bluuebunny/crossref_metadata_2025 huggingface dataset:
Nanoscale arrays of antimony telluride single crystals by selective chemical vapor deposition
Authors: Huang Ruomeng , Benjamin Sophie L. , Gurnani Chitra , Wang Yudong , Hector Andrew L. , Levason William , Reid Gillian , De Groot C. H.
Published: June 2016

Arrays of individual single nanocrystals of Sb2Te3 have been formed using selective chemical vapor deposition (CVD) from a single source precursor. Crystals are self-assembled reproducibly in confined spaces of 100 nm diameter with pitch down to 500 nm. The distribution of crystallite sizes across the arrays is very narrow (standard deviation of 15%) and is affected by both the hole diameter and the array pitch. The preferred growth of the crystals in the <1 1 0> orientation along the diagonal of the square holes strongly indicates that the diffusion of adatoms results in a near thermodynamic equilibrium growth mechanism of the nuclei. A clear relationship between electrical resistivity and selectivity is established across a range of metal selenides and tellurides, showing that conductive materials result in more selective growth and suggesting that electron donation is of critical importance for selective deposition.
Screening of saponins and sapogenins from Medicago species as potential PPARγ agonists and X-ray structure of the complex PPARγ/caulophyllogenin
Authors: Montanari Roberta , Capelli Davide , Tava Aldo , Galli Andrea , Laghezza Antonio , Tortorella Paolo , Loiodice Fulvio , Pochetti Giorgio
Published: June 2016

A series of saponins and sapogenins from Medicago species were tested for their ability to bind and activate the nuclear receptor PPARγ by SPR experiments and transactivation assay, respectively. The SPR analysis proved to be a very powerful and fast technique for screening a large number of compounds for their affinity to PPARγ and selecting the better candidates for further studies. Based on the obtained results, the sapogenin caulophyllogenin was proved to be a partial agonist towards PPARγ and the X-ray structure of its complex with PPARγ was also solved, in order to investigate the binding mode in the ligand binding domain of the nuclear receptor. This is the first known crystal structure of a sapogenin directly interacting with PPARγ. Another compound of the series, the echinocistic acid, showed antagonist activity towards PPARγ, a property that could be useful to inhibit the adipocyte differentiation which is a typical adverse effect of PPARγ agonists. This study confirms the interest on saponins and sapogenins as a valuable natural resource exploitable in the medical and food industry for ameliorating the metabolic syndrome.
The role of macrocyclic compounds in the extraction and possible separation of platinum and rhodium from chloride solutions
Authors: Jyothi Rajesh Kumar , Lee Jin-Young
Published: June 2016

Macrocyclic compounds (crown ethers), specifically 18-crown-6 (18-C-6), benzo-15-crown-5 (B-15-C-5), di-benzo-18-crown-6 (DB-18-C-6) and di-cyclohexano-18-crown-6 (DC-18C-6), are used as extractants as well as synergists with amine-group extractants. Platinum and rhodium belong to platinum-group metals (PGMs) and have very similar ionic radii and similar properties. The separation of PGMs is most useful for the preparation of functional materials. Macrocyclic compounds are tested for platinum and rhodium separation and are found to achieve marginal separation. Amines (used as extractants) are paired with macrocyclic compounds (used as synergists), and the separation factor between platinum and rhodium is increased with synergistic enhancement from a chloride solution. The present study discusses extraction chemistry, separation factors and the synergy between platinum and rhodium from chloride solutions. To ensure accurate data, the aqueous samples in this study are analyzed using an inductively coupled plasma optical emission spectrometer (ICP-OES).
Optical communication beyond orbital angular momentum
Authors: Trichili Abderrahmen , Rosales-Guzmán Carmelo , Dudley Angela , Ndagano Bienvenu , Ben Salem Amine , Zghal Mourad , Forbes Andrew
Published: June 2016

Mode division multiplexing (MDM) is mooted as a technology to address future bandwidth issues and has been successfully demonstrated in free space using spatial modes with orbital angular momentum (OAM). To further increase the data transmission rate, more degrees of freedom are required to form a densely packed mode space. Here we move beyond OAM and demonstrate multiplexing and demultiplexing using both the radial and azimuthal degrees of freedom. We achieve this with a holographic approach that allows over 100 modes to be encoded on a single hologram, across a wide wavelength range, in a wavelength independent manner. Our results offer a new tool that will prove useful in realizing higher bit rates for next generation optical networks.
Correction: Corrigendum: Interaction between V-ATPase B2 and (Pro) renin Receptors in Promoting the progression of Renal Tubulointerstitial Fibrosis
Authors: Liu Yun , Zuo Sujun , Li Xiaoyan , Fan Jinjin , Cao Xueqin , Yu Xueqing , Yang Qiongqiong
Published: June 2016

Scientific Reports 6: Article number: 25035; published online: 28 April 2016; updated: 10 June 2016 The Acknowledgements section in this Article is incomplete. “Thanks very much for the contributions on statistical work by Dr Qian Zhou”. should read: “Thanks very much for the contributions on statistical work by Dr Qian Zhou.
Correction: Corrigendum: Substoichiometric inhibition of transthyretin misfolding by immune-targeting sparsely populated misfolding intermediates: a potential diagnostic and therapeutic for TTR amyloidoses
Authors: Galant Natalie J. , Bugyei-Twum Antoinette , Rakhit Rishi , Walsh Patrick , Sharpe Simon , Arslan Pharhad Eli , Westermark Per , Higaki Jeffrey N. , Torres Ronald , Tapia José , Chakrabartty Avijit
Published: June 2016

Scientific Reports 6: Article number: 25080; published online: 28 April 2016; updated: 10 June 2016 The Acknowledgements section in this Article is incomplete: “This study was supported by a grant from the Canadian Institutes of Health Research to A.C and support from Prothena Inc. PW was supported by FAMY, FAMY Norrbotten and Amyl, and Erik, Karin and Gösta Selander’s Foundation.
Targeting MCL-1/BCL-XL Forestalls the Acquisition of Resistance to ABT-199 in Acute Myeloid Leukemia
Authors: Lin Kevin H. , Winter Peter S. , Xie Abigail , Roth Cullen , Martz Colin A. , Stein Elizabeth M. , Anderson Gray R. , Tingley Jennifer P. , Wood Kris C.
Published: June 2016

ABT-199, a potent and selective small-molecule antagonist of BCL-2, is being clinically vetted as pharmacotherapy for the treatment of acute myeloid leukemia (AML). However, given that prolonged monotherapy tends to beget resistance, we sought to investigate the means by which resistance to ABT-199 might arise in AML and the extent to which those mechanisms might be preempted. Here we used a pathway-activating genetic screen to nominate MCL-1 and BCL-XL as potential nodes of resistance. We then characterized a panel of ABT-199-resistant myeloid leukemia cell lines derived through chronic exposure to ABT-199 and found that acquired drug resistance is indeed driven by the upregulation of MCL-1 and BCL-XL. By targeting MCL-1 and BCL-XL, resistant AML cell lines could be resensitized to ABT-199. Further, preemptively targeting MCL-1 and/or BCL-XL alongside administration of ABT-199 was capable of delaying or forestalling the acquisition of drug resistance. Collectively, these data suggest that in AML, (1) the selection of initial therapy dynamically templates the landscape of acquired resistance via modulation of MCL-1/BCL-XL and (2) appropriate selection of initial therapy may delay or altogether forestall the acquisition of resistance to ABT-199.
Color calibration and fusion of lens-free and mobile-phone microscopy images for high-resolution and accurate color reproduction
Authors: Zhang Yibo , Wu Yichen , Zhang Yun , Ozcan Aydogan
Published: June 2016

Lens-free holographic microscopy can achieve wide-field imaging in a cost-effective and field-portable setup, making it a promising technique for point-of-care and telepathology applications. However, due to relatively narrow-band sources used in holographic microscopy, conventional colorization methods that use images reconstructed at discrete wavelengths, corresponding to e.g., red (R), green (G) and blue (B) channels, are subject to color artifacts. Furthermore, these existing RGB colorization methods do not match the chromatic perception of human vision. Here we present a high-color-fidelity and high-resolution imaging method, termed “digital color fusion microscopy” (DCFM), which fuses a holographic image acquired at a single wavelength with a color-calibrated image taken by a low-magnification lens-based microscope using a wavelet transform-based colorization method. We demonstrate accurate color reproduction of DCFM by imaging stained tissue sections. In particular we show that a lens-free holographic microscope in combination with a cost-effective mobile-phone-based microscope can generate color images of specimens, performing very close to a high numerical-aperture (NA) benchtop microscope that is corrected for color distortions and chromatic aberrations, also matching the chromatic response of human vision. This method can be useful for wide-field imaging needs in telepathology applications and in resource-limited settings, where whole-slide scanning microscopy systems are not available.
A soft, transparent, freely accessible cranial window for chronic imaging and electrophysiology
Authors: Heo Chaejeong , Park Hyejin , Kim Yong-Tae , Baeg Eunha , Kim Yong Ho , Kim Seong-Gi , Suh Minah
Published: June 2016

Chronic in vivo imaging and electrophysiology are important for better understanding of neural functions and circuits. We introduce the new cranial window using soft, penetrable, elastic, and transparent, silicone-based polydimethylsiloxane (PDMS) as a substitute for the skull and dura in both rats and mice. The PDMS can be readily tailored to any size and shape to cover large brain area. Clear and healthy cortical vasculatures were observed up to 15 weeks post-implantation. Real-time hemodynamic responses were successfully monitored during sensory stimulation. Furthermore, the PDMS window allowed for easy insertion of microelectrodes and micropipettes into the cortical tissue for electrophysiological recording and chemical injection at any location without causing any fluid leakage. Longitudinal two-photon microscopic imaging of Cx3Cr1+/− GFP transgenic mice was comparable with imaging via a conventional glass-type cranial window, even immediately following direct intracortical injection. This cranial window will facilitate direct probing and mapping for long-term brain studies.
Upregulation of p27 cyclin-dependent kinase inhibitor and a C-terminus truncated form of p27 contributes to G1 phase arrest
Authors: Satoh Takayuki , Kaida Daisuke
Published: June 2016

Potent anti-cancer compounds FR901464 and its methyl-ketal derivative spliceostatin A (SSA) inhibit cell cycle progression at G1 and G2/M phases. These compounds bind to the spliceosome and inhibit the splicing reaction. However, the molecular mechanism underlying G1 arrest after SSA treatment remains unknown. In this study, we found that ~90% of SSA-treated cells arrested at G1 phase after cell cycle synchronization. SSA treatment caused upregulation of the p27 cyclin-dependent kinase inhibitor both at mRNA and protein levels. In addition to p27, we observed expression of p27*, a C-terminal truncated form of p27 that is translated from CDKN1B (p27) pre-mRNA accumulated after splicing inhibition. Overexpression of p27 or p27* inhibited the exit from G1 phase after a double thymidine block. Conversely, knocking down of p27 by siRNA partially suppressed the G1 phase arrest caused by SSA treatment. There results suggest that G1 arrest in SSA-treated cells is caused, at least in part, by upregulation of p27 and p27*.
mTOR signalling in the nucleus accumbens shell is critical for augmented effect of TFF3 on behavioural response to cocaine
Authors: Luo Yi-Xiao , Han Hua , Shao Juan , Gao Yuan , Yin Xi , Zhu Wei-Li , Han Ying , Shi Hai-Shui
Published: June 2016

Neuropeptides play important roles in modulating the rewarding value of abused drugs. Trefoil factor 3 (TFF3) was recently reported to modulate withdrawal syndrome of morphine, but the effects of TFF3 on the cocaine-induced behavioral changes are still elusive. In the present study, cocaine-induced hyperlocomotion and conditioned place preference (CPP) rat paradigms were provided to investigate the role of TFF3 in the reward response to cocaine. High-performance liquid chromatography (HPLC) analysis was used to analyse the dopamine concentration. The results showed that systemic TFF3 administration (0.1 mg/kg i.p.) significantly augmented cocaine- induced hyperlocomotion and CPP formation, without any effects on locomotor activity and aversive or rewarding effects per se. TFF3 significantly augmented the increment of the dopamine concentration in the NAc and the activity of the mTOR signalling pathway induced by acute cocaine exposure (10 mg/kg, i.p.) in the NAc shell, but not the core. The Intra-NAc shell infusion of rapamycin blocked TFF3-induced hyperactivity in cocaine-treatment rats. These findings indicated that TFF3 could potentiate behavioural response to cocaine, which may be associated with regulating dopamine concentration. Furthermore, the findings indicated that mTOR signalling pathway in the NAc shell is important for TFF3-induced enhancement on the cocaine-induced behavioral changes.
N,N′-Dioxide/nickel(ii)-catalyzed asymmetric Diels–Alder reaction of cyclopentadiene with 2,3-dioxopyrrolidines and 2-alkenoyl pyridines
Authors: Lu Yan , Zhou Yuhang , Lin Lili , Zheng Haifeng , Fu Kai , Liu Xiaohua , Feng Xiaoming
Published: June 2016

A chiral N,N′-dioxide/Ni(OTf)2 complex-catalyzed asymmetric Diels–Alder reaction of cyclopentadiene with 2,3-dioxopyrrolidines and 2-alkenoyl pyridines has been achieved, leading to the corresponding chiral bridged compounds in up to 97% yield, 95 : 5 dr and 97% ee.
A novel SERS nanoprobe for the ratiometric imaging of hydrogen peroxide in living cells
Authors: Peng Ruiying , Si Yanmei , Deng Ting , Zheng Jing , Li Jishan , Yang Ronghua , Tan Weihong
Published: June 2016

Via the assembly of 4-mercaptophenylboronic ester on the gold nanorod's surface, a novel ratiometric SERS nanosensor for H2O2 imaging in living cells or cancer tissues has been developed in the present study.
Expanding biohybrid-mediated asymmetric catalysis into the realm of RNA
Authors: Duchemin Nicolas , Benedetti Erica , Bethge Lucas , Vonhoff Stefan , Klussmann Sven , Vasseur Jean-Jacques , Cossy Janine , Smietana Michael , Arseniyadis Stellios
Published: June 2016

We report here the first example of an RNA-based catalyst involving a catalytically active metal complex interacting in a non-covalent fashion with short RNA sequences.
In situ neutron powder diffraction study of the reaction M2O3 ↔ M3O4 ↔ MO, M = (Fe0.2Mn0.8): implications for chemical looping with oxygen uncoupling
Authors: Norberg S. T. , Azimi G. , Hull S. , Leion H.
Published: June 2016

The structural properties of (Fe0.2Mn0.8)xOy as a function of temperature under differing oxidizing and reducing atmospheres have been investigated using thermal gravimetric analysis and neutron powder diffraction techniques.
Nuclear magnetic resonance studies of DNP-ready trehalose obtained by solid state mechanochemical amorphization
Authors: Filibian M. , Elisei E. , Colombo Serra S. , Rosso A. , Tedoldi F. , Cesàro A. , Carretta P.
Published: June 2016

In amorphous trehalose doped with TEMPO the proportionality between relaxation and polarization rates is consistent with Thermal Mixing and a good contact between the nuclei and the electrons.
Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy
Authors: Wan Liwen F. , Wright Joshua , Perdue Brian R. , Fister Timothy T. , Kim Soojeong , Apblett Christopher A. , Prendergast David
Published: June 2016

X-ray spectroscopic validation of theoretical proposal for sulfur redox mechanism associated with Mg insertion in the Chevrel phase Mo6S8 cathode.
Nano-size scaling of alloy intra-particle vs. inter-particle separation transitions: prediction of distinctly interface-affected critical behaviour
Authors: Polak M. , Rubinovich L.
Published: June 2016

The significant role played by the interface in TC-scaling of phase-separated model nanoalloys is reflected in distinct critical-exponents, and it diminishes for larger particles concomitantly with vanishing shape effects.
Graphene quantum dots to enhance the photocatalytic hydrogen evolution efficiency of anatase TiO2 with exposed {001} facet
Authors: Yu Shan , Zhong Yun-Qian , Yu Bao-Quan , Cai Shi-Yi , Wu Li-Zhu , Zhou Ying
Published: June 2016

Photocatalytic hydrogen evolution efficiency was enhanced through the loading of graphene quantum dots on anatase TiO2 with exposed {001} facets.
How photon pump fluence changes the charge carrier relaxation mechanism in an organic–inorganic hybrid lead triiodide perovskite
Authors: Piatkowski Piotr , Cohen Boiko , Kazim Samrana , Ahmad Shahzada , Douhal Abderrazzak
Published: June 2016

The fluence dependent charge carrier relaxation dynamics in a FAPbI3 polycrystalline thin film were measured using femtosecond transient absorption and terahertz spectroscopies.
Insights into the solar light driven thermocatalytic oxidation of VOCs over tunnel structured manganese oxides
Authors: Zheng Yali , Wang Wenzhong , Jiang Dong , Zhang Ling , Li Xiaoman , Wang Zhong
Published: June 2016

Tunnel structured manganese oxides with high photothermal performance were prepared, and their light driven thermocatalytic activity was carefully investigated.
Low temperature synthesis of hierarchical TiO2 nanostructures for high performance perovskite solar cells by pulsed laser deposition
Authors: Yang Bin , Mahjouri-Samani Masoud , Rouleau Christopher M. , Geohegan David B. , Xiao Kai
Published: June 2016

High aspect-ratio TiO2 nanostructures directly assembled with pulsed laser deposition could improve interfacial contact for superior perovskite photovoltaic cells.
Characterization of dimethylsulfoxide/glycerol mixtures: a binary solvent system for the study of “friction-dependent” chemical reactivity
Authors: Angulo Gonzalo , Brucka Marta , Gerecke Mario , Grampp Günter , Jeannerat Damien , Milkiewicz Jadwiga , Mitrev Yavor , Radzewicz Czesław , Rosspeintner Arnulf , Vauthey Eric , Wnuk Paweł
Published: June 2016

The properties of binary mixtures of dimethylsulfoxide and glycerol, measured using several techniques, are reported.
Reaction mechanism of the dengue virus serine protease: a QM/MM study
Authors: Lima M. C. P. , Seabra G. M.
Published: June 2016

The dengue virus (DENV) is the causative agent of the viral infection dengue fever. It utilizes the NS2B-NS3pro serine protease to cleave the viral polyprotein into its constituents. We present here a QM/MM to study of the first step (acylation) of the reaction catalyzed by NS2B-NS3pro, using PDDG/PM3 for the QM subsystem, and Amber ff99SB for the MM subsystem.
Dissecting the cation–cation interaction between two uranyl units
Authors: Tecmer Paweł , Hong Sung W. , Boguslawski Katharina
Published: June 2016

A theoretical study of the CCIs between two bare uranyl units and their spectroscopic characterization.
Synthesis, antifungal evaluation and optical properties of silver molybdate microcrystals in different solvents: a combined experimental and theoretical study
Authors: Fabbro Maria T. , Foggi Camila C. , Santos Luis P. S. , Gracia Lourdes , Perrin André , Perrin Christiane , Vergani Carlos E. , Machado Ana L. , Andrés Juan , Cordoncillo Eloisa , Longo Elson
Published: June 2016

In this study, we investigate the structure, antifungal activity, and optical properties of β-Ag2MoO4.
Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency
Authors: Balamurugan Mani , Suresh Eringathodi , Palaniandavar Mallayan
Published: June 2016

The stereoelectronic factors of carboxylate bridges in diiron(iii) complexes determine the efficiency of catalytic alkane hydroxylation with m-CPBA.
Gallium(iii) and iron(iii) complexes of quinolone antimicrobials
Authors: Mjos Katja Dralle , Cawthray Jacqueline F. , Polishchuk Elena , Abrams Michael J. , Orvig Chris
Published: June 2016

In an attempt to combine the antimicrobial properties of Ga3+and quinolone antimicrobial agents, tris(quinolono)gallium(iii) complexes were prepared. In the style of the Ga3+vs.Fe3+“Trojan Horse” hypothesis, the bactericidal efficacy of these gallium(iii) complexes was evaluated in direct comparison to their iron(iii) analogs.
Organic and perovskite solar modules innovated by adhesive top electrode and depth-resolved laser patterning
Authors: Spyropoulos George D. , Ramirez Quiroz César Omar , Salvador Michael , Hou Yi , Gasparini Nicola , Schweizer Peter , Adams Jens , Kubis Peter , Li Ning , Spiecker Erdmann , Ameri Tayebeh , Egelhaaf Hans-Joachim , Brabec Christoph J.
Published: June 2016

We demonstrate an innovative solution-processing fabrication route for organic and perovskite solar modules.
Biomass-derived γ-valerolactone as an efficient solvent and catalyst for the transformation of CO2 to formamides
Authors: Song Jinliang , Zhou Baowen , Liu Huizhen , Xie Chao , Meng Qinglei , Zhang Zhanrong , Han Buxing
Published: June 2016

γ-Valerolactone acts as both a solvent and catalyst for N-formylation of various amines with CO2 to formamides in the presence of phenylsilane without any additional catalysts.
Droplet microfluidics with a nanoemulsion continuous phase
Authors: Gu Tonghan , Yeap Eunice W. Q. , Somasundar Ambika , Chen Ran , Hatton T. Alan , Khan Saif A.
Published: June 2016

First demonstration of a nanoemulsion as continuous phase in droplet microfluidics, and application to micro-gel preparation via controlled chemical interaction.
Facile synthesis of MgFe2O4/C composites as anode materials for lithium-ion batteries with excellent cycling and rate performance
Authors: Huo Ningning , Yin Yanhong , Liu Wenfeng , Zhang Jun , Ding Yanmin , Wang Qiuxian , Shi Zhenpu , Yang Shuting
Published: June 2016

A MgFe2O4/C material is synthesized via a facile method and the MgFe2O4/C electrode shows excellent cycling and rate capability.
Understanding multivalent effects in glycosidase inhibition using C-glycoside click clusters as molecular probes
Authors: Stauffert Fabien , Bodlenner Anne , Nguyet Trinh Thi Minh , García-Moreno M. Isabel , Ortiz Mellet Carmen , Nierengarten Jean-François , Compain Philippe
Published: June 2016

Multivalent C-glycosides based on C60 or β-cyclodextrin cores were designed to probe the influence of inhitopes in glycosidase binding events.
Efficient synthesis of fluorescent alkynyl C-nucleosides via Sonogashira coupling for the preparation of DNA-based polyfluorophores
Authors: Kölmel Dominik K. , Barandun Luzi J. , Kool Eric T.
Published: June 2016

A general synthetic route for the facile preparation of nucleosides with varied fluorophores replacing a DNA base is presented.
Novel highly conductive ferroferric oxide/porous carbon nanofiber composites prepared by electrospinning as anode materials for high performance Li-ion batteries
Authors: Zhu S. , Chen M. , Sun J. , Liu J. , Wu T. , Su H. , Qu S. , Xie Y. , Wang S. , Su X. , Diao G.
Published: June 2016

Ferroferric oxide/porous carbon nanofiber composites were synthesized by electrospinning and subsequent innovative thermal treatments, exhibiting enhanced electrochemical performance.
Efficient dye-sensitized solar cells with broad absorption and enhanced photo-current generation
Authors: Kim Jihun , Lee Horim , Kim Dong Young , Seo Yongsok
Published: June 2016

Metal-free organic dyes comprising donor, electron-conducting, and acceptor moieties with anchoring groups were synthesized for the sensitization of hierarchically structured TiO2 (HS-TiO2) nanoaggregates of TiO2 electrode.
Cross-linkable polymers containing a triple bond backbone and their application in photovoltaic devices
Authors: Bui Thi Thu Trang , Park Sangheon , Jahandar Muhammad , Song Chang Eun , Lee Sang Kyu , Lee Jong-Cheol , Moon Sang-Jin , Shin Won Suk
Published: June 2016

Two novel triple bond containing polymers were investigated as potential candidates for new photocrosslinkable materials with solvent resistance and a hydrophobic nature, and can be used in solution processed multilayer organic electronic devices.
Synthesis and properties of polyimide foams containing benzimidazole units
Authors: Li Jianwei , Zhang Guangcheng , Yao Yao , Jing Zhanxin , Zhou Lisheng , Ma Zhonglei
Published: June 2016

A series of novel polyimide foams containing benzimidazole units were prepared from polyester ammonium salt (PEAS) precursor powders, which were synthesized by co-polymerization of BTDA with two diamines, BIA and ODA, in various molar ratios.
Designing rGO/MoS2hybrid nanostructures for photocatalytic applications
Authors: Cravanzola Sara , Cesano Federico , Magnacca Giuliana , Zecchina Adriano , Scarano Domenica
Published: June 2016

Graphene and MoS2, with their structural and morphological compatibility, can be well integrated to make new hybrid materials with enhanced catalytic properties, including the photodegradation of organic pollutants.
Structure determination of organic aging products in lithium-ion battery electrolytes with gas chromatography chemical ionization mass spectrometry (GC-CI-MS)
Authors: Grützke Martin , Weber Waldemar , Winter Martin , Nowak Sascha
Published: June 2016

For Gas Chromatography Chemical Ionization Mass Spectrometry (GC-CI-MS) method development, a standard lithium-ion battery (LIB) electrolyte was thermally aged at 95 °C for a faster generation of decomposition products.
Doxorubicin-loaded redox-responsive amphiphilic dendritic porphyrin conjugates for chemotherapy and photodynamic therapy
Authors: Liu Feng , Zhang Yang , Pan Xiuwei , Xu Lei , Xue Yudong , Zhang Weian
Published: June 2016

The reduction-responsive dendritic copolymer (TPP-S-S-G3) was developed to construct a drug carrier for encapsulation of hydrophobic drug (DOX) for the combination treatment between chemotherapy and PDT.
Bioactive (co)oligoesters with antioxidant properties – synthesis and structural characterization at the molecular level
Authors: Maksymiak Magdalena , Bałakier Tomasz , Jurczak Janusz , Kowalczuk Marek , Adamus Grazyna
Published: June 2016

Anionic ring opening (co)polymerization of novel β-substituted β-lactones to bioactive (co)oligoesters with antioxidant properties.
Retardation of oxidation and material degradation in biodiesel: a review
Authors: Sazzad B. S. , Fazal M. A. , Haseeb A. S. M. A. , Masjuki H. H.
Published: June 2016

In the automobile sector, biodiesel has received considerable attention as a promising diesel substitute because of its enhanced lubricity and reduced emissions.
Unintentionally doped high resistivity GaN layers with an InGaN interlayer grown by MOCVD
Authors: Liu Jianxun , Liang Hongwei , Li Binghui , Liu Yang , Xia Xiaochuan , Huang Huolin , Sandhu Qasim Abbas , Shen Rensheng , Luo Yingmin , Du Guotong
Published: June 2016

A reproducible method to prepare unintentionally doped high-resistivity GaN without undesirable memory effects is demonstrated.
Towards DNA sensing polymers: interaction between acrylamide/3-(N,N-dimethylaminopropyl)-acrylamide and DNA phage λ at various N/P ratios
Authors: Davydova N. K. , Sinitsyna O. V. , Sergeev V. N. , Perevyazko I. , Laukhina E. E.
Published: June 2016

The present study relates to the development of cationic polymers that are of great interest due to their enormous potential for biomedical applications, especially as non-viral vectors for gene therapy, active components in DNA sensing devices, etc.
High‐frequency AlGaN/GaN HFETs with fT/fmax of 149/263 GHz for D‐band PA applications
Authors: Lv Yuanjie , Song Xubo , Guo Hongyu , Fang Yulong , Feng Zhihong
Published: June 2016

Scaled AlGaN/GaN heterostructure field‐effect transistors (HFETs) with high unity current gain cut‐off frequency (fT) and maximum oscillation frequency (fmax) were fabricated and characterised on SiC substrate. In the device, scaled source‐to‐drain distance (Lsd) of 600 nm was realised by employing non‐alloyed regrown n+‐GaN ohmic contacts. A 60 nm T‐shaped AlGaN/GaN HFETs showed excellent DC and RF performance after gate recess. A record extrinsic transconductance (gm) of 764 mS/mm was obtained in the AlGaN/GaN HFETs. Moreover, the maximum fT and fmax of the fabricated device reach to 149 and 263 GHz at the same bias, exhibiting a record‐high value of fT*fmax. This indicates that the AlGaN/GaN HFETs still have the potential for D‐band (110–170 GHz) power‐amplifier application with further optimisation.
Pairwise learning to recommend with both users’ and items’ contextual information
Authors: Huang Zhenhua , E Shijia , Zhang Jiawen , Zhang Bo , Ji Zilian
Published: June 2016

Exponential growth of information generated by social networks requires efficient and scalable recommendation techniques to produce useful results. Traditional methods have become unqualified because they consider only ratings instead of rankings in an item list, and they ignore social contextual information, which is valuable for predicting users’ preference. It is significant and challenging to fuse social contextual information into learning to recommendation methods. In this study, the authors first extend user latent features by exploiting users’ social relationship such as friendship or trust relations, and extend item latent features with concurrent items. Then they integrate both users’ and items’ social contextual information into a pairwise learning to recommendation model (named as UIContextRank) to enhance ranking accuracy and recommendation quality. Furthermore, they extend UIContextRank in a distributed environment to improve efficiency and scalability. The authors conduct experiments on both bidirectional and unidirectional social network datasets. The results show that their method significantly outperforms other approaches.
On the capacity and energy efficiency of non‐coherent Rayleigh fading channels with additive Gaussian mixture noise
Authors: Le Duc‐Anh , Vu Hung Van , Ranjbar Mohammad , Tran Nghi , Karacolak Tutku , Hoang Tiep Minh
Published: June 2016

This paper studies the capacity and energy efficiency of non‐coherent Rayleigh fading channels with Gaussian mixture noise where neither the transmitter nor the receiver has the knowledge of channel state information. The channel under consideration is suited for cellular networks having multi‐tier heterogeneous architectures in which the channel conditions change rapidly. In the first part of the paper, we characterize the structure of a capacity‐achieving input signal. Specifically, we establish an integrable upper bound on the integrand in the output entropy and demonstrate that there exists a unique optimal input. By formulating the Kuhn‐Tucker condition and establishing a diverging lower bound on it, we show that the optimal input is discrete having a finite number of mass points. Using this result, we investigate the capacity and energy efficiency of the considered channel in the second part of the paper. In particular, we first develop a numerical method to evaluate the optimal input and compute the capacity. The energy efficiency, which is related to the capacity and optimal input in low‐power regimes, is examined by calculating the minimum bit energy and wideband slope of the spectral‐efficiency curve. We also analytically show the optimality of an on‐off signal in this regime.
Data‐driven ALS‐SVR‐ARMA2K modelling with AMPSO parameter optimisation for a high consistency refining system in papermaking
Authors: Zhou Ping , Wang Hong , Li Mingjie , Zhao Zicheng , Chai Tianyou
Published: June 2016

In this study, an innovative data‐driven non‐linear dynamical system modelling method, ALS‐SVR‐ARMA2K, is proposed for a high consistency refining (HCR) process in papermaking to online estimate the freeness index. First, to completely capture the non‐linear dynamics of the process, the autoregressive moving average (ARMA) model is constructed by modelling system output as a non‐linear dynamical function of the past system inputs (moving average) and past system output (autoregression). Then, the non‐parametric kernel learning method, least squares support vector regression (LS‐SVR), is presented for learning of the ARMA model. Moreover, to increase the modelling accuracy and make the model has both good interpolation and extrapolation abilities, improvements of multi‐kernel learning and adaptive output regulation are implemented. Finally, to further enhance the modelling accuracy and efficiency of the constructed ALS‐SVR‐ARMA2K model, the adaptive mutation particle swarm optimisation (AMPSO) is proposed to optimise the hybrid model parameters. Industrial experiments and comparative studies have been carried out on an industrial HCR process, where it has been demonstrated that the developed AMPSO‐ALS‐SVR‐ARMA2K model produces a better modelling accuracy, stronger generalisation capability and sparsity, and faster learning speed than the other methods. Moreover, these superiorities are especially true in the case of small samples.
Online optimisation‐based backstepping control design with application to quadrotor
Authors: Lu Hao , Liu Cunjia , Coombes Matthew , Guo Lei , Chen Wen‐Hua
Published: June 2016

In backstepping implementation, the derivatives of virtual control signals are required at each step. This study provides a novel way to solve this problem by combining online optimisation with backstepping design in an outer and inner loop manner. The properties of differential flatness and the B‐spline polynomial function are exploited to transform the optimal control problem into a computationally efficient form. The optimisation process generates not only the optimised states, but also their finite order derivatives which can be used to analytically calculate the derivatives of virtual control signal required in backstepping design. In addition, the online optimisation repeatedly performed in a receding horizon fashion can also realise local motion planning for obstacle avoidance. The stability of the receding horizon control scheme is analysed via Lyapunov method which is guaranteed by adding a parameterised terminal condition in the online optimisation. Numerical simulations and flight experiments of a quadrotor unmanned air vehicle are given to demonstrate the effectiveness of the proposed composite control method.
filtering for non‐linear systems with stochastic sensor saturations and Markov time delays: the asymptotic stability in probability
Authors: Liu Yang , Wang Zidong , He Xiao , Zhou Donghua
Published: June 2016

This study is concerned with the filtering problem for a class of non‐linear systems with stochastic sensor saturations and Markovian measurement transmission delays, where the asymptotic stability in probability is considered. The sensors are subject to random saturations characterised by a Bernoulli distributed sequence. The transmission time delays are governed by a discrete‐time Markov chain with finite states. In the presence of the non‐linearities, stochastic sensor saturations and Markovian time delays, sufficient conditions are established to guarantee that the filtering process is asymptotically stable in probability without disturbances and also satisfies the criterion with respect to non‐zero exogenous disturbances under the zero‐initial condition. Moreover, it is illustrated that the results can be specialised to linear filters. Two simulation examples are presented to show the effectiveness of the proposed algorithms.
Comparative study on the performance of many‐objective and single‐objective optimisation algorithms in tuning load frequency controllers of multi‐area power systems
Authors: Hajiakbari Fini Masoud , Yousefi Gholam Reza , Haes Alhelou Hassan
Published: June 2016

Load frequency control is among the most important control tasks in power systems operation. Many researchers have focused on tuning the load frequency controllers using single‐objective evolutionary algorithms. To avoid the drawbacks of single‐objective optimisation algorithms, in this paper, tuning the load frequency controllers is modelled as a many‐objective (MO) minimization problem. This MO optimisation problem is solved using an MO optimisation algorithm with clustering‐based selection. Considering the maximum value of each objective among the non‐dominated solutions found by the MO optimisation algorithm, the worst solution is determined. To select one of the obtained non‐dominated solutions as the controllers’ parameters, a strategy based on the maximum distance from the worst solution is proposed. In order to measure the effectiveness of the proposed MO technique against several recently proposed single‐objective optimisation algorithms, for tuning load frequency controllers, comparative simulation studies are carried out on two different test systems. Simulation results show that, in terms of different performance indices, the controllers designed by the proposed MO method are far superior to the controllers designed with the single‐objective optimisation algorithms. Also, the presented results confirm the robustness of the controllers designed by the proposed method in case of power system parameters variations.
Factorisation‐splitting WLP‐FDTD method of wave propagation in dispersive materials
Authors: Liu Jiang‐Fan , Wu Ji‐Min , Fang Yun , Xi Xiao‐Li
Published: June 2016

The authors present an efficient finite‐difference time‐domain (FDTD) method with weighted Laguerre polynomials (WLP) to simulate electromagnetic wave propagation in the general dispersive materials in 3D case. As compared with the original auxiliary differential equation WLP‐FDTD method, the proposed method employed a factorisation‐splitting scheme to translate the large sparse matrix equation into two and six tri‐diagonal ones for 2D and 3D cases, respectively, which significantly improves the efficiency of the WLP‐FDTD algorithm. The perfectly matched layer with complex frequency shifted factor is also implemented based on the stretched coordinate. The accuracy and efficiency of the proposed algorithm are validated by numerical examples.
Faulty phase selection for transmission line using integrated moving sum approach
Authors: Biswal Monalisa
Published: June 2016

This study presents a transmission line fault classification algorithm using integrated moving sum (IMSUM) technique. The method is based on current signal only. In this method, the decision of moving sum approach‐based fault detection unit is used in integration with the proposed method to obtain accurate fault class. Rules are set for all ten types of fault. Considering half cycle computed data from the instant of fault inception classification is possible. High‐resistance far‐end fault, close‐in fault, fault at different inception angle and fault considering variable prefault loading conditions can be easily classified using IMSUM technique. Severe current transformer saturation and weak infeed conditions are also discussed. The method can also be applied to a series compensated line. Any variation in fault and system condition will not alter the decision period of IMSUM technique which is an exceptional attribute for a protective function.
Significantly improved breakdown performances of propylene carbonate‐based nano‐fluids
Authors: Hou Yanpan , Zhang Jiande , Zhang Zicheng
Published: June 2016

It is found that propylene carbonate (PC)‐based nano‐fluids (NFs) exhibit substantially larger breakdown voltages and higher breakdown stabilities than that of pure PC when they contain various nano‐particles with different conductivity and permittivity. However, both the fast electron scavenging model and the potential well model fail to explain these experimental phenomena rationally. It is proposed that the interaction region between nano‐particles and PC will create myriad trap sites and capture electric charge carriers effectively. Therefore, the trapped and accumulated homo‐charges can weaken the electric field intensity, increase the charge injection barrier height and reduce further charge injection in the vicinity of electrodes. This is the main physical mechanism for the enhanced dielectric performances of PC‐based NFs.
The relaxation matrix for symmetric tops with inversion symmetry. I. Effects of line coupling on self-broadened ν1 and pure rotational bands of NH3
Authors: Ma Q. , Boulet C.
Published: June 2016

The Robert-Bonamy formalism has been commonly used to calculate half-widths and shifts of spectral lines for decades. This formalism is based on several approximations. Among them, two have not been fully addressed: the isolated line approximation and the neglect of coupling between the translational and internal motions. Recently, we have shown that the isolated line approximation is not necessary in developing semi-classical line shape theories. Based on this progress, we have been able to develop a new formalism that enables not only to reduce uncertainties on calculated half-widths and shifts, but also to model line mixing effects on spectra starting from the knowledge of the intermolecular potential. In our previous studies, the new formalism had been applied to linear and asymmetric-top molecules. In the present study, the method has been extended to symmetric-top molecules with inversion symmetry. As expected, the inversion splitting induces a complete failure of the isolated line approximation. We have calculated the complex relaxation matrices of self-broadened NH3. The half-widths and shifts in the ν1 and the pure rotational bands are reported in the present paper. When compared with measurements, the calculated half-widths match the experimental data very well, since the inapplicable isolated line approximation has been removed. With respect to the shifts, only qualitative results are obtained and discussed. Calculated off-diagonal elements of the relaxation matrix and a comparison with the observed line mixing effects are reported in the companion paper (Paper II).
Non-equilibrium simulations of thermally induced electric fields in water
Authors: Wirnsberger P. , Fijan D. , Šarić A. , Neumann M. , Dellago C. , Frenkel D.
Published: June 2016

Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated that water molecules align in response to an imposed temperature gradient, resulting in an effective electric field. Here, we investigate how thermally induced fields depend on the underlying treatment of long-ranged interactions. For the short-ranged Wolf method and Ewald summation, we find the peak strength of the field to range between 2 × 107 and 5 × 107 V/m for a temperature gradient of 5.2 K/Å. Our value for the Wolf method is therefore an order of magnitude lower than the literature value [J. A. Armstrong and F. Bresme, J. Chem. Phys. 139, 014504 (2013); J. Armstrong et al., J. Chem. Phys. 143, 036101 (2015)]. We show that this discrepancy can be traced back to the use of an incorrect kernel in the calculation of the electrostatic field. More seriously, we find that the Wolf method fails to predict correct molecular orientations, resulting in dipole densities with opposite sign to those computed using Ewald summation. By considering two different multipole expansions, we show that, for inhomogeneous polarisations, the quadrupole contribution can be significant and even outweigh the dipole contribution to the field. Finally, we propose a more accurate way of calculating the electrostatic potential and the field. In particular, we show that averaging the microscopic field analytically to obtain the macroscopic Maxwell field reduces the error bars by up to an order of magnitude. As a consequence, the simulation times required to reach a given statistical accuracy decrease by up to two orders of magnitude.
Discharge dynamics and plasma density recovery by on/off switches of additional gas
Authors: Lee Hyo-Chang , Kwon Deuk-Chul , Oh SeungJu , Kang Hyun-Ju , Kim Yu-Sin , Chung Chin-Wook
Published: June 2016

Measurement of the plasma density is investigated to study plasma dynamics by adding reactive gas (O2) or rare gas (He) in Ar plasmas. When the O2 or He gas is added, plasma density is suddenly decreased, while the plasma density recovers slowly with gas off. It is found that the recovery time is strongly dependent on the gas flow rate, and it can be explained by effect of gas residence time. When the He gas is off in the Ar plasma, the plasma density is overshot compared to the case of the O2 gas pulsing due to enhanced ionizations by metastable atoms. Analysis and calculation for correlation between the plasma density dynamics and the gas pulsing are also presented in detail.
An instrument to measure mechanical up-conversion phenomena in metals in the elastic regime
Authors: Vajente G. , Quintero E. A. , Ni X. , Arai K. , Gustafson E. K. , Robertson N. A. , Sanchez E. J. , Greer J. R. , Adhikari R. X.
Published: June 2016

Crystalline materials, such as metals, are known to exhibit deviation from a simple linear relation between strain and stress when the latter exceeds the yield stress. In addition, it has been shown that metals respond to varying external stress in a discontinuous way in this regime, exhibiting discrete releases of energy. This crackling noise has been extensively studied both experimentally and theoretically when the metals are operating in the plastic regime. In our study, we focus on the behavior of metals in the elastic regime, where the stresses are well below the yield stress. We describe an instrument that aims to characterize non-linear mechanical noise in metals when stressed in the elastic regime. In macroscopic systems, this phenomenon is expected to manifest as a non-stationary noise modulated by external disturbances applied to the material, a form of mechanical up-conversion of noise. The main motivation for this work is for the case of maraging steel components (cantilevers and wires) in the suspension systems of terrestrial gravitational wave detectors. Such instruments are planned to reach very ambitious displacement sensitivities, and therefore mechanical noise in the cantilevers could prove to be a limiting factor for the detectors’ final sensitivities, mainly due to non-linear up-conversion of low frequency residual seismic motion to the frequencies of interest for the gravitational wave observations. We describe here the experimental setup, with a target sensitivity of 10−15 m/Hz in the frequency range of 10–1000 Hz, a simple phenomenological model of the non-linear mechanical noise, and the analysis method that is inspired by this model.