bluuebunny/crossref_metadata_2025 huggingface dataset:
Fine-tuning of macrophage activation using synthetic rocaglate derivatives
Authors: Bhattacharya Bidisha , Chatterjee Sujoy , Devine William G. , Kobzik Lester , Beeler Aaron B. , Porco John A. , Kramnik Igor
Published: April 2016

Drug-resistant bacteria represent a significant global threat. Given the dearth of new antibiotics, host-directed therapies (HDTs) are especially desirable. As IFN-gamma (IFNγ) plays a central role in host resistance to intracellular bacteria, including Mycobacterium tuberculosis, we searched for small molecules to augment the IFNγ response in macrophages. Using an interferon-inducible nuclear protein Ipr1 as a biomarker of macrophage activation, we performed a high-throughput screen and identified molecules that synergized with low concentration of IFNγ. Several active compounds belonged to the flavagline (rocaglate) family. In primary macrophages a subset of rocaglates 1) synergized with low concentrations of IFNγ in stimulating expression of a subset of IFN-inducible genes, including a key regulator of the IFNγ network, Irf1; 2) suppressed the expression of inducible nitric oxide synthase and type I IFN and 3) induced autophagy. These compounds may represent a basis for macrophage-directed therapies that fine-tune macrophage effector functions to combat intracellular pathogens and reduce inflammatory tissue damage. These therapies would be especially relevant to fighting drug-resistant pathogens, where improving host immunity may prove to be the ultimate resource.
Expression of Active Fluorophore Proteins in the Milk of Transgenic Pigs Bypassing the Secretory Pathway
Authors: Mukherjee Ayan , Garrels Wiebke , Talluri Thirumala R. , Tiedemann Daniela , Bősze Zsuzsanna , Ivics Zoltán , Kues Wilfried A.
Published: April 2016

We describe the expression of recombinant fluorescent proteins in the milk of two lines of transgenic pigs generated by Sleeping Beauty transposon-mediated genetic engineering. The Sleeping Beauty transposon consisted of an ubiquitously active CAGGS promoter driving a fluorophore cDNA, encoding either Venus or mCherry. Importantly, the fluorophore cDNAs did not encode for a signal peptide for the secretory pathway, and in previous studies of the transgenic animals a cytoplasmic localization of the fluorophore proteins was found. Unexpectedly, milk samples from lactating sows contained high levels of bioactive Venus or mCherry fluorophores. A detailed analysis suggested that exfoliated cells of the mammary epithelium carried the recombinant proteins passively into the milk. This is the first description of reporter fluorophore expression in the milk of livestock, and the findings may contribute to the development of an alternative concept for the production of bioactive recombinant proteins in the udder.
Pressure Induced Enhancement of Superconductivity in LaRu2P2
Authors: Li Baoxuan , Lu Pengchao , Liu Jianzhong , Sun Jian , Li Sheng , Zhu Xiyu , Wen Hai-Hu
Published: April 2016

To explore new superconductors beyond the copper-based and iron-based systems is very important. The Ru element locates just below the Fe in the periodic table and behaves like the Fe in many ways. One of the common thread to induce high temperature superconductivity is to introduce moderate correlation into the system. In this paper, we report the significant enhancement of superconducting transition temperature from 3.8 K to 5.8 K by using a pressure only of 1.74 ± 0.05 GPa in LaRu2P2 which has an iso-structure of the iron-based 122 superconductors. The ab-initio calculation shows that the superconductivity in LaRu2P2 at ambient pressure can be explained by the McMillan’s theory with strong electron-phonon coupling. However, it is difficult to interpret the enhancement of Tc versus pressure within this picture. Detailed analysis of the pressure induced evolution of resistivity and upper critical field Hc2(T) reveals that the increase of Tc with pressure may be accompanied by the involvement of extra electron-boson interaction. This suggests that the Ru-based system has some commonality as the Fe-based superconductors.
Oil-free hyaluronic acid matrix for serial femtosecond crystallography
Authors: Sugahara Michihiro , Song Changyong , Suzuki Mamoru , Masuda Tetsuya , Inoue Shigeyuki , Nakane Takanori , Yumoto Fumiaki , Nango Eriko , Tanaka Rie , Tono Kensuke , Joti Yasumasa , Kameshima Takashi , Hatsui Takaki , Yabashi Makina , Nureki Osamu , Numata Keiji , Iwata So
Published: April 2016

The grease matrix was originally introduced as a microcrystal-carrier for serial femtosecond crystallography and has been expanded to applications for various types of proteins, including membrane proteins. However, the grease-based matrix has limited application for oil-sensitive proteins. Here we introduce a grease-free, water-based hyaluronic acid matrix. Applications for proteinase K and lysozyme proteins were able to produce electron density maps at 2.3-Å resolution.
Nanoscale characterization of local structures and defects in photonic crystals using synchrotron-based transmission soft X-ray microscopy
Authors: Nho Hyun Woo , Kalegowda Yogesh , Shin Hyun-Joon , Yoon Tae Hyun
Published: April 2016

For the structural characterization of the polystyrene (PS)-based photonic crystals (PCs), fast and direct imaging capabilities of full field transmission X-ray microscopy (TXM) were demonstrated at soft X-ray energy. PS-based PCs were prepared on an O2-plasma treated Si3N4 window and their local structures and defects were investigated using this label-free TXM technique with an image acquisition speed of ~10 sec/frame and marginal radiation damage. Micro-domains of face-centered cubic (FCC (111)) and hexagonal close-packed (HCP (0001)) structures were dominantly found in PS-based PCs, while point and line defects, FCC (100), and 12-fold symmetry structures were also identified as minor components. Additionally, in situ observation capability for hydrated samples and 3D tomographic reconstruction of TXM images were also demonstrated. This soft X-ray full field TXM technique with faster image acquisition speed, in situ observation, and 3D tomography capability can be complementally used with the other X-ray microscopic techniques (i.e., scanning transmission X-ray microscopy, STXM) as well as conventional characterization methods (e.g., electron microscopic and optical/fluorescence microscopic techniques) for clearer structure identification of self-assembled PCs and better understanding of the relationship between their structures and resultant optical properties.
A simple and general strategy for generating frequency-anticorrelated photon pairs
Authors: Zhang Xin , Xu Chang , Ren Zhongzhou
Published: April 2016

Currently, two-photon excitation microscopy is the method of choice for imaging living cells within thick specimen. A remaining problem for this technique is the damage caused by the high photon flux in the excitation region. To reduce the required flux, a promising solution is to use highly frequency-anticorrelated photon pairs, which are known to induce two-photon transitions much more efficiently. It is still an open question what the best scheme is for generating such photon pairs. Here we propose one simple general strategy for this task. As an example, we show explicitly that this general strategy can be realized faithfully within the widely applicable coherently pumped Jaynes-Cummings model. It is shown quantitatively that this strategy can generate highly frequency-anticorrelated photon pairs which can dramatically enhance two-photon excitation efficiency. We believe the proposed strategy can guide new designs for generating frequency-anticorrelated photon pairs.
Divergence of RNA polymerase α subunits in angiosperm plastid genomes is mediated by genomic rearrangement
Authors: Blazier J. Chris , Ruhlman Tracey A. , Weng Mao-Lun , Rehman Sumaiyah K. , Sabir Jamal S. M. , Jansen Robert K.
Published: April 2016

Genes for the plastid-encoded RNA polymerase (PEP) persist in the plastid genomes of all photosynthetic angiosperms. However, three unrelated lineages (Annonaceae, Passifloraceae and Geraniaceae) have been identified with unusually divergent open reading frames (ORFs) in the conserved region of rpoA, the gene encoding the PEP α subunit. We used sequence-based approaches to evaluate whether these genes retain function. Both gene sequences and complete plastid genome sequences were assembled and analyzed from each of the three angiosperm families. Multiple lines of evidence indicated that the rpoA sequences are likely functional despite retaining as low as 30% nucleotide sequence identity with rpoA genes from outgroups in the same angiosperm order. The ratio of non-synonymous to synonymous substitutions indicated that these genes are under purifying selection and bioinformatic prediction of conserved domains indicated that functional domains are preserved. One of the lineages (Pelargonium, Geraniaceae) contains species with multiple rpoA-like ORFs that show evidence of ongoing inter-paralog gene conversion. The plastid genomes containing these divergent rpoA genes have experienced extensive structural rearrangement, including large expansions of the inverted repeat. We propose that illegitimate recombination, not positive selection, has driven the divergence of rpoA.
Genome-wide transcriptomic analysis reveals correlation between higher WRKY61 expression and reduced symptom severity in Turnip crinkle virus infected Arabidopsis thaliana
Authors: Gao Ruimin , Liu Peng , Yong Yuhan , Wong Sek-Man
Published: April 2016

Turnip crinkle virus (TCV) is a carmovirus that infects many Arabidopsis ecotypes. Most studies mainly focused on discovery of resistance genes against TCV infection and there is no Next Generation Sequencing based comparative genome wide transcriptome analysis reported. In this study, RNA-seq based transcriptome analysis revealed that 238 (155 up-regulated and 83 down-regulated) significant differentially expressed genes with at least 15-fold change were determined. Fifteen genes (including upregulated, unchanged and downregulated) were selected for RNA-seq data validation using quantitative real-time PCR, which showed consistencies between these two sets of data. GO enrichment analysis showed that numerous terms such as stress, immunity, defence and chemical stimulus were affected in TCV-infected plants. One putative plant defence related gene named WRKY61 was selected for further investigation. It showed that WRKY61 overexpression plants displayed reduced symptoms and less virus accumulation, as compared to wild type (WT) and WRKY61 deficient lines, suggesting that higher WRKY61 expression level reduced TCV viral accumulation. In conclusion, our transcriptome analysis showed that global gene expression was detected in TCV-infected Arabidopsis thaliana. WRKY61 gene was shown to be negatively correlated with TCV infection and viral symptoms, which may be connected to plant immunity pathways.
Microscopic observation of dye molecules for solar cells on a titania surface
Authors: Koshiya Shogo , Yamashita Shunsuke , Kimoto Koji
Published: April 2016

The lateral distribution and coverage of Ru-based dye molecules, which are used for dye-sensitized solar cells (DSCs), were directly examined on a titania surface using high-resolution scanning transmission electron microscopy (STEM). The clean surface of a free-standing titania nanosheet was first confirmed with atomic resolution and then, the nanosheet was used as a substrate. A single dye molecule on the titania nanosheet was visualized for the first time. The quantitative STEM images revealed an inhomogeneous dye-molecule distribution at the early stage of its absorption, i.e., the aggregation of the dye molecules. The majority of the titania surface was not covered by dye molecules, suggesting that optimization of the dye molecule distribution could yield further improvement of the DSC conversion efficiencies.
A miniature solar device for overall water splitting consisting of series-connected spherical silicon solar cells
Authors: Kageshima Yosuke , Shinagawa Tatsuya , Kuwata Takaaki , Nakata Josuke , Minegishi Tsutomu , Takanabe Kazuhiro , Domen Kazunari
Published: April 2016

A novel “photovoltaics (PV) + electrolyzer” concept is presented using a simple, small and completely stand-alone non-biased device for solar-driven overall water splitting. Three or four spherical-shaped p-n junction silicon balls were successfully connected in series, named “SPHELAR.” SPHELAR possessed small projected areas of 0.20 (3PVs) and 0.26 cm2 (4PVs) and exhibited working voltages sufficient for water electrolysis. Impacts of the configuration on the PV module performance were carefully analyzed, revealing that a drastic increase in the photocurrent (≈20%) was attained by the effective utilization of a reflective sheet. Separate investigations on the electrocatalyst performance showed that non-noble metal based materials with reasonably small sizes (<0.80 cm2) exhibited substantial currents at the PV working voltage. By combining the observations of the PV characteristics, light management and electrocatalyst performance, solar-driven overall water splitting was readily achieved, reaching solar-to-hydrogen efficiencies of 7.4% (3PVs) and 6.4% (4PVs).
Knee loading inhibits osteoclast lineage in a mouse model of osteoarthritis
Authors: Li Xinle , Yang Jing , Liu Daquan , Li Jie , Niu Kaijun , Feng Shiqing , Yokota Hiroki , Zhang Ping
Published: April 2016

Osteoarthritis (OA) is a whole joint disorder that involves cartilage degradation and periarticular bone response. Changes of cartilage and subchondral bone are associated with development and activity of osteoclasts from subchondral bone. Knee loading promotes bone formation, but its effects on OA have not been well investigated. Here, we hypothesized that knee loading regulates subchondral bone remodeling by suppressing osteoclast development and prevents degradation of cartilage through crosstalk of bone-cartilage in osteoarthritic mice. Surgery-induced mouse model of OA was used. Two weeks application of daily dynamic knee loading significantly reduced OARSI scores and CC/TAC (calcified cartilage to total articular cartilage), but increased SBP (subchondral bone plate) and B.Ar/T.Ar (trabecular bone area to total tissue area). Bone resorption of osteoclasts from subchondral bone and the differentiation of osteoclasts from bone marrow-derived cells were completely suppressed by knee loading. The osteoclast activity was positively correlated with OARSI scores and negatively correlated with SBP and B.Ar/T.Ar. Furthermore, knee loading exerted protective effects by suppressing osteoclastogenesis through Wnt signaling. Overall, osteoclast lineage is the hyper responsiveness of knee loading in osteoarthritic mice. Mechanical stimulation prevents OA-induced cartilage degeneration through crosstalk with subchondral bone. Knee loading might be a new potential therapy for osteoarthritis patients.
Establishment and characterization of HROC69 – a Crohn´s related colonic carcinoma cell line and its matched patient-derived xenograft
Authors: Kuehn Florian , Mullins Christina S. , Krohn Mathias , Harnack Christine , Ramer Robert , Krämer Oliver H. , Klar Ernst , Huehns Maja , Linnebacher Michael
Published: April 2016

Colitis-associated colorectal cancer (CAC) seems to be a rather unique entity and differs in its genetic alterations, tumour formation capacities and clinical features from sporadic colorectal carcinoma. Most descriptions about tumour biology of CAC refer to ulcerative colitis; data about Crohn´s colitis related carcinomas are scarce. The majority of patients with Crohn´s disease are under immunosuppression which generates a different environment for tumour growth. We first describe the clinical case of a fast growing CAC in a long-term immunosuppressed patient with Crohn´s disease and successful establishment and characterization of carcinoma cell lines along with their corresponding patient-derived xenograft. Subsequently, these tumor models were molecularly and functionally analysed. Beside numerous chromosomal alterations, mutations in TP53, APC, PTEN and SMAD3 were identified. The cell lines express numerous cancer testis antigens, surface molecules involved in immune evasion but low levels of HLA class I molecules. They show strong invasive but in comparison weak migratory activity. The present work is the first description of patient-derived in vitro and in vivo models for CAC from a Crohn´s disease patient. They might be valuable tools for analysis of genetic and epigenetic alterations, biomarker identification, functional testing, including response prediction and the development of specific therapeutical strategies.
Effect of Light Scattering and Higher-order Aberrations on Visual Performance in Eyes with Granular Corneal Dystrophy
Authors: Kamiya Kazutaka , Kobashi Hidenaga , Igarashi Akihito , Shoji Nobuyuki , Shimizu Kimiya
Published: April 2016

This study was aimed to assess the relationship of intraocular forward scattering, corneal backward scattering and corneal higher-order aberrations (HOAs) with corrected distance visual acuity (CDVA) in eyes with granular corneal dystrophy (GCD). We retrospectively examined forty two eyes of 42 consecutive patients who diagnosed GCD and age-matched 20 eyes of 20 healthy subjects. We assessed objective scattering index (OSI) using the double-pass instrument (OQAS II, Visiometrics), corneal densitometry (CD) using the Scheimpflug rotating camera (Pentacam HR, Oculus) and corneal HOAs using the Hartmann-Shack aberrometry (KR-9000, Topcon). The OSI, CD and corneal HOAs were significantly larger in the GCD group than those in the control group (Mann-Whitney U test, p < 0.001). We found significant correlations of logMAR CDVA with the OSI (Spearman correlation coefficient r = 0.577, p < 0.001) and with the CD (r = 0.340, p = 0.028), but no significant association with corneal HOAs (r = 0.061, p = 0.701). Intraocular forward scattering, corneal backward scattering and corneal HOAs in eyes with GCD were higher than that in normal eyes. The CDVA was significantly correlated with intraocular forward scattering, but not with corneal HOAs in eyes with GCD, suggesting that light scattering, especially forward scattering, plays a more vital role in visual performance than corneal aberrations in eyes with GCD.
Intensity interrogation near cutoff resonance for label-free cellular profiling
Authors: Nazirizadeh Yousef , Behrends Volker , Prósz Aurél , Orgovan Norbert , Horvath Robert , Ferrie Ann M. , Fang Ye , Selhuber-Unkel Christine , Gerken Martina
Published: April 2016

We report a method enabling intensity-based readout for label-free cellular assays and realize a reader device with the same footprint as a microtiter plate. For unambiguous resonance intensity measurements in resonance waveguide grating (RWG) sensors, we propose to apply resonances near the substrate cutoff wavelength. This method was validated in bulk refractive index, surface bilayer and G protein-coupled receptor (GPCR) experiments. The significantly reduced size of the reader device opens new opportunities for easy integration into incubators or liquid handling systems.
Freezing and melting line invariants of the Lennard-Jones system
Authors: Costigliola Lorenzo , Schrøder Thomas B. , Dyre Jeppe C.
Published: April 2016

The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of isomorph theory.
Design and development of a poly(acrylonitrile-co-methyl methacrylate) copolymer to improve the viscoelastic and surface properties critical to scratch resistance
Authors: Gupta Nirav , Rai Roopali , Sikder Arun , Nandi Sangita , Tanwar Akhilesh , Khatokar Rukmini , Pask Stephen D. , Mitra Susanta
Published: April 2016

The present paper reports the design, development and evaluation of methyl methacrylate (MMA) and acrylonitrile (AN) copolymers to improve viscoelastic and surface properties critical to scratch resistance.
Monodisperse magnetic mesoporous silica microspheres facilitate the studies of gastric cancer-specific peptides in sera
Authors: Meng Cao , Zhen-Xian Zhou , Peng Cao , Kun Wang , Gang-Tian Zhu , Yu-Qi Feng , Shi-Hai Yan , Cheng-Cai Huang , Zhi-Rong Geng , Xiao-Dong Mao , Ning-Wei Zhao , Chao Liu
Published: April 2016

The prognosis of gastric cancer remains poor despite the recent improvements in therapies.
Challenges in tissue engineering – towards cell control inside artificial scaffolds
Authors: Emmert M. , Witzel P. , Heinrich D.
Published: April 2016

Control of living cells is vital for the survival of organisms. Each cell is exposed to diverse external mechano-chemical cues, all coordinated in a spatio-temporal pattern. Here, we describe how external mechano-chemical cues influence intracellular information transport for specific control of cell functions, especially for cell migration.
Dipolar interactions between domains in lipid monolayers at the air–water interface
Authors: Rufeil-Fiori Elena , Wilke Natalia , Banchio Adolfo J.
Published: April 2016

We propose a novel method to obtain the dipolar repulsion between domains in lipid monolayer with phase coexistence.
Ultrasensitive enrichment of phosphopeptides with Ti4+ immobilized SiO2 graphene-like multilayer nanosheets
Authors: Xu Dongpo , Gao Mingxia , Deng Chunhui , Zhang Xiangmin
Published: April 2016

Ti4+ immobilized SiO2 graphene-like multilayer nanosheets were designed and synthesized for the ultrasensitive enrichment of phosphopeptides with the detection limit of 1.0 pg μL−1 (4 × 10−17 mol μL−1).
Fabrication of dendrimer-releasing lipidic nanoassembly for cancer drug delivery
Authors: Sun Qihang , Ma Xinpeng , Zhang Bo , Zhou Zhuxian , Jin Erlei , Shen Youqing , Van Kirk Edward A. , Murdoch William J. , Radosz Maciej , Sun Weilin
Published: April 2016

Dendrimer/lipid nanoassemblies could intracellularly or extracellularly release small dendrimers to facilitate cancer drug tumor penetration.
Copper-mediated C(sp3)–H azidation with Me3SiN3: synthesis of imidazoles from ketones and aldehydes
Authors: Xie Zeqiang , Deng Jiaojiao , Qiu Zhiping , Li Juan , Zhu Qiang
Published: April 2016

The efficient construction of 2,4,5-trisubstituted imidazoles, through a copper-mediated three-component reaction involving ketones, aldehydes, and Me3SiN3, has been developed.
Investigation of local structural environments and room-temperature ferromagnetism in (Fe,Cu)-codoped In2O3 diluted magnetic oxide films
Authors: An Yukai , Xing Yaya , Pan Fei , Wu Zhonghua , Liu Jiwen
Published: April 2016

The observed room-temperature ferromagnetism for Fe and Cu codoped In2O3 has strong correlation with the FeIn + VO complex.
“Pnicogen bonds” or “chalcogen bonds”: exploiting the effect of substitution on the formation of P⋯Se noncovalent bonds
Authors: Shukla Rahul , Chopra Deepak
Published: April 2016

A direct comparison of pnicogen bonds and chalcogen bonds in P⋯Se non-covalent interactions.
New route toward nanosized crystalline metal borides with tuneable stoichiometry and variable morphologies
Authors: Gouget Guillaume , Beaunier Patricia , Portehault David , Sanchez Clément
Published: April 2016

Herein we highlight for the first time the ability to tune the stoichiometry of metal boride nanocrystals through nanoparticle synthesis in thermally stable inorganic molten salts. Two metal–boron systems are chosen as case studies: boron-poor nickel borides and boron-rich yttrium borides. We show that NiB, Ni4B3, Ni2B, Ni3B, and YB6 particles can be obtained as crystalline phases with good selectivity. Anisotropic crystallization is observed in two cases: the first boron-rich YB4 nanorods are reported, while boron-poor NiB nanoparticles show a peculiar crystal habit, as they are obtained as spheres with uniaxial defects related to the crystal structure. Crystallization mechanisms are proposed to account for the appearance of these two kinds of anisotropy at the nanoscale.
Carbon-coated silicon nanoparticle-embedded carbon sphere assembly electrodes with enhanced performance for lithium-ion batteries
Authors: Gueon Donghee , Lee Jaehyun , Lee Joong Kee , Moon Jun Hyuk
Published: April 2016

We demonstrate carbon-coated silicon nanoparticles embedded in monodisperse carbon spheres for lithium-ion batteries with high capacity retention.
Substituent effect in theoretical ROA spectra
Authors: Lipiński Piotr F. J. , Dobrowolski Jan Cz.
Published: April 2016

A correlational study of theoretical Raman Optical Activity spectra shows for the first time substituent effects on ROA intensity.
A multi-stimuli-responsive fluorescence switch based on E–Z isomerization of hydrazone
Authors: Zheng Hai-Rong , Niu Li-Ya , Chen Yu-Zhe , Wu Li-Zhu , Tung Chen-Ho , Yang Qing-Zheng
Published: April 2016

We report a new strategy to construct fluorescence switches by taking advantage of the E–Z isomerization of the hydrazone group.
Self-healing protective coatings of polyvinyl butyral/polypyrrole-carbon black composite on carbon steel
Authors: Niratiwongkorn Thanapoon , Luckachan Gisha Elizabeth , Mittal Vikas
Published: April 2016

The self-healing nature of polyvinyl butyral (PVB) based organic coatings incorporated with a conducting pigment polypyrrole-carbon black (PPyCB) composite is discussed.
Platinum nanoparticles inhibit bacteria proliferation and rescue zebrafish from bacterial infection
Authors: Ayaz Ahmed Khan Behlol , Raman Thiagarajan , Anbazhagan Veerappan
Published: April 2016

Platinum nanoparticles rescue zebrafish from bacterial infection.
Removal of endocrine disruptor di-(2-ethylhexyl)phthalate by modified polythiophene-coated magnetic nanoparticles: characterization, adsorption isotherm, kinetic study, thermodynamics
Authors: Baharin Siti Nor Atika , Muhamad Sarih Norazilawati , Mohamad Sharifah , Shahabuddin Syed , Sulaiman Khaulah , Ma'amor Azman
Published: April 2016

Superparamagnetic nanosorbent poly(phenyl(4-(6-thiophen-3-yl-hexyloxy)-benzylidene)-amine)/Fe3O4nanoparticles (Fe3O4@P3TArH) were successfully synthesizedviaa simplistic method for the enhanced extraction of potent endocrine disruptor, di-(2-ethylhexyl)phthalate (DEHP).
Fabrication of graphene-encapsulated Na3V2(PO4)3as high-performance cathode materials for sodium-ion batteries
Authors: Tao Shi , Wang Xingbo , Cui Peixin , Wang Yu , Haleem Yasir A. , Wei Shenghui , Huang Weifeng , Song Li , Chu Wangsheng
Published: April 2016

A thin layers graphene-encapsulated Na3V2(PO4)3(NVP/G) has been in the spotlight as a potential candidate of next generation batteries to compensate the intrinsic low electronic conductivity of NVP and strengthen its structure stable.
Tungsten-promoted titania as solid acid for catalytic hydrolysis of waste bottle PET in supercritical CO2
Authors: Guo Wen-Ze , Lu Hui , Li Xue-Kun , Cao Gui-Ping
Published: April 2016

Tungsten-promoted titania solid acid catalysts were synthesized by a hydrothermal method and used in the hydrolysis of waste bottle polyethylene terephthalate (PET) in supercritical CO2.
π-Plasmon absorption of carbon nanotubes for the selective and sensitive detection of Fe3+ ions
Authors: Cheung William , Patel Mehulkumar , Ma Yufeng , Chen Yuan , Xie Qiaoqiao , Lockard Jenny V. , Gao Yuan , He Huixin
Published: April 2016

The π-plasmon band of SWNTs can be used to selectively and sensitively detect Fe3+via the conjugation of Fe3+ selective siderophores.
1,3- and 1,4-Benzdiyne equivalents for regioselective synthesis of polycyclic heterocycles
Authors: Ikawa Takashi , Masuda Shigeaki , Takagi Akira , Akai Shuji
Published: April 2016

We developed a novel 1,3-benzdiyne equivalent sequentially generating two triple bonds in a single benzene ring and controlling the regiochemistry.
Enhancing the planar heterojunction perovskite solar cell performance through tuning the precursor ratio
Authors: Chang Jingjing , Zhu Hai , Xiao Juanxiu , Isikgor Furkan Halis , Lin Zhenhua , Hao Yue , Zeng Kaiyang , Xu Qing-Hua , Ouyang Jianyong
Published: April 2016

The presence of excess PbI2can affect the structure of perovskites and photovoltaic performance of perovskite solar cells. Increased open-circuit voltage could be achieved by introducing proper PbI2. However, shorter carrier lifetime and increased recombination and resistance were observed when an excess of PbI2was used.
VN hollow spheres assembled from porous nanosheets for high-performance lithium storage and the oxygen reduction reaction
Authors: Zhao Di , Cui Zhentao , Wang Shuguang , Qin Jinwen , Cao Minhua
Published: April 2016

A facile template-assisted strategy is developed for synthesizing VN hollow spheres assembled from porous nanosheets, which exhibit good lithium storage performance and excellent electrocatalytic activity for oxygen reduction reaction.
Active sites-enriched hierarchical MoS2 nanotubes: highly active and stable architecture for boosting hydrogen evolution and lithium storage
Authors: Wang Jin , Liu Jilei , Yang Hao , Chen Zhen , Lin Jianyi , Shen Ze Xiang
Published: April 2016

The design of nanostructures with sufficient active sites is considerably challenging but highly desirable for energy applications.
Shale-like Co3O4for high performance lithium/sodium ion batteries
Authors: Li Huan-Huan , Li Zi-Yao , Wu Xing-Long , Zhang Lin-Lin , Fan Chao-Ying , Wang Hai-Feng , Li Xiao-Ying , Wang Kang , Sun Hai-Zhu , Zhang Jing-Ping
Published: April 2016

Shale-like Co3O4(S-Co3O4) with a micro/nano-structure was preparedviaa simple pyrolysis of synthesised layer structured metal–organic compounds. The S-Co3O4exhibits expected high specific capacities, excellent cycle stability, and superior rate performance for lithium/sodium-ion batteries.
Electrodeposition of chitosan based on coordination with metal ions in situ-generated by electrochemical oxidation
Authors: Geng Zenghua , Wang Xia , Guo Xuecheng , Zhang Zheng , Chen Yanjun , Wang Yifeng
Published: April 2016

We report a new electrodeposition method for chitosan based on the coordination of chitosan to metal ions in situ-generated by simultaneous electrochemical oxidation.
Stereoselective synthesis and properties of 1,3-bis(dicyanomethylidene)indane-5-carboxylic acid acceptor fragment containing nonlinear optical chromophores
Authors: Traskovskis Kaspars , Kokars Valdis , Tokmakovs Andrejs , Mihailovs Igors , Nitiss Edgars , Petrova Marina , Belyakov Sergey , Rutkis Martins
Published: April 2016

A new indane based electron acceptor fragment has been developed and can be used to acquire NLO active chromophores with controlled stereochemistry.
Donor–acceptor π-conjugated aggregation-induced emission molecules for reversible nanometer-scale data storage
Authors: Li Shuhong , Shang Yanli , Wang Lifang , Kwok Ryan T. K. , Tang Ben Zhong
Published: April 2016

Donor–acceptor π-conjugated aggregation-induced emission molecule demonstrates reversible data storage on its thin film by scanning tunneling microscope.
Dynamic charging systems for electric vehicles: simulation for the daily energy estimation on motorways
Authors: Deflorio Francesco , Pinna Ivano , Castello Luca , Cantello Valeria
Published: April 2016

This study presents an application for motorway scenarios of charge while driving (CWD) also known as dynamic charging systems for fully electric vehicles (FEVs). This charging modality “in motion” strongly relies on intelligent transport systems (ITS) solutions, because it can be feasible and accepted by users if automatic identification, positioning and communications technologies are applied. The investigated case is a motorway with three lanes where the right‐hand lane is reserved for charging at defined speeds for FEVs. The input traffic flow for the motorway is simulated according to an hourly time profile along the day. To generalise the simulation for various traffic levels, the traffic flow for any time interval is estimated on the base of the traffic density, known from available data. The FEVs are only a part of the whole traffic and their input traffic is estimated as a percentage. The principal aim of this study is to estimate the daily energy provided to electric vehicles by the CWD system, which can be used, together with other data if available, to build possible business models and help stakeholders configure charging services. For this reason, the total energy provided is estimated by simulation for different scenarios.
Vehicle detection, counting and classification in various conditions
Authors: Kamkar Shiva , Safabakhsh Reza
Published: April 2016

Intelligent transportation systems have received a lot of attention in the last decades. Vehicle detection is the key task in this area and vehicle counting and classification are two important applications. In this study, the authors proposed a vehicle detection method which selects vehicles using an active basis model and verifies them according to their reflection symmetry. Then, they count and classify them by extracting two features: vehicle length in the corresponding time‐spatial image and the correlation computed from the grey‐level co‐occurrence matrix of the vehicle image within its bounding box. A random forest is trained to classify vehicles into three categories: small (e.g. car), medium (e.g. van) and large (e.g. bus and truck). The proposed method is evaluated using a dataset including seven video streams which contain common highway challenges such as different lighting conditions, various weather conditions, camera vibration and image blurring. Experimental results show the good performance of the proposed method and its efficiency for use in traffic monitoring systems during the day (in the presence of shadows), night and all seasons of the year.
Effect of annealing on exchange stiffness of ultrathin CoFeB film with perpendicular magnetic anisotropy
Authors: Sato Noriyuki , White Robert M. , Wang Shan X.
Published: April 2016

The effect of annealing on the exchange stiffness of ultrathin CoFeB films with perpendicular magnetic anisotropy was investigated through the observation of magnetic domain structures by magneto-optic Kerr-effect microscopy. A significant reduction of the exchange stiffness after an annealing process was observed, which is in striking contrast to a previous report that studied thick CoFeB films with in-plane magnetic anisotropy. Our results suggest that interdiffusion of non-magnetic atoms from the adjacent layer into CoFeB layer reduces the exchange stiffness, which explains the difference between the annealing effect on ultrathin and the thick CoFeB films. Thus, it is critical to prevent annealing-induced interdiffusion in order to suppress undesired sub-volume switching that degrades thermal stability of a free-layer in spin-transfer torque magnetic random access memory.
A q-Virasoro algebra at roots of unity, free fermions, and Temperley-Lieb hamiltonians
Authors: Nigro Alessandro
Published: April 2016

In this work, we consider the q-deformation of the Virasoro algebra [M. Chaichian and P. Presnajder, Phys. Lett. B 277, 109 (1992)] expressed in terms of free fermions, and we then realize this algebra, when the deformation parameter is a root of unity, on the lattice in a truncated form in terms of the Clifford algebra of Γ matrices. For this finite size truncation, the commutation relations of the Deformed algebra hold exactly albeit without central extension term. We then study the relations existing between this lattice truncation of the deformed Virasoro algebra at roots of unity and the tower of commuting Temperley-Lieb hamiltonians introduced in a previous work.
Equation-of-motion coupled cluster method for the description of the high spin excited states
Authors: Musiał Monika , Lupa Łukasz , Kucharski Stanisław A.
Published: April 2016

The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy (EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R1 and R2 singlet equations in the case of quintets, only R2 operator survives with 5 diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C2 molecule and quintet states of C and Si atoms.
Instability of Bose-Einstein condensation into the one-particle ground state on quantum graphs under repulsive perturbations
Authors: Bolte Jens , Kerner Joachim
Published: April 2016

In this paper we investigate Bose-Einstein condensation into the one-particle ground state in interacting quantum many-particle systems on graphs. We extend previous results obtained for particles on an interval and show that even arbitrarily small repulsive two-particle interactions destroy the condensate in the one-particle ground state present in the non-interacting Bose gas. Our results also cover singular two-particle interactions, such as the well-known Lieb-Liniger model, in the thermodynamic limit.
Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study
Authors: Guo Xugeng , Yuan Huijuan , An Beibei , Zhu Qiuling , Zhang Jinglai
Published: April 2016

Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S1 state, which may undergo an ultrafast non-radiative deactivation to the S0 state. The lifetime of the S1 state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solvent water has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in water solution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.
A broadband ferromagnetic resonance dipper probe for magnetic damping measurements from 4.2 K to 300 K
Authors: He Shikun , Panagopoulos Christos
Published: April 2016

A dipper probe for broadband Ferromagnetic Resonance (FMR) operating from 4.2 K to room temperature is described. The apparatus is based on a 2-port transmitted microwave signal measurement with a grounded coplanar waveguide. The waveguide generates a microwave field and records the sample response. A 3-stage dipper design is adopted for fast and stable temperature control. The temperature variation due to FMR is in the milli-Kelvin range at liquid helium temperature. We also designed a novel FMR probe head with a spring-loaded sample holder. Improved signal-to-noise ratio and stability compared to a common FMR head are achieved. Using a superconducting vector magnet we demonstrate Gilbert damping measurements on two thin film samples using a vector network analyzer with frequency up to 26 GHz: (1) A Permalloy film of 5 nm thickness and (2) a CoFeB film of 1.5 nm thickness. Experiments were performed with the applied magnetic field parallel and perpendicular to the film plane.
High spin-filter efficiency and Seebeck effect through spin-crossover iron–benzene complex
Authors: Yan Qiang , Zhou Liping , Cheng Jue-Fei , Wen Zhongqian , Han Qin , Wang Xue-Feng
Published: April 2016

Electronic structures and coherent quantum transport properties are explored for spin-crossover molecule iron-benzene Fe(Bz)2 using density functional theory combined with non-equilibrium Green’s function. High- and low-spin states are investigated for two different lead-molecule junctions. It is found that the asymmetrical T-shaped contact junction in the high-spin state behaves as an efficient spin filter while it has a smaller conductivity than that in the low-spin state. Large spin Seebeck effect is also observed in asymmetrical T-shaped junction. Spin-polarized properties are absent in the symmetrical H-shaped junction. These findings strongly suggest that both the electronic and contact configurations play significant roles in molecular devices and metal-benzene complexes are promising materials for spintronics and thermo-spintronics.
Theoretical evaluation of two dimensional electron gas characteristics of quaternary AlxInyGa1–x–yN/GaN hetero-junctions
Authors: Rahbardar Mojaver Hassan , Manouchehri Farzin , Valizadeh Pouya
Published: April 2016

The two dimensional electron gas (2DEG) characteristics of gated metal-face wurtzite AlInGaN/GaN hetero-junctions including positions of subband energy levels, fermi energy level, and the 2DEG concentration as functions of physical and compositional properties of the hetero-junction (i.e., barrier thickness and metal mole-fractions) are theoretically evaluated using the variational method. The calculated values of the 2DEG concentration are in good agreement with the sparsely available experimental data reported in the literature. According to our simulation results, a considerable shift in the positive direction of threshold voltage of AlInGaN/GaN hetero-junction field-effect transistors can be achieved by engineering both the spontaneous and the piezoelectric polarizations using a quaternary AlInGaN barrier-layer of appropriate mole-fractions.
Towards achieving strong coupling in three-dimensional-cavity with solid state spin resonance
Authors: Le Floch J.-M. , Delhote N. , Aubourg M. , Madrangeas V. , Cros D. , Castelletto S. , Tobar M. E.
Published: April 2016

We investigate the microwave magnetic field confinement in several microwave three-dimensional (3D)-cavities, using a 3D finite-element analysis to determine the best design and achieve a strong coupling between microwave resonant cavity photons and solid state spins. Specifically, we design cavities for achieving strong coupling of electromagnetic modes with an ensemble of nitrogen vacancy (NV) defects in diamond. We report here a novel and practical cavity design with a magnetic filling factor of up to 4 times (2 times higher collective coupling) than previously achieved using one-dimensional superconducting cavities with a small mode volume. In addition, we show that by using a double-split resonator cavity, it is possible to achieve up to 200 times better cooperative factor than the currently demonstrated with NV in diamond. These designs open up further opportunities for studying strong and ultra-strong coupling effects on spins in solids using alternative systems with a wider range of design parameters. The strong coupling of paramagnetic spin defects with a photonic cavity is used in quantum computer architecture, to interface electrons spins with photons, facilitating their read-out and processing of quantum information. To achieve this, the combination of collective coupling of spins and cavity mode is more feasible and offers a promising method. This is a relevant milestone to develop advanced quantum technology and to test fundamental physics principles.
Size effects in near-ultraviolet Raman spectra of few-nanometer-thick silicon-on-insulator nanofilms
Authors: Poborchii Vladimir , Morita Yukinori , Tada Tetsuya , Geshev Pavel I. , Utegulov Zhandos N. , Volkov Alexey
Published: April 2016

We have fabricated Si-on-insulator (SOI) layers with a thickness h1 of a few nanometers and examined them by Raman spectroscopy with 363.8 nm excitation. We have found that phonon and electron confinement play important roles in SOI with h1 < 10 nm. We have confirmed that the first-order longitudinal optical phonon Raman band displays size-induced major homogeneous broadening due to phonon lifetime reduction as well as minor inhomogeneous broadening due to wave vector relaxation (WVR), both kinds of broadening being independent of temperature. Due to WVR, transverse acoustic (TA) phonons become Raman-active and give rise to a broad band in the range of 100–200 cm−1. Another broad band appeared at 200–400 cm−1 in the spectrum of SOI is attributed to the superposition of 1st order Raman scattering on longitudinal acoustic phonons and 2nd order scattering on TA phonons. Suppression of resonance-assisted 2-nd order Raman bands in SOI spectra is explained by the electron-confinement-induced direct band gap enlargement compared to bulk Si, which is confirmed by SOI reflection spectra.
Influence of field emission on the propagation of cylindrical fast ionization wave in atmospheric-pressure nitrogen
Authors: Levko Dmitry , Raja Laxminarayan L.
Published: April 2016

The influence of field emission of electrons from surfaces on the fast ionization wave (FIW) propagation in high-voltage nanosecond pulse discharge in the atmospheric-pressure nitrogen is studied by a one-dimensional Particle-in-Cell Monte Carlo Collisions model. A strong influence of field emission on the FIW dynamics and plasma parameters is obtained. Namely, the accounting for the field emission makes possible the bridging of the cathode–anode gap by rather dense plasma (∼1013 cm−3) in less than 1 ns. This is explained by the generation of runaway electrons from the field emitted electrons. These electrons are able to cross the entire gap pre-ionizing it and promoting the ionization wave propagation. We have found that the propagation of runaway electrons through the gap cannot be accompanied by the streamer propagation, because the runaway electrons align the plasma density gradients. In addition, we have obtained that the field enhancement factor allows controlling the speed of ionization wave propagation.
Self-assembled growth and structural analysis of inclined GaN nanorods on nanoimprinted m-sapphire using catalyst-free metal-organic chemical vapor deposition
Authors: Lee Kyuseung , Chae Sooryong , Jang Jongjin , Min Daehong , Kim Jaehwan , Nam Okhyun
Published: April 2016

In this study, self-assembled inclined (1-10-3)-oriented GaN nanorods (NRs) were grown on nanoimprinted (10-10) m-sapphire substrates using catalyst-free metal-organic chemical vapor deposition. According to X-ray phi-scans, the inclined GaN NRs were tilted at an angle of ∼57.5° to the [10-10]sapp direction. Specifically, the GaN NRs grew in a single inclined direction to the [11-20]sapp. Uni-directionally inclined NRs were formed through the one-sided (10-11)-faceted growth of the interfacial a-GaN plane layer. It was confirmed that a thin layer of a-GaN was formed on r-facet nanogrooves of the m-sapphire substrate by nitridation. The interfacial a-GaN nucleation affected both the inclined angle and the growth direction of the inclined GaN NRs. Using X-ray diffraction and selective area electron diffraction, the epitaxial relationship between the inclined (1-10-3) GaN NRs and interfacial a-GaN layer on m-sapphire substrates was systematically investigated. Moreover, the inclined GaN NRs were observed to be mostly free of stacking fault-related defects using high-resolution transmission electron microscopy.