bluuebunny/crossref_metadata_2025 huggingface dataset:
Predominant structural configuration of natural antibody repertoires enables potent antibody responses against protein antigens
Authors: Chen Hong-Sen , Hou Shin-Chen , Jian Jhih-Wei , Goh King-Siang , Shen San-Tai , Lee Yu-Ching , You Jhong-Jhe , Peng Hung-Pin , Kuo Wen-Chih , Chen Shui-Tsung , Peng Ming-Chi , Wang Andrew H.-J. , Yu Chung-Ming , Chen Ing-Chien , Tung Chao-Ping , Chen Tzu-Han , Ping Chiu Kuo , Ma Che , Yuan Wu Chih , Lin Sheng-Wei , Yang An-Suei
Published: July 2015

Humoral immunity against diverse pathogens is rapidly elicited from natural antibody repertoires of limited complexity. But the organizing principles underlying the antibody repertoires that facilitate this immunity are not well-understood. We used HER2 as a model immunogen and reverse-engineered murine antibody response through constructing an artificial antibody library encoded with rudimentary sequence and structural characteristics learned from high throughput sequencing of antibody variable domains. Antibodies selected in vitro from the phage-displayed synthetic antibody library bound to the model immunogen with high affinity and specificities, which reproduced the specificities of natural antibody responses. We conclude that natural antibody structural repertoires are shaped to allow functional antibodies to be encoded efficiently, within the complexity limit of an individual antibody repertoire, to bind to diverse protein antigens with high specificity and affinity. Phage-displayed synthetic antibody libraries, in conjunction with high-throughput sequencing, can thus be designed to replicate natural antibody responses and to generate novel antibodies against diverse antigens.
Lead-free epitaxial ferroelectric material integration on semiconducting (100) Nb-doped SrTiO3 for low-power non-volatile memory and efficient ultraviolet ray detection
Authors: Kundu Souvik , Clavel Michael , Biswas Pranab , Chen Bo , Song Hyun-Cheol , Kumar Prashant , Halder Nripendra N. , Hudait Mantu K. , Banerji Pallab , Sanghadasa Mohan , Priya Shashank
Published: July 2015

We report lead-free ferroelectric based resistive switching non-volatile memory (NVM) devices with epitaxial (1-x)BaTiO3-xBiFeO3 (x = 0.725) (BT-BFO) film integrated on semiconducting (100) Nb (0.7%) doped SrTiO3 (Nb:STO) substrates. The piezoelectric force microscopy (PFM) measurement at room temperature demonstrated ferroelectricity in the BT-BFO thin film. PFM results also reveal the repeatable polarization inversion by poling, manifesting its potential for read-write operation in NVM devices. The electroforming-free and ferroelectric polarization coupled electrical behaviour demonstrated excellent resistive switching with high retention time, cyclic endurance and low set/reset voltages. X-ray photoelectron spectroscopy was utilized to determine the band alignment at the BT-BFO and Nb:STO heterojunction and it exhibited staggered band alignment. This heterojunction is found to behave as an efficient ultraviolet photo-detector with low rise and fall time. The architecture also demonstrates half-wave rectification under low and high input signal frequencies, where the output distortion is minimal. The results provide avenue for an electrical switch that can regulate the pixels in low or high frequency images. Combined this work paves the pathway towards designing future generation low-power ferroelectric based microelectronic devices by merging both electrical and photovoltaic properties of BT-BFO materials.
Third type of domain wall in soft magnetic nanostrips
Authors: Nguyen V. D. , Fruchart O. , Pizzini S. , Vogel J. , Toussaint J.-C. , Rougemaille N.
Published: July 2015

Magnetic domain walls (DWs) in nanostructures are low-dimensional objects that separate regions with uniform magnetisation. Since they can have different shapes and widths, DWs are an exciting playground for fundamental research and became in the past years the subject of intense works, mainly focused on controlling, manipulating and moving their internal magnetic configuration. In nanostrips with in-plane magnetisation, two DWs have been identified: in thin and narrow strips, transverse walls are energetically favored, while in thicker and wider strips vortex walls have lower energy. The associated phase diagram is now well established and often used to predict the low-energy magnetic configuration in a given magnetic nanostructure. However, besides the transverse and vortex walls, we find numerically that another type of wall exists in permalloy nanostrips. This third type of DW is characterised by a three-dimensional, flux closure micromagnetic structure with an unusual length and three internal degrees of freedom. Magnetic imaging on lithographically-patterned permalloy nanostrips confirms these predictions and shows that these DWs can be moved with an external magnetic field of about 1 mT. An extended phase diagram describing the regions of stability of all known types of DWs in permalloy nanostrips is provided.
Direct observation of a Fermi liquid-like normal state in an iron-pnictide superconductor
Authors: Tytarenko Alona , Huang Yingkai , de Visser Anne , Johnston Steve , van Heumen Erik
Published: July 2015

There are two prerequisites for understanding high-temperature (high-Tc) superconductivity: identifying the pairing interaction and obtaining a correct description of the normal state from which superconductivity emerges. The nature of the normal state of iron-pnictide superconductors and the role played by correlations arising from partially screened interactions, are still under debate. Here we show that the normal state of carefully annealed electron-doped BaFe2−xCoxAs2 at low temperatures has all the hallmark properties of a local Fermi liquid, with a more incoherent state emerging at elevated temperatures, an identification made possible using bulk-sensitive optical spectroscopy with high frequency and temperature resolution. The frequency dependent scattering rate extracted from the optical conductivity deviates from the expected scaling M2 (ω, T) ∝ ("Equation missing")2 + (pπkBT)2 with p ≈ 1.47 rather than p = 2, indicative of the presence of residual elastic resonant scattering. Excellent agreement between the experimental results and theoretical modeling allows us to extract the characteristic Fermi liquid scale T0≈ 1700 K. Our results show that the electron-doped iron-pnictides should be regarded as weakly correlated Fermi liquids with a weak mass enhancement resulting from residual electron-electron scattering from thermally excited quasi-particles.
Graphene Plasmonic Metasurfaces to Steer Infrared Light
Authors: Li Zubin , Yao Kan , Xia Fengnian , Shen Sheng , Tian Jianguo , Liu Yongmin
Published: July 2015

Metasurfaces utilizing engineered metallic nanostructures have recently emerged as an important means to manipulate the propagation of light waves in a prescribed manner. However, conventional metallic metasurfaces mainly efficiently work in the visible and near-infrared regime and lack sufficient tunability. In this work, combining the pronounced plasmonic resonance of patterned graphene structures with a subwavelength-thick optical cavity, we propose and demonstrate novel graphene metasurfaces that manifest the potential to dynamically control the phase and amplitude of infrared light with very high efficiency. It is shown that the phase of the infrared light reflected from a simple graphene ribbon metasurface can span over almost the entire 2π range by changing the width of the graphene ribbons, while the amplitude of the reflection can be maintained at high values without significant variations. We successfully realize anomalous reflection, reflective focusing lenses and non-diffracting Airy beams based on graphene metasurfaces. Our results open up a new paradigm of highly integrated photonic platforms for dynamic beam shaping and adaptive optics in the crucial infrared wavelength range.
Carbon hybridized halloysite nanotubes for high-performance hydrogen storage capacities
Authors: Jin Jiao , Fu Liangjie , Yang Huaming , Ouyang Jing
Published: July 2015

Hybrid nanotubes of carbon and halloysite nanotubes (HNTs) with different carbon:HNTs ratio were hydrothermally synthesized from natural halloysite and sucrose. The samples display uniformly cylindrical hollow tubular structure with different morphologies. These hybrid nanotubes were concluded to be promising medium for physisorption-based hydrogen storage. The hydrogen adsorption capacity of pristine HNTs was 0.35% at 2.65 MPa and 298 K, while that of carbon coated HNTs with the pre-set carbon:HNTs ratio of 3:1 (3C-HNTs) was 0.48% under the same condition. This carbon coated method could offer a new pattern for increasing the hydrogen adsorption capacity. It was also possible to enhance the hydrogen adsorption capacity through the spillover mechanism by incorporating palladium (Pd) in the samples of HNTs (Pd-HNTs) and 3C-HNTs (Pd-3C-HNTs and 3C-Pd-HNTs are the samples with different location of Pd nanoparticles). The hydrogen adsorption capacity of the Pd-HNTs was 0.50% at 2.65 MPa and 298 K, while those of Pd-3C-HNTs and 3C-Pd-HNTs were 0.58% and 0.63%, respectively. In particular, for this spillover mechanism of Pd-carbon-HNTs ternary system, the bidirectional transmission of atomic and molecular hydrogen (3C-Pd-HNTs) was concluded to be more effective than the unidirectional transmission (Pd-3C-HNTs) in this work for the first time.
Blockade of Wnt/β-catenin signaling suppresses breast cancer metastasis by inhibiting CSC-like phenotype
Authors: Jang Gyu-Beom , Kim Ji-Young , Cho Sung-Dae , Park Ki-Soo , Jung Ji-Youn , Lee Hwa-Yong , Hong In-Sun , Nam Jeong-Seok
Published: July 2015

The identification of cancer stem cells (CSCs) represents an important milestone in the understanding of chemodrug resistance and cancer recurrence. More specifically, some studies have suggested that potential metastasis-initiating cells (MICs) might be present within small CSC populations. The targeting and eradication of these cells represents a potential strategy for significantly improving clinical outcomes. A number of studies have suggested that dysregulation of Wnt/β-catenin signaling occurs in human breast cancer. Consistent with these findings, our previous data have shown that the relative level of Wnt/β-catenin signaling activity in breast cancer stem cells (BCSCs) is significantly higher than that in bulk cancer cells. These results suggest that BCSCs could be sensitive to therapeutic approaches targeting Wnt/β-catenin signaling pathway. In this context, abnormal Wnt/β-catenin signaling activity may be an important clinical feature of breast cancer and a predictor of poor survival. We therefore hypothesized that Wnt/β-catenin signaling might regulate self-renewal and CSC migration, thereby enabling metastasis and systemic tumor dissemination in breast cancer. Here, we investigated the effects of inhibiting Wnt/β-catenin signaling on cancer cell migratory potential by examining the expression of CSC-related genes and we examined how this pathway links metastatic potential with tumor formationin vitroandin vivo.
Ultra Wideband Polarization-Selective Conversions of Electromagnetic Waves by Metasurface under Large-Range Incident Angles
Authors: Yin Jia Yuan , Wan Xiang , Zhang Qian , Cui Tie Jun
Published: July 2015

We propose an ultra-wideband polarization-conversion metasurface with polarization selective and incident-angle insensitive characteristics using anchor-shaped units through multiple resonances. The broadband characteristic is optimized by the genetic optimization algorithm, from which the anchor-shaped unit cell generates five resonances, resulting in expansion of the operating frequency range. Owing to the structural feature of the proposed metasurface, only x- and y-polarized incident waves can reach high-efficiency polarization conversions, realizing the polarization-selective property. The proposed metasurface is also insensitive to the angle of incident waves, which indicates a promising future in modern communication systems. We fabricate and measure the proposed metasurface and both the simulated and measured results show ultra-wide bandwidth for the x- and y-polarized incident waves.
C1-Benzyl and benzoyl isoquinoline synthesis through direct oxidative cross-dehydrogenative coupling with methyl arenes
Authors: Wan Miao , Lou Hongxiang , Liu Lei
Published: July 2015

An oxidative cross-dehydrogenative coupling of isoquinolines with methyl arenes has been developed, yielding structurally diverse C1-benzyl and -benzoyl isoquinolines selectively. The direct use of readily available methyl arenes as coupling partners avoids unproductive steps for preactivating functional group installation, and is thereby attractive.
Thianthrene-functionalized polynorbornenes as high-voltage materials for organic cathode-based dual-ion batteries
Authors: Speer Martin E. , Kolek Martin , Jassoy Jean Jacques , Heine Jennifer , Winter Martin , Bieker Peter M. , Esser Birgit
Published: July 2015

Thianthrene polynorbornenes are investigated as high-voltage organic cathode materials for dual-ion cells with a charge/discharge potential of 4.1 V vs. Li/Li+.
Resonance-assisted stabilisation of hydrogen bonds probed by NMR spectroscopy and path integral molecular dynamics
Authors: Dračínský M. , Čechová L. , Hodgkinson P. , Procházková E. , Janeba Z.
Published: July 2015

Nuclear quantum effects are shown to be important for resonance stabilisation of intramolecular hydrogen bonds.
Chemical generation and modification of peptides containing multiple dehydroalanines
Authors: Morrison Philip M. , Foley Patrick J. , Warriner Stuart L. , Webb Michael E.
Published: July 2015

Development of an effective strategy to convert multiple cysteines into dehydroalanine residues within a single peptide using methyl dibromovalerate.
The molecular and electronic structures of a thioaroyl cation formed by borinium ion-mediated CS double bond cleavage of CS2
Authors: Shoji Yoshiaki , Tanaka Naoki , Hashizume Daisuke , Fukushima Takanori
Published: July 2015

The structural perspective of thioaroyl cations is updated through crystallographic and electron density distribution analyses of [MesCS]+.
Dendrimer-encapsulated Pt nanoparticles with peroxidase-mimetic activity as biocatalytic labels for sensitive colorimetric analyses
Authors: Ju Youngwon , Kim Joohoon
Published: July 2015

We report on the feasibility of utilizing dendrimer-encapsulated Pt nanoparticles as peroxidase-mimetic labels for simple but sensitive colorimetric analyses.
Mesoxalate as Cu(ii)–Ln(iii) linker in the construction of MOFs in DMSO/water medium
Authors: Gil-Hernández B. , Gili P. , Quirós M. , Sanchiz J.
Published: July 2015

The combination of [Cu3(Hmesox)3]3− with La(iii), Ce(iii), Pr(iii), Nd(iii) and Eu(iii) in DMSO/H2O yields 3d–4f heterometallic metal–organic frameworks, with the dimensionality of the network being controlled by the coordination number of the Ln(iii) ion.
Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid
Authors: Martín-Caballero Jagoba , Wéry Ana San José , Artetxe Beñat , Reinoso Santiago , Felices Leire San , Vilas José Luis , Gutiérrez-Zorrilla Juan M.
Published: July 2015

The porous hybrid metavanadate [{Cu(cyclam)}(VO3)2]·5H2O undergoes a series of sequential and reversible transformations upon thermally-triggered gradual dehydration that have been monitored by single-crystal X-ray diffraction.
CH3NH3PbI3−xClx films with coverage approaching 100% and with highly oriented crystal domains for reproducible and efficient planar heterojunction perovskite solar cells
Authors: Huang Like , Hu Ziyang , Yue Guoqiang , Liu Jinwang , Cui Xiaohong , Zhang Jing , Zhu Yuejin
Published: July 2015

Approaching 100% coverage CH3NH3PbI3−xClx perovskite films with highly oriented crystal domains and anisotropic electron transport resulted in efficient device.
Mass spectrometry for the assessment of the occurrence and biological consequences of DNA adducts
Authors: Liu Shuo , Wang Yinsheng
Published: July 2015

In this article, we review the applications of mass spectrometry for examining the occurrence and biological consequences of DNA adducts.
Supramolecular polymer adhesives: advanced materials inspired by nature
Authors: Heinzmann Christian , Weder Christoph , de Espinosa Lucas Montero
Published: July 2015

This review highlights bio-inspired design approaches that utilize supramolecular polymers to create adhesives with advanced functionality.
Effects of subnanometer silver clusters on the AgBr(110) photocatalyst surface: a theoretical investigation
Authors: Chi Yuhua , Zhao Lianming , Lu Xiaoqing , An Changhua , Guo Wenyue , Liu Yunqi , Wu Chi-Man Lawrence
Published: July 2015

The geometrical and electronic structures and photocatalytic performance of subnanometer Agn clusters (n = 2–6) deposited on AgBr(110) are studied under the framework of density functional theory (DFT) plus Hubbard U contributions.
Recyclable (PhSe)2-catalyzed selective oxidation of isatin by H2O2: a practical and waste-free access to isatoic anhydride under mild and neutral conditions
Authors: Yu Lei , Ye Jianqing , Zhang Xu , Ding Yuanhua , Xu Qing
Published: July 2015

A practical and waste-free synthesis of isatoic anhydride was reported. The feature of this methodology is the simple isolation procedure by filtration, which facilitates the direct recovery and reuse of both organoselenium catalysts and solvents.
Biomimetic peptide-based models of [FeFe]-hydrogenases: utilization of phosphine-containing peptides
Authors: Roy Souvik , Nguyen Thuy-Ai D. , Gan Lu , Jones Anne K.
Published: July 2015

Peptide based models for [FeFe]-hydrogenase were synthesized utilizing unnatural phosphine-amino acids and their electrocatalytic properties were investigated in mixed aqueous-organic solvents.
What causes the weakest host to act as the strongest one? A theoretical study on the host–guest chemistry of five azacryptands and fluoride anions
Authors: Salehzadeh Sadegh , Gholiee Yasin
Published: July 2015

Among five studied hosts, the one having the lowest attractive interaction with a fluoride anion shows the highest selectivity in solution due to reduced solvent hindrance.
Diboron complexes with bis-spiro structures as high-performance blue emitters for OLEDs
Authors: Zhang Zhenyu , Zhang Zuolun , Ye Kaiqi , Zhang Jingying , Zhang Hongyu , Wang Yue
Published: July 2015

By using blue-emissive diboron complexes with bis-spiro structures as emitting layers, the most efficient blue OLEDs based on four-coordinate organoboron compounds have been achieved.
Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N3,C2ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies
Authors: He Fan , Ruhlmann Laurent , Gisselbrecht Jean-Paul , Choua Sylvie , Orio Maylis , Wesolek Marcel , Danopoulos Andreas A. , Braunstein Pierre
Published: July 2015

In doubly C,N-bridged dinuclear complexes with 1-arylimidazolide ligands, the Ir head-to-head isomer can be thermally converted to the head-to-tail isomer.
Labile ruthenium(ii) complexes with extended phenyl-substituted terpyridyl ligands: synthesis, aquation and anticancer evaluation
Authors: Huang Huaiyi , Zhang Pingyu , Chen Yu , Ji Liangnian , Chao Hui
Published: July 2015

The present study demonstrated that the anticancer activities of labile Ru(ii) complexes can be efficiently tuned by chelating with different phenyl-substituted terpyridyl ligands.
Electrochemical wastewater treatment with carbon nanotube filters coupled with in situ generated H2O2
Authors: Liu Yanbiao , Xie Jianping , Ong Choon Nam , Vecitis Chad D. , Zhou Zhi
Published: July 2015

An effective and novel wastewater treatment system was developed by combining oxidation & adsorption at the CNT anode and additional oxidation within situgenerated H2O2at the CNT cathode.
Mathematical modeling of microbial extracellular electron transfer by electrically active microorganisms
Authors: Liu Yiwen , Peng Lai , Gao Shu-Hong , Dai Xiaohu , Ni Bing-Jie
Published: July 2015

A new mathematical model was proposed to describe the extracellular electron transfer process by electrically active microorganisms.
Expanding the scope of biogenic substrates for the selective production of formic acid from water-insoluble and wet waste biomass
Authors: Albert Jakob , Wasserscheid Peter
Published: July 2015

The selective oxidation of complex, water-insoluble and wet biomass from second and third generation to formic acid including effective catalyst recycling is reported. Additionally, the relevance and limits of potential contaminants are illustrated by different experimental approaches.
Inclusion of new 5-fluorouracil amphiphilic derivatives in liposome formulation for cancer treatment
Authors: Petaccia M. , Condello M. , Giansanti L. , La Bella A. , Leonelli F. , Meschini S. , Gradella Villalva D. , Pellegrini E. , Ceccacci F. , Galantini L. , Mancini G.
Published: July 2015

Liposomes containing novel 5-fluorouracil derivatives differing in the length of their polyoxyethylenic spacer were shown active against colorectal tumor cells.
Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen
Authors: Mahendiran Dharmasivam , Gurumoorthy Perumal , Gunasekaran Krishnasamy , Senthil Kumar Raju , Rahiman Aziz Kalilur
Published: July 2015

A new series of heteroleptic copper(ii) complexes with terpyridines and naproxen are reported. The results of biological activity are laying a foundation for the design of new anticancer agents.
Fabrication of TiO2/porous carbon nanofibers with superior visible photocatalytic activity
Authors: Li Xin , Lin Huiming , Chen Xiang , Niu Hao , Zhang Ting , Liu Jiuyu , Qu Fengyu
Published: July 2015

TiO2/PCNFs heterostructures were successfully fabricated by combining an electrospinning technique with a hydrothermal method, exhibiting enhanced visible photocatalytic activity.
Efficient mineralization of benzoic and phthalic acids in water by catalytic ozonation using a nickel oxide catalyst
Authors: Magallanes Diana , Rodríguez Julia L. , Poznyak Tatiana , Valenzuela Miguel A. , Lartundo Luis , Chairez Isaac
Published: July 2015

NiO increased the mineralization degree in benzoic and phthalic acid ozonation.
Spectral, theoretical characterization and antifungal properties of two phenol derivative Schiff bases with an intramolecular hydrogen bond
Authors: Carreño Alexander , Gacitúa Manuel , Páez-Hernández Dayán , Polanco Rubén , Preite Marcelo , Fuentes Juan A. , Mora Guido C. , Chávez Ivonne , Arratia-Pérez Ramiro
Published: July 2015

Only one of the two isomers show biological activity but theory and spectroscopic techniques are not able to distinguish between both isomers.
Highly flexible silica aerogels derived from methyltriethoxysilane and polydimethylsiloxane
Authors: Zhong Liang , Chen Xiaohong , Song Huaihe , Guo Kang , Hu Zijun
Published: July 2015

The rapid synthesis of low-density, highly hydrophobic silica aerogels was performedviaambient pressure drying.
Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance
Authors: Qu Xiaoni , Zhang Sheng , Yang Qi , Su Zhiyong , Wei Qing , Xie Gang , Chen Sanping
Published: July 2015

Two energetic compounds were reported to illustrate the substituent effect of nitrogen-rich heterocycles on the energy performance of energetic materials.
Evolution of the magnetic structure with chemical composition in spinel iron oxide nanoparticles
Authors: Muscas G. , Yaacoub N. , Concas G. , Sayed F. , Sayed Hassan R. , Greneche J. M. , Cannas C. , Musinu A. , Foglietti V. , Casciardi S. , Sangregorio C. , Peddis D.
Published: July 2015

Magnetic properties of iron oxide nanoparticles with spinel structure are strictly related to a complex interplay between cationic distribution and the presence of a non-collinear spin structure (spin canting ).
Integrating biologically inspired nanomaterials and table-top stereolithography for 3D printed biomimetic osteochondral scaffolds
Authors: Castro Nathan J. , O'Brien Joseph , Zhang Lijie Grace
Published: July 2015

A novel table-top stereolithography 3D printer and nano-ink were used to fabricate a highly interconnected osteochondral scaffold closely mimicking a 3D native extracellular osteochondral environment. The current work illustrates the utility of this approach for efficient fabrication of a novel nanocomposite hydrogel scaffold for osteochondral regeneration.
Hypercrosslinked materials: preparation, characterisation and applications
Authors: Fontanals N. , Marcé R. M. , Borrull F. , Cormack P. A. G.
Published: July 2015

Hypercrosslinked materials have experienced a great expansion in both the synthetic approach and the field of applications.
Correction: Polymer–protein conjugation via a ‘grafting to’ approach – a comparative study of the performance of protein-reactive RAFT chain transfer agents
Authors: Vanparijs N. , Maji S. , Louage B. , Voorhaar L. , Laplace D. , Zhang Q. , Shi Y. , Hennink W. E. , Hoogenboom R. , De Geest B. G.
Published: July 2015

Correction for ‘Polymer–protein conjugation via a ‘grafting to’ approach – a comparative study of the performance of protein-reactive RAFT chain transfer agents’ by N. Vanparijs et al., Polym. Chem., 2015, DOI: 10.1039/c4py01224k.
Facile approach to prepare a quasi-one-dimensional anisotropic wetting surface on copper substrate and its wetting properties
Authors: Tang Yiping , Xu Xin , Hou Guangya , Huazhen Cao , Guoqu Zheng
Published: July 2015

In this paper, a facile method was reported to prepare a novel quasi-one-dimensional (Q-1-D) anisotropic wetting surface on copper substrate.
N-type SnO2nanosheets standing on p-type carbon nanofibers: a novel hierarchical nanostructures based hydrogen sensor
Authors: Wang Zhaojie , Liu Siyuan , Jiang Tingting , Xu Xiuru , Zhang Jun , An Changhua , Wang Ce
Published: July 2015

The synergistic relationship of n-type SnO2nanosheets and p-type CNFs offers an exciting pathway to enhanced sensors.
Rapid adsorption removal of arsenate by hydrous cerium oxide–graphene composite
Authors: Yu Ling , Ma Ying , Ong Choon Nam , Xie Jianping , Liu Yanbiao
Published: July 2015

A promising hydrous cerium oxide modified graphene (GNP-HCO) adsorbent with rapid adsorption kinetics and excellent adsorbing capacity towards arsenic removal.
Green synthesis of PdCu supported on graphene/polyoxometalate LBL films for high-performance formic acid oxidation
Authors: Ma Ai , Zhang Xiaofeng , Wang Xiaoying , Le Lijuan , Lin Shen
Published: July 2015

PdCu alloy nanaoparticles (with sizes of ca. 4.5 nm) have been synthesized by a one-step electrochemical process on composite films constructed from functionalized graphene (GN) and H3PMo12O40 (PMo12) by LBL assembly.
Modification of Eu3+–beta-diketonate complex-intercalated LAPONITE® with a terpyridine-functionalized ionic liquid
Authors: Yao Yalan , Li Zhiqiang , Li Huanrong
Published: July 2015

A lanthanide complex-based hybrid material with good thermal- and photo-stability has been obtained by modifying Eu3+–beta-diketonate complex-intercalated LAPONITE® with a terpyridine moiety-functionalized ionic liquid.
A starch based sustainable tough hyperbranched epoxy thermoset
Authors: Duarah Rituparna , Karak Niranjan
Published: July 2015

A starch based sustainable high performing tough hyperbranched epoxy thermoset with exceptionally high tensile adhesive strength, and biodegradability was demonstrated.
CO methanation over a macro–mesoporous Al2O3 supported Ni catalyst in a fluidized bed reactor
Authors: Li Jun , Zhou Li , Zhu Qingshan , Li Hongzhong
Published: July 2015

MNC showed much higher activity and thermal stability, which are attributed to the macro–mesoporous structure that enhanced the removal of reaction heat.
Thermoresponsive hydrophobic copolymer brushes modified porous monolithic silica for high-resolution bioseparation
Authors: Nagase Kenichi , Kobayashi Jun , Kikuchi Akihiko , Akiyama Yoshikatsu , Kanazawa Hideko , Okano Teruo
Published: July 2015

Thermoresponsive-hydrophobic copolymer brushes were prepared on porous monolithic silica rods through surface initiated ATRP. The monolithic silica can separate biomolecules with high resolution and in short analysis times.
Ionic Sal-SG Schiff bases as new synergetic chemotherapeutic candidates: synthesis, metalation with Pd(ii) and in vitro pharmacological evaluation
Authors: Elshaarawy Reda F. M. , Mostafa Tahia B. , Refaee Ayaat A. , El-Sawi Emtithal A.
Published: July 2015

A series of novelN-(salicylidene)-sulfaguanidines (Sal-SG) bearing ionic liquid (IL) terminals (ILSSGH,4a–f) have been synthesized by Schiff base condensation of IL-functionalized salicylaldehydes (ILSal,3a–g) and sulfaguanidine (SG).
Interaction of 4-oxoalkane-1,1,2,2-tetracarbonitriles with Lawesson's reagent – a new approach to the synthesis of 2,2′-disulfanediylbis(1H-pyrroles). The synthesis of photochromic diarylethene with a disulfide bridge
Authors: Belikov Mikhail Yu. , Fedoseev Sergey V. , Ievlev Mikhail Yu. , Ershov Oleg V. , Tafeenko Victor A.
Published: July 2015

Transformation of 4-oxoalkane-1,1,2,2-tetracarbonitriles under the action of Lawesson's reagent leads to 2,2′-disulfanediylbis(1H-pyrrole-3-carbonitriles) in good yields.
Molecular dynamics simulation of the material removal process and gap phenomenon of nano EDM in deionized water
Authors: Yue Xiaoming , Yang Xiaodong
Published: July 2015

This simulation shows the melting, vaporizing, removing and solidifying processes of a material as well as the bubble forming process during nano EDM.
Preparation of a protein–chitin nanofiber complex from crab shells and its application as a reinforcement filler or substrate for biomineralization
Authors: Ifuku Shinsuke , Urakami Takeshi , Izawa Hironori , Morimoto Minoru , Saimoto Hiroyuki
Published: July 2015

A protein–chitin nanofiber complex was successfully prepared from crab shells by a mechanical treatment after the removal of CaCO3.
Atomic-scale identification of Pd leaching in nanoparticle catalyzed C–C coupling: effects of particle surface disorder
Authors: Briggs Beverly D. , Bedford Nicholas M. , Seifert Soenke , Koerner Hilmar , Ramezani-Dakhel Hadi , Heinz Hendrik , Naik Rajesh R. , Frenkel Anatoly I. , Knecht Marc R.
Published: July 2015

Atomically-resolved X-ray-based methods demonstrate that Pd atoms are leached via oxidative addition during nanoparticle-catalyzed Stille coupling under ambient reaction conditions.
Ultrathin mesoporous NiO nanosheet-anchored 3D nickel foam as an advanced electrode for supercapacitors
Authors: Cheng Guanhua , Yang Wanfeng , Dong Chaoqun , Kou Tianyi , Bai Qingguo , Wang Hao , Zhang Zhonghua
Published: July 2015

Ultrathin mesoporous NiO nanosheets on a 3D network of nickel foam have been synthesized by an in situ growth strategy in combination with nanoscale design with advanced electrochemical performances.
The influence of polymer architecture on in vitro pDNA transfection
Authors: Rinkenauer Alexandra C. , Schubert Stephanie , Traeger Anja , Schubert Ulrich S.
Published: July 2015

In the field of polymer-based gene delivery, the tuning potential of polymers by using different architectures like graft- and star-shaped polymers as well as self-assembled block copolymers is immense. In the last years numerous new polymer designs showed enhanced transfections properties in combination with a good biocompatibility.
Photoluminescence of poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) in the visible region
Authors: Koyama Takeshi , Matsuno Taiki , Yokoyama Yasunori , Kishida Hideo
Published: July 2015

The chemically doped polythiophene, poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate), shows a broad PL band ranging from 1.2 to 3.0 eV over the full range of the visible region.
Gambogic acid inhibits osteoclast formation and ovariectomy-induced osteoporosis by suppressing the JNK, p38 and Akt signalling pathways
Authors: Ma Jianjun , Ma Yan , Liu Xuqiang , Chen Shuai , Liu Chao , Qin An , Fan Shunwu
Published: July 2015

Excessive osteoclast formation and bone resorption are key causes of osteoporosis. Natural compounds can serve as alternative therapeutic agents for the prevention and treatment of osteoporosis, and some natural compounds may have advantages over traditional drugs. In the present paper, we report that the natural compound GBA (gambogic acid), which is bioavailable, effective and less toxic, inhibits osteoclast formation, thereby attenuating osteoclastic bone resorption in vitro. Further in vivo studies demonstrated that GBA prevented ovariectomy-induced bone loss in a dose-dependent manner. Moreover, we demonstrated that GBA suppressed RANKL (receptor activator of nuclear factor κB ligand)-induced JNK (c-Jun N-terminal kinase), p38 and Akt phosphorylation. Taken together, our results demonstrate that GBA inhibits osteoclast formation in vitro and in vivo, suggesting that it is of potential value in the treatment of osteoclast-related diseases.
Role for RalA downstream of Rac1 in skeletal muscle insulin signalling
Authors: Takenaka Nobuyuki , Sumi Yukio , Matsuda Keiko , Fujita Junko , Hosooka Tetsuya , Noguchi Tetsuya , Aiba Atsu , Satoh Takaya
Published: July 2015

Insulin-stimulated glucose uptake in skeletal muscle is mediated by the translocation of the glucose transporter GLUT4 from intracellular storage sites to the plasma membrane. The small GTPase Rac1 has been implicated in this insulin signalling, but the mechanism whereby Rac1 stimulates GLUT4 translocation remains obscure. In the present study, we examined the role of the small GTPase RalA downstream of Rac1 in skeletal muscle fibres isolated from genetically modified mice. A dominant-negative mutant of RalA, when ectopically overexpressed, significantly reduced GLUT4 translocation in response to insulin or either one of constitutively activated mutants of Rac1 and its upstream regulators, including the guanine-nucleotide-exchange factor FLJ00068, the protein kinase Akt2 and phosphoinositide 3-kinase. Constitutively activated Rac1 also failed to induce GLUT4 translocation in mouse skeletal muscle fibres in which the expression of RalA was abrogated by specific siRNA molecules. Furthermore, we applied a novel approach to detect the activated form of RalA in situ by immunofluorescence microscopy of mouse skeletal muscle fibres, demonstrating that constitutively activated mutants of Rac1 and its upstream regulators as well as insulin indeed cause the activation of RalA. Notably, this RalA activation was remarkably impaired in rac1-deficient skeletal muscle fibres. Taken together, these results provide evidence that RalA is indeed activated and involved in the regulation of GLUT4 translocation in response to insulin downstream of Rac1 in mouse skeletal muscle.
Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation
Authors: Kloos Marco , Brüser Antje , Kirchberger Jürgen , Schöneberg Torsten , Sträter Norbert
Published: July 2015

Phosphofructokinase-1 (Pfk) acts as the main control point of flux through glycolysis. It is involved in complex allosteric regulation and Pfk mutations have been linked to cancer development. Whereas the 3D structure and structural basis of allosteric regulation of prokaryotic Pfk has been studied in great detail, our knowledge about the molecular basis of the allosteric behaviour of the more complex mammalian Pfk is still very limited. To characterize the structural basis of allosteric regulation, the subunit interfaces and the functional consequences of modifications in Tarui's disease and cancer, we analysed the physiological homotetramer of human platelet Pfk at up to 2.67 Å resolution in two crystal forms. The crystallized enzyme is permanently activated by a deletion of the 22 C-terminal residues. Complex structures with ADP and fructose-6-phosphate (F6P) and with ATP suggest a role of three aspartates in the deprotonation of the OH-nucleophile of F6P and in the co-ordination of the catalytic magnesium ion. Changes at the dimer interface, including an asymmetry observed in both crystal forms, are the primary mechanism of allosteric regulation of Pfk by influencing the F6P-binding site. Whereas the nature of this conformational switch appears to be largely conserved in bacterial, yeast and mammalian Pfk, initiation of these changes differs significantly in eukaryotic Pfk.
Fully direct write dispenser printed sound emitting smart fabrics
Authors: Li Y. , Torah R. , Yang K. , Wei Y. , Tudor J.
Published: July 2015

Direct write dispenser printed sound‐emitting smart fabrics are reported for creative applications and wearable electronics. Using dispenser printing, sound emission can be easily added to various fabric substrates, from industrial coated architectural fabrics to everyday woven polyester cotton fabrics. Two different types of sound emission have been realised on fabrics: a piezoelectric buzzer and an electromagnetic planar spiral speaker with an external magnet. These two planar sound emitting devices are flexible and simpler than conventional three‐dimensional electromagnetic and electrostatic sound emitting devices. Furthermore, the spiral‐based planar electromagnetic speakers allow interactive applications by changing the distance between the magnet and the speaker. The theory and the manufacturing technology of the direct write printed fabric buzzer and speaker are reported.
Bilateral frame rate upconversion algorithm based on image texture complexity compensation
Authors: Lee Kangjun , Jeong Jechang
Published: July 2015

A new bilateral frame rate upconversion algorithm using the image texture complexity characteristic is proposed. In the proposed algorithm, as the cost function is adjusted according to the image texture complexity, the accuracy of motion estimation (ME) is improved. In the experimental results, the proposed algorithm outperforms the conventional bilateral ME process by 0.32 dB.
Prediction of magnetic field emissions by current source reconstruction using radial basis function network
Authors: Diao Yinliang , Sun Weinong , Leung Sai Wing , Chan Kwok Hung , Siu Yun Ming
Published: July 2015

Near‐field measurement has been adopted in the prediction of emission levels for electromagnetic compatibility diagnosis and design purposes. A novel approach for effective reconstruction of the equivalent current source based on the near‐field measurement data is presented, for the prediction of magnetic field emissions elsewhere. The approach consists of two steps: first, the distribution of the magnetic field component normal to the entire measurement plane is acquired by interpolation of the discrete measurement data using a radial basis function network; secondly, the magnetic emissions elsewhere are evaluated from the equivalent current source derived from the acquired magnetic field distribution. This approach requires the measurement of only one single magnetic field component. The accuracy of the proposed approach has been demonstrated by comparing the predicted field to that of the full‐wave simulation; the robustness of the approach against measurement noise has also been verified.
Study of translational and rotational dynamics of birefringent colloidal particles by depolarized light scattering in the far- and near-field regimes
Authors: Escobedo-Sánchez Manuel A. , De la Cruz-Burelo Hugo A. , Arauz-Lara José L. , Haro-Pérez Catalina , Rojas-Ochoa Luis F.
Published: July 2015

We characterize the translational and rotational dynamics of birefringent spherical colloidal particles by depolarized light scattering in the far- and near-field regimes. For this purpose, we use depolarized dynamic light scattering and propose an extension of dynamic heterodyne near-field light scattering that takes into account the polarization state of the light. Such a combination of methods allows to access colloidal dynamics in an extended q-range and permits to evaluate different modes of particles motion in suspension. Furthermore, we obtain a good agreement between results from the far- and near-field approaches thus validating our proposal and opening the possibility to investigate simultaneously the subtle interplay between translational and rotational motions of anisotropic colloidal particles in length-scales from the order of the particle size to several interparticle distances.
A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations
Authors: Fang Dong , Duke Robert E. , Cisneros G. Andrés
Published: July 2015

A new method to account for long range electrostatic contributions is proposed and implemented for quantum mechanics/molecular mechanics long range electrostatic correction (QM/MM-LREC) calculations. This method involves the use of the minimum image convention under periodic boundary conditions and a new smoothing function for energies and forces at the cutoff boundary for the Coulomb interactions. Compared to conventional QM/MM calculations without long-range electrostatic corrections, the new method effectively includes effects on the MM environment in the primary image from its replicas in the neighborhood. QM/MM-LREC offers three useful features including the avoidance of calculations in reciprocal space (k-space), with the concomitant avoidance of having to reproduce (analytically or approximately) the QM charge density in k-space, and the straightforward availability of analytical Hessians. The new method is tested and compared with results from smooth particle mesh Ewald (PME) for three systems including a box of neat water, a double proton transfer reaction, and the geometry optimization of the critical point structures for the rate limiting step of the DNA dealkylase AlkB. As with other smoothing or shifting functions, relatively large cutoffs are necessary to achieve comparable accuracy with PME. For the double-proton transfer reaction, the use of a 22 Å cutoff shows a close reaction energy profile and geometries of stationary structures with QM/MM-LREC compared to conventional QM/MM with no truncation. Geometry optimization of stationary structures for the hydrogen abstraction step by AlkB shows some differences between QM/MM-LREC and the conventional QM/MM. These differences underscore the necessity of the inclusion of the long-range electrostatic contribution.
Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions
Authors: Brown James , Carrington Tucker
Published: July 2015

Although phase-space localized Gaussians are themselves poor basis functions, they can be used to effectively contract a discrete variable representation basis [A. Shimshovitz and D. J. Tannor, Phys. Rev. Lett. 109, 070402 (2012)]. This works despite the fact that elements of the Hamiltonian and overlap matrices labelled by discarded Gaussians are not small. By formulating the matrix problem as a regular (i.e., not a generalized) matrix eigenvalue problem, we show that it is possible to use an iterative eigensolver to compute vibrational energy levels in the Gaussian basis.
Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water
Authors: Soniat Marielle , Kumar Revati , Rick Steven W.
Published: July 2015

The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface.
Research Update: Stoichiometry controlled oxide thin film growth by pulsed laser deposition
Authors: Groenen Rik , Smit Jasper , Orsel Kasper , Vailionis Arturas , Bastiaens Bert , Huijben Mark , Boller Klaus , Rijnders Guus , Koster Gertjan
Published: July 2015

The oxidation of species in the plasma plume during pulsed laser deposition controls both the stoichiometry as well as the growth kinetics of the deposited SrTiO3 thin films, instead of the commonly assumed mass distribution in the plasma plume and the kinetic energy of the arriving species. It was observed by X-ray diffraction that SrTiO3 stoichiometry depends on the composition of the background gas during deposition, where in a relative small pressure range between 10−2 mbars and 10−1 mbars oxygen partial pressure, the resulting film becomes fully stoichiometric. Furthermore, upon increasing the oxygen (partial) pressure, the growth mode changes from 3D island growth to a 2D layer-by-layer growth mode as observed by reflection high energy electron diffraction.
Spin-torsion effects in the hyperfine structure of methanol
Authors: Coudert L. H. , Gutlé C. , Huet T. R. , Grabow J.-U. , Levshakov S. A.
Published: July 2015

The magnetic hyperfine structure of the non-rigid methanol molecule is investigated experimentally and theoretically. 12 hyperfine patterns are recorded using molecular beam microwave spectrometers. These patterns, along with previously recorded ones, are analyzed in an attempt to evidence the effects of the magnetic spin-torsion coupling due to the large amplitude internal rotation of the methyl group [J. E. M. Heuvel and A. Dymanus, J. Mol. Spectrosc. 47, 363 (1973)]. The theoretical approach setup to analyze the observed data accounts for this spin-torsion in addition to the familiar magnetic spin-rotation and spin-spin interactions. The theoretical approach relies on symmetry considerations to build a hyperfine coupling Hamiltonian and spin-rotation-torsion wavefunctions compatible with the Pauli exclusion principle. Although all experimental hyperfine patterns are not fully resolved, the line position analysis yields values for several parameters including one describing the spin-torsion coupling.
Theoretical study on the hydrophobic and hydrophilic hydration on large solutes: The case of phthalocyanines in water
Authors: Martín Elisa I. , Martínez José M. , Sánchez Marcos Enrique
Published: July 2015

A theoretical study on the hydration phenomena of three representative Phthalocyanines (Pcs): the metal-free, H2Pc, and the metal-containing, Cu-phthalocyanine, CuPc, and its soluble sulphonated derivative, [CuPc(SO3)4]4−, is presented. Structural and dynamic properties of molecular dynamics trajectories of these Pcs in solution were evaluated. The hydration shells of the Pcs were defined by means of spheroids adapted to the solute shape. Structural analysis of the axial region compared to the peripheral region indicates that there are no significant changes among the different macrocycles, but that of [CuPc(SO3)4]4−, where the polyoxoanion presence induces a typically hydrophilic hydration structure. The analyzed water dynamic properties cover mean residence times, translational and orientational diffusion coefficients, and hydrogen bond network. These properties allow a thorough discussion about the simultaneous existence of hydrophobic and hydrophilic hydration in these macrocycles, and indicate the trend of water structure to well define shells in the environment of hydrophobic solutes. The comparison between the structural and dynamical analysis of the hydration of the amphipathic [CuPc(SO3)4]4− and the non-soluble Cu–Pc shows a very weak coupling among the hydrophilic and hydrophobic fragments of the macrocycle. Quantitative results are employed to revisit the iceberg model proposed by Frank and Evans, leading to conclude that structure and dynamics support a non-strict interpretation of the iceberg view, although the qualitative trends pointed out by the model are supported.