of the absorption bands in the vibrational spectrum during thermal cycling of the samples, computer research of water molecules enclosed in nitrogen and argon cryomatrices by the molecular dynamics simulation was conducted. For this purpose, theoretical studies were carried out using computer software packages, that implement used by us semi empirical and ab initio molecular dynamics methods. As a result of the research, the data must be obtained are of theoretical interest for summarizing the physical and chemical properties of systems, consisting of water molecules, and their combination with inert gases for studying the properties of molecular crystals composed of small molecules.
Mechanisms of self-screening in pure ice
Authors: Chikina I. , Shikin V.
Published: July 2015

Possible approaches to a correct account of the Coulomb interaction in system of proton-hydroxyl pairs in pure ice (a proton version of intrinsic semiconductor) are discussed for a possibility to evaluate correlation properties of semiconducting media.
Shielding characteristics of water
Authors: Levchenko A. A. , Likhter A. M. , Khramov D. A. , Gryaznova V. A. , Shikin V. B.
Published: July 2015

In this article we demonstrate that a relatively small density of intrinsic ions in pure water has a significant impact on the development of the instability of the liquid–vapor boundary in an external electric field perpendicular to the interface. Dielectric breakdown scenario (Shliomis model) is shunted by alternative metal scenario (Frenkel model). Experimentally we observed the formation of a positively charged layer beneath the surface in weak perpendicular electrical fields. In strong electrical fields surface of water loses its stability and charges pass through the interface. Surface discharge process is periodic with a characteristic time of the order of tens seconds.
Influence of thermal treatment on thermal properties of adamantane derivatives
Authors: Szewczyk D. , Jeżowski A. , Krivchikov A. I. , Tamarit J. Ll.
Published: July 2015

Heat transport mechanisms present in 2-adamantanone and 1-cyanoadamantane crystals were investigated in a broad temperature range. To characterize scattering processes, thermal conductivity and heat capacity measurements were carried out. A particular care was paid to the cooling rate of specimen which influenced the thermal history of the samples. The experimental results led to a conclusion that under slow cooling the thermal conductivity reaches the highest values and resembles the behavior of ordered molecular crystals. As for fast cooling, the “quenching” resulted in changes in both the structure and the temperature dependence of the thermal conductivity, the latter resembling that of amorphous solids. In heat capacity measurements the thermal history made on samples did not reflect the preliminary findings known from thermal conductivity results, which could imply that the observed mechanisms are more complex.
Energy spectrum of the quantum vortices configurations
Authors: Nemirovskii Sergey K.
Published: July 2015

The energy spectra of the 3D velocity field, induced by various vortex filaments configurations are reviewed. The especial attention is paid to configurations generating the Kolmogorov type energy spectrum E(k)∝k−5/3. The motivation of this work is related to the problem of modeling classical turbulence with a set of chaotic vortex filaments. The quantity ⟨v(k)v(-k)⟩ can be exactly calculated, provided that we know the probability distribution functional P({s(ξ,t)}) of vortex loops configurations. The knowledge of P({s(ξ,t)}) is identical to the full solution of the problem of quantum turbulence and, in general, P is unknown. One of the simplifications is to investigate various truthful vortex configurations which can be elements of real vortex tangles. These configurations are: the uniform and nonuniform vortex arrays, the straight lines with excited Kelvin waves on it and the reconnecting vortex filaments. We demonstrate that the spectra E(k), generated by the these configurations, are close to the Kolmogorov dependence ∝k−5/3, and discuss the reason for this as well as the reason for deviation.
Low-temperature thermodynamics of Xe-doped fullerite C60
Authors: Klochko M. S. , Strzhemechny M. A.
Published: July 2015

Using a model of the fullerene C60 molecule with carbon atoms uniformly distributed over its surface, the potential energy U(n) of a Xe atom in an octahedral void of C60 is calculated. Within the framework of three-dimensional harmonic oscillator, the lowest energy levels are estimated and the contribution of xenon impurity atoms to the heat capacity of the Xe–C60 system is determined. The contribution of Xe dopants to the total heat capacity is shown to be essential compared to that of pure fullerite. Using the calculated energy spectrum we estimated the contribution of Xe atoms to the thermal expansivity of C60 with 37% of Xe. This contribution is in a qualitative agreement with experimental findings. We estimated the Grüneisen parameter Г due to the anisotropic part of U(n) to show that the negative part of Г is negligible due to the very small width of the five lower oscillatory wave functions.
An Examination of Proton Charge Radius Extractions from e–p Scattering Data
Authors: Arrington John
Published: July 2015

A detailed examination of issues associated with proton radius extractions from elastic electron–proton scattering experiments is presented. Sources of systematic uncertainty and model dependence in the extractions are discussed, with an emphasis on how these may impact the proton charge and magnetic radii. A comparison of recent Mainz data to previous world data is presented, highlighting the difference in treatment of systematic uncertainties as well as tension between different data sets. We find several issues that suggest that larger uncertainties than previously quoted may be appropriate, but do not find any corrections which would resolve the proton radius puzzle.
On square-integrability of solutions of the stationary Schrödinger equation for the quantum harmonic oscillator in two dimensional constant curvature spaces
Authors: Noguera Norman , Rózga Krzysztof
Published: July 2015

In this work, one provides a justification of the condition that is usually imposed on the parameters of the hypergeometric equation, related to the solutions of the stationary Schrödinger equation for the harmonic oscillator in two-dimensional constant curvature spaces, in order to determine the solutions which are square-integrable. One proves that in case of negative curvature, it is a necessary condition of square integrability and in case of positive curvature, a necessary condition of regularity. The proof is based on the analytic continuation formulas for the hypergeometric function. It is observed also that the same is true in case of a slightly more general potential than the one for harmonic oscillator.
Novel schemes for the optimization of the SPARC narrow band THz source
Authors: Marchetti B. , Bacci A. , Chiadroni E. , Cianchi A. , Ferrario M. , Mostacci A. , Pompili R. , Ronsivalle C. , Spataro B. , Zagorodnov I.
Published: July 2015

A pulsed, tunable, narrow band radiation source with frequency in the THz region can be obtained collecting the coherent transition radiation produced by a train of ultra-short electron bunches having picosecond scale inter-distance. In this paper, we review the techniques feasible at the SPARC_LAB test facility to produce and manipulate the requested train of electron bunches and we examine the dynamics of their acceleration and compression. In addition, we show how the performances of the train compression and the radiation intensity and bandwidth can be significantly improved through the insertion of a fourth order harmonic cavity, working in the X-band and acting as a longitudinal phase space linearizer.
Excited-state dynamics of furan studied by sub-20-fs time-resolved photoelectron imaging using 159-nm pulses
Authors: Spesyvtsev R. , Horio T. , Suzuki Y.-I. , Suzuki T.
Published: July 2015

The excited-state dynamics of furan were studied by time-resolved photoelectron imaging using a sub-20-fs deep UV (198 nm) and vacuum UV (159 nm) light source. The 198- and 159-nm pulses produce photoionization signals in both pump-probe and probe-pump pulse sequences. When the 198-nm pulse precedes the 159-nm pulse, it creates the 1A2(3s) Rydberg and 1B2(ππ∗) valence states, and the former decays exponentially with a time constant of about 20 fs whereas the latter exhibits more complex wave-packet dynamics. When the 159-nm pulse precedes the 198-nm pulse, a wave packet is created on the 1A1(ππ∗) valence state, which rapidly disappears from the observation window owing to structural deformation. The 159-nm photoexcitation also creates the 3s and 3px,y Rydberg states non-adiabatically.
Dynamics of globally coupled oscillators: Progress and perspectives
Authors: Pikovsky Arkady , Rosenblum Michael
Published: July 2015

In this paper, we discuss recent progress in research of ensembles of mean field coupled oscillators. Without an ambition to present a comprehensive review, we outline most interesting from our viewpoint results and surprises, as well as interrelations between different approaches.
On the mixing induced by tightly confined spheres in bounded shear flows
Authors: Praharaj Seemit , Leighton David T.
Published: July 2015

The mixing of solute tracers produced by a dilute suspension of spheres undergoing shear flow is examined in the limit that the gap between the sphere and the bounding walls becomes vanishingly small. Such tight confinement produces an envelope of flipping trajectories in the vicinity of the sphere giving rise to swift mixing of an anti-symmetric concentration distribution across the central plane of the gap. The size of this flipping envelope is demonstrated to be only weakly dependent on the angular velocity of the sphere and is accurately approximated by a two parameter model. This model can be used to calculate the additional mass transfer arising due to flipping. The degree of mixing in the system is directly related to the intensity of flipping which is shown to be a function of a single parameter χ given by γ̇a2ϕsD where γ̇ is the shear rate, a is the radius of the sphere, ϕs is the volume fraction of the spheres, and D is the diffusivity. As χ varies from 0 to ∞, the concentration distribution across the gap goes from being linear everywhere to being uniform across the flipping envelope, with the overall flux increasing by a factor of ∼3.
Experimental tests of linear and nonlinear three-dimensional equilibrium models in DIII-D
Authors: King J. D. , Strait E. J. , Lazerson S. A. , Ferraro N. M. , Logan N. C. , Haskey S. R. , Park J.-K. , Hanson J. M. , Lanctot M. J. , Liu Yueqiang , Nazikian R. , Okabayashi M. , Paz-Soldan C. , Shiraki D. , Turnbull A. D.
Published: July 2015

DIII-D experiments using new detailed magnetic diagnostics show that linear, ideal magnetohydrodynamics (MHD) theory quantitatively describes the magnetic structure (as measured externally) of three-dimensional (3D) equilibria resulting from applied fields with toroidal mode number n = 1, while a nonlinear solution to ideal MHD force balance, using the VMEC code, requires the inclusion of n ≥ 1 to achieve similar agreement. These tests are carried out near ITER baseline parameters, providing a validated basis on which to exploit 3D fields for plasma control development. Scans of the applied poloidal spectrum and edge safety factor confirm that low-pressure, n = 1 non-axisymmetric tokamak equilibria are determined by a single, dominant, stable eigenmode. However, at higher beta, near the ideal kink mode stability limit in the absence of a conducting wall, the qualitative features of the 3D structure are observed to vary in a way that is not captured by ideal MHD.
Is a two-dimensional generalization of the Higuchi algorithm really necessary?
Authors: Ahammer Helmut , Sabathiel Nikolaus , Reiss Martin A.
Published: July 2015

Fractal dimensions of data series, particularly time series can be estimated very well by using Higuchi's algorithm. Without phase space constructions, the fractal dimension of a one-dimensional data stream is calculated. Higuchi's method is well accepted and widely applied, because it is very reliable and easy to implement. A generalization of the genuine 1D algorithm to two dimensions would be desirable in order to investigate digital images. In this study, we propose several 2D generalization algorithms and evaluate differences between them. Additionally, a comparison to previously published pseudo 2D generalizations, and to the Fourier and the Blanket method are presented. The algorithms were tested on artificially generated grey value and red-green-blue colour images. It turned out that the proposed 2D generalized Higuchi algorithms are very robust, but differences in between the generalizations as well as differences to the pseudo 2D algorithms are astonishingly small.