bluuebunny/crossref_metadata_2025 huggingface dataset:
Omics for prediction of environmental health effects: Blood leukocyte-based cross-omic profiling reliably predicts diseases associated with tobacco smoking
Authors: Georgiadis Panagiotis , Hebels Dennie G. , Valavanis Ioannis , Liampa Irene , Bergdahl Ingvar A. , Johansson Anders , Palli Domenico , Chadeau-Hyam Marc , Chatziioannou Aristotelis , Jennen Danyel G. J. , Krauskopf Julian , Jetten Marlon J. , Kleinjans Jos C. S. , Vineis Paolo , Kyrtopoulos Soterios A. ,   The EnviroGenomarkers consortium, Gottschalk Ralph , van Leeuwen Danitsja , Timmermans Leen , de Kok Theo M.C.M. , Botsivali Maria , Bendinelli Benedetta , Kelly Rachel , Vermeulen Roel , Portengen Lutzen , Saberi-Hosnijeh Fatemeh , Melin Beatrice , Hallmans Göran , Lenner Per , Keun Hector C. , Siskos Alexandros , Athersuch Toby J. , Kogevinas Manolis , Stephanou Euripides G. , Myridakis Antonis , Fazzo Lucia , De Santis Marco , Comba Pietro , Kiviranta Hannu , Rantakokko Panu , Airaksinen Riikka , Ruokojärvi Päivi , Gilthorpe Mark , Fleming Sarah , Fleming Thomas , Tu Yu-Kang , Jonsson Bo , Lundh Thomas , Chen Wei J. , Lee Wen-Chung , Kate Hsiao Chuhsing , Chien Kuo-Liong , Kuo Po-Hsiu , Hung Hung , Liao Shu-Fen
Published: February 2016

The utility of blood-based omic profiles for linking environmental exposures to their potential health effects was evaluated in 649 individuals, drawn from the general population, in relation to tobacco smoking, an exposure with well-characterised health effects. Using disease connectivity analysis, we found that the combination of smoking-modified, genome-wide gene (including miRNA) expression and DNA methylation profiles predicts with remarkable reliability most diseases and conditions independently known to be causally associated with smoking (indicative estimates of sensitivity and positive predictive value 94% and 84%, respectively). Bioinformatics analysis reveals the importance of a small number of smoking-modified, master-regulatory genes and suggest a central role for altered ubiquitination. The smoking-induced gene expression profiles overlap significantly with profiles present in blood cells of patients with lung cancer or coronary heart disease, diseases strongly associated with tobacco smoking. These results provide proof-of-principle support to the suggestion that omic profiling in peripheral blood has the potential of identifying early, disease-related perturbations caused by toxic exposures and may be a useful tool in hazard and risk assessment.
Three DUF1996 Proteins Localize in Vacuoles and Function in Fungal Responses to Multiple Stresses and Metal Ions
Authors: Tong Sen-Miao , Chen Ying , Ying Sheng-Hua , Feng Ming-Guang
Published: February 2016

Many annotated fungal genomes harbour high proportions of hypothetical proteins with or without domains of unknown function (DUF). Here, three novel proteins (342−497 amino acids), each containing only a single large DUF1996 (231−250 residues) region with highly conserved head (DPIXXP) and tail (HXDXXXGW) signatures, were expressed as eGFP-tagged fusion proteins and shown to specifically localize in the vacuoles of Beauveria bassiana, a filamentous fungal entomopathogen; therefore, these proteins were named vacuole-localized proteins (VLPs). The VLPs have one to three homologues in other entomopathogenic or non-entomopathogenic filamentous fungi but no homologues in yeasts. The large DUF1996 regions can be formulated as D-X4-P-X5–6-H-X-H-X3-G-X25–26-D-X-S-X-YW-X-P-X123–203-CP-X39–48-H-X-D-X3-GW; the identical residues likely involve in a proton antiport system for intracellular homeostasis. Single deletions of three VLP-coding genes (vlp1–3) increased fungal sensitivities to cell wall perturbation, high osmolarity, oxidation and several metal ions. Conidial thermotolerance decreased by ~11% in two Δvlp mutants and UV-B resistance decreased by 41−57% in three Δvlp mutants. All the changes were restored by targeted gene complementation. However, the deletions did not influence fungal growth, conidiation, virulence or Cu2+ sensitivity. Our findings unveiled a role for the DUF1996 regions of three B. bassiana VLPs in the regulation of multiple stress responses and environmental adaptation.
An efficient Potato virus X -based microRNA silencing in Nicotiana benthamiana
Authors: Zhao Jinping , Liu Qingtao , Hu Pu , Jia Qi , Liu Na , Yin Kangquan , Cheng Ye , Yan Fei , Chen Jianping , Liu Yule
Published: February 2016

Plant microRNAs (miRNAs) play pivotal roles in many biological processes. Although many miRNAs have been identified in various plant species, the functions of these miRNAs remain largely unknown due to the shortage of effective genetic tools to block their functional activity. Recently, miRNA target mimic (TM) technologies have been applied to perturb the activity of specific endogenous miRNA or miRNA families. We previously reported thatTobacco rattle virus(TRV)-based TM expression can successfully mediate virus-based miRNA silencing/suppression (VbMS) in plants. In this study, we show thePotato virus X(PVX)-based TM expression causes strong miRNA silencing inNicotiana benthamiana. The PVX-based expression of short tandem target mimic (STTMs) against miR165/166 and 159 caused the corresponding phenotype in all infected plants. Thus, a PVX-based VbMS is a powerful method to study miRNA function and may be useful for high-throughput investigation of miRNA function inN. benthamiana.
Role of brassinosteroid signaling in modulating Tobacco mosaic virus resistance in Nicotiana benthamiana
Authors: Deng Xing-Guang , Zhu Tong , Peng Xing-Ji , Xi De-Hui , Guo Hongqing , Yin Yanhai , Zhang Da-Wei , Lin Hong-Hui
Published: February 2016

Plant steroid hormones, brassinosteroids (BRs), play essential roles in plant growth, development and stress responses. However, mechanisms by which BRs interfere with plant resistance to virus remain largely unclear. In this study, we used pharmacological and genetic approaches in combination with infection experiments to investigate the role of BRs in plant defense against Tobacco Mosaic Virus (TMV) in Nicotiana benthamiana. Exogenous applied BRs enhanced plant resistance to virus infection, while application of Bikinin (inhibitor of glycogen synthase kinase-3), which activated BR signaling, increased virus susceptibility. Silencing of NbBRI1 and NbBSK1 blocked BR-induced TMV resistance and silencing of NbBES1/BZR1 blocked Bikinin-reduced TMV resistance. Silencing of NbMEK2, NbSIPK and NbRBOHB all compromised BR-induced virus resistance and defense-associated genes expression. Furthermore, we found MEK2-SIPK cascade activated while BES1/BZR1 inhibited RBOHB-dependent ROS production, defense gene expression and virus resistance induced by BRs. Thus, our results revealed BR signaling had two opposite effects on viral defense response. On the one hand, BRs enhanced virus resistance through MEK2-SIPK cascade and RBOHB-dependent ROS burst. On the other hand, BES1/BZR1 inhibited RBOHB-dependent ROS production and acted as an important mediator of the trade-off between growth and immunity in BR signaling.
Erratum: The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase
Authors: Flayhan Ali , Bergé Célia , Baïlo Nathalie , Doublet Patricia , Bayliss Richard , Terradot Laurent
Published: February 2016

Scientific Reports 5: Article number: 14602; published online: 30 September 2015; updated: 03 February 2016 In the original version of this Article, Laurent Terradot was incorrectly listed as being affiliated with ‘Department of Biochemistry, University of Leicester, Leicester LE1 9HN, United Kingdom’.
Unraveling near-field and far-field relationships for 3D SERS substrates – a combined experimental and theoretical analysis
Authors: Kurouski Dmitry , Large Nicolas , Chiang Naihao , Greeneltch Nathan , Carron Keith T. , Seideman Tamar , Schatz George C. , Van Duyne Richard P.
Published: February 2016

Simplicity and low cost has positioned inkjet 3D substrates as the most commonly used SERS platforms for the detection and the identification of analytes down to the nanogram and femtogram levels.
Quantitative mass spectrometry imaging of small-molecule neurotransmitters in rat brain tissue sections using nanospray desorption electrospray ionization
Authors: Bergman Hilde-Marléne , Lundin Erik , Andersson Malin , Lanekoff Ingela
Published: February 2016

Nano-DESI mass spectrometry imaging enables quantitative imaging of small-molecule neurotransmitters which are essential to the function of the nervous system.
CuII-based metal–organic nanoballs for very rapid adsorption of dyes and iodine
Authors: Amayuelas Eder , Fidalgo-Marijuán Arkaitz , Bazán Begoña , Urtiaga Miren-Karmele , Barandika Gotzone , Arriortua María-Isabel
Published: February 2016

MOP nanoballs for rapid adsorption of dyes and iodine.
Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres
Authors: Bowen Alice M. , Jones Michael W. , Lovett Janet E. , Gaule Thembanikosi G. , McPherson Michael J. , Dilworth Jonathan R. , Timmel Christiane R. , Harmer Jeffrey R.
Published: February 2016

Analysis of orientation-selective DEER measurements using Cu(ii) centres in a series of molecules demonstrates its limits and capabilities in structure elucidation.
Oxygen vacancies as active sites for H2S dissociation on the rutile TiO2(110) surface: a first-principles study
Authors: Wang Fang , Wei Shiqian , Zhang Zhi , Patzke Great R. , Zhou Ying
Published: February 2016

Bridged oxygen vacancies act as active surface sites markedly reducing the energy barriers for the paths along H2S dissociation on the rutile TiO2(110) surface.
Regulation of nonadiabatic processes in the photolysis of some carbonyl compounds
Authors: Lin King-Chuen
Published: February 2016

An energy scheme involving So → S1 excitation, followed by dissociation channels via diabatic coupling, internal conversion, transition state and roaming mechanisms.
Synthesis of magnetofluorescence Gd-doped CuInS2/ZnS quantum dots with enhanced longitudinal relaxivity
Authors: Chang Jia-Yaw , Chen Guan-Rong , Li Jyun-Dong
Published: February 2016

Gd-doped CuInS2/ZnS quantum dots were synthesized in a one-pot reaction under microwave irradiation; these quantum dots exhibited great potential as dual-modal nanoprobes for optical/MR imaging.
Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals
Authors: Li Linping , Yang Zhihua , Lei Bing-Hua , Kong Qingrong , Lee Ming-Hsein , Zhang Bingbing , Pan Shilie , Zhang Jun
Published: February 2016

Besides the recognized contribution of the π-conjugation configuration of BO3to SHG responses, the bridging oxygens between the tetrahedra have a non-negligible influence.
Electrochemical fabrication and interfacial charge-transfer process of Ni/GaN(0001) electrodes
Authors: Qin Shuang-Jiao , Peng Fei , Chen Xue-Qing , Pan Ge-Bo
Published: February 2016

A detailed study of the electrodeposition of Ni on single-crystal n-GaN(0001). The interfacial charge-transfer process of Ni/n-GaN was explored for the first time.
Nanoscale characterization illustrates the cisplatin-mediated biomechanical changes of B16-F10 melanoma cells
Authors: Kung Mei-Lang , Hsieh Chiung-Wen , Tai Ming-Hong , Weng Chien-Hui , Wu Deng-Chyang , Wu Wen-Jeng , Yeh Bi-Wen , Hsieh Shu-Ling , Kuo Chao-Hung , Hung Huey-Shan , Hsieh Shuchen
Published: February 2016

Cisplatin reshapes spindle-like B16-F10 cells by altering their biomechanical properties, activating FAK/Src focal adhesion signaling, and reorganizing the cytoskeleton.
Allenes, versatile unsaturated motifs in transition-metal-catalysed [2+2+2] cycloaddition reactions
Authors: Lledó A. , Pla-Quintana A. , Roglans A.
Published: February 2016

ThisTutorial Reviewhighlights the versatility of allenes as unsaturated substrates in transition-metal-catalysed [2+2+2] cycloaddition reactions in generating complex architectures.
Long persistent phosphors—from fundamentals to applications
Authors: Li Yang , Gecevicius Mindaugas , Qiu Jianrong
Published: February 2016

We present multidisciplinary research on synthetic methods, afterglow mechanisms, characterization techniques, material kinds, and applications of long persistent phosphors.
Stimulated Raman scattering microscopy: an emerging tool for drug discovery
Authors: Tipping W. J. , Lee M. , Serrels A. , Brunton V. G. , Hulme A. N.
Published: February 2016

Stimulated Raman scattering and the use of bioorthogonal tags provide novel imaging platforms to facilitate the drug discovery process.
Fabrication of Ag/Mn3O4 nano-architectures for the one-step selective oxidation of 3-picoline to niacin: a key to vitamin B3 production
Authors: Ghosh Shilpi , Acharyya Shankha S. , Sharma Sachin K. , Bal Rajaram
Published: February 2016

Silver nanoparticles supported on spinel Mn3O4 nanorods efficiently transformed 3-methylpyridine to niacin using hydrogen peroxide as an oxidant.
Protective effects of rice dreg protein hydrolysates against hydrogen peroxide-induced oxidative stress in HepG-2 cells
Authors: Zhang Xinxia , Wang Li , Wang Ren , Luo Xiaohu , Li Yanan , Chen Zhengxing
Published: February 2016

In this paper, the effects of rice dreg protein hydrolysates (RDPHs) obtained by various proteases on hydrogen peroxide-induced oxidative stress in HepG-2 cells were investigated.
Pneumatically actuated microvalve circuits for programmable automation of chemical and biochemical analysis
Authors: Kim Jungkyu , Stockton Amanda M. , Jensen Erik C. , Mathies Richard A.
Published: February 2016

This article reviews programmable microfluidic platforms using pneumatically actuated microvalve array and their applications on biological and chemical analysis.
A simple protocol for Cu-catalyzed protodecarboxylation of (hetero)aromatic carboxylic acids
Authors: Li Zhaojie , Fu Zhengjiang , Zhang Haixia , Long Jiao , Song Yuanyuan , Cai Hu
Published: February 2016

A simple and practical protodecarboxylation of (hetero)aromatic carboxylic acids with various substituents through using CuI/Et3N has been advantageously achieved.
Marine natural products
Authors: Blunt John W. , Copp Brent R. , Keyzers Robert A. , Munro Murray H. G. , Prinsep Michèle R.
Published: February 2016

This review of marine natural products for 2014 describes 1378 new compounds and reports structural revisions or assignments of absolute configuration for previously reported compounds. Since 1965 MNP chemists have made ∼9000 collections worldwide yielding ∼25 700 new MNPs. The rate of discovery of MNPs by region is examined in this review.
Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines
Authors: Ferreira Juliana , Duarte Vera C. M. , Noro Jennifer , Gil Fortes António , Alves Maria J.
Published: February 2016

Different electron-rich dienophiles were combined with the imine obtained from 2,4-O-benzylidene-d-erythrose and p-anisidine furnishing enantiomerically pure tetrahydroquinolines, by inverse electron-demand [4π + 2π] cycloaddition.
Iodine-catalyzed synthesis of dibenzo[b,h][1,6]naphthyridine-11-carboxamides via a domino reaction involving double elimination of hydrogen bromide
Authors: Feng Bin-Bin , Lu Lian , Li Chao , Wang Xiang-Shan
Published: February 2016

The 6-oxo-5,6-dihydrodibenzo[b,h][1,6]naphthyridine-11-carboxamides were synthesized via a domino reaction as the two bromine atoms in mucobromic acid were found missing.
pH-Responsive single-layer honeycomb supramolecular organic frameworks that exhibit antimicrobial activity
Authors: Zhang Liang , Jia Youli , Wang Hui , Zhang Dan-Wei , Zhang Qi , Liu Yi , Li Zhan-Ting
Published: February 2016

2D single-layer supramolecular organic frameworks have been constructed, which exhibit antimicrobial activity and pH-responsivity.
Flattening sol–gel nanospheres into a carbon sheet-intercalated cobalt/carbon/cobalt sandwich-nanostructure
Authors: Gao Peng , Yang Yurong , Bao Di , Chen Yujin , Wang Ying , Yang Piaoping , Zhang Xitian
Published: February 2016

Uniform cobalt/carbon/cobalt sandwich-like nanosheet stacks have been constructed by using sol–gel nanospheres covered with CoII–CoIII–LDH as a precursor.
Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids
Authors: Jiao Lihui , Zhao Xiaowei , Liu Huixin , Ye Xinyi , Li Yun , Jiang Zhiyong
Published: February 2016

The first asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins using an l-threonine-based tertiary amine-urea catalyst has been developed.
Design and development of a novel cellulose/γ-Fe2O3/Ag nanocomposite: a potential green catalyst and antibacterial agent
Authors: Maleki Ali , Movahed Hamed , Paydar Reza
Published: February 2016

A new cellulose-based nanocomposite was synthesized, characterization and used for the synthesis of imidazoles and α-aminonitriles, and antibacterial property was investigated.
The radical cation mediated cleavage of catharanthine leading to the vinblastine type alkaloids: implications for total synthesis and drug design
Authors: Alehashem Maryam Sadat , Lim Chuan-Gee , Thomas Noel F.
Published: February 2016

Comparison of the Boger and Kutney mechanistic interpretations for the FeCl3promoted oxidative coupling of vindoline and catharanthine.
Oxidative desulfurization of dibenzothiophene using a catalyst of molybdenum supported on modified medicinal stone
Authors: Qiu Lu , Cheng Yan , Yang Chunping , Zeng Guangming , Long Zhiyong , Wei Sainan , Zhao Kun , Luo Le
Published: February 2016

In this paper, the performance of catalytic oxidative desulfurization from model oil was studied using a catalyst of molybdenum supported on modified medicinal stone (Mo/MMS).
Relay recognition of F−and a nerve-agent mimic diethyl cyano-phosphonate in mixed aqueous media: discrimination of diethyl cyanophosphonate and diethyl chlorophosphate by cyclization induced fluorescence enhancement
Authors: Das Avijit Kumar , Goswami Shyamaprosad , Quah Ching Kheng , Fun Hoong-Kun
Published: February 2016

F−to DCNP detection by relay recognition has been designed and realized for the first time with sequence specificity (F−→ DCNP)viaa fluorescence “off–on–on” mechanism.
Metal nanoparticle catalyzed charge rearrangement in selenourea probed by surface-enhanced Raman scattering
Authors: Dhayagude Akshay C. , Maiti Nandita , Debnath Anil K. , Joshi Satyawati S. , Kapoor Sudhir
Published: February 2016

The adsorption behavior of selenourea (SeU) on Ag and Au nanoparticles was investigated using the surface-enhanced Raman scattering technique in combination with X-ray photoelectron spectroscopy and density functional theoretical calculations.
Biocompatibility assessment of type-II collagen and its polypeptide for tissue engineering: effect of collagen's molecular weight and glycoprotein content on tumor necrosis factor (Fas/Apo-1) receptor activation in human acute T-lymphocyte leukemia cell line
Authors: Jeevithan E. , Jingyi Z. , Bao B. , Shujun W. , JeyaShakila R. , Wu W. H.
Published: February 2016

Fas cell surface death receptor activation by low molecular weight (57, 40 and 25 kDa) collagens was investigated based on MW and glycoprotein content.
Fabrication of paper micro-devices with wax jetting
Authors: Li Zong'an , Yang Jiquan , Zhu Li , Tang Wencheng
Published: February 2016

(a) Wax droplets of 200 μm jetted on glass slide. (b) Wax line on glass slide with degree of overlapping 50%. (c) Paper micro fluidic device running with yellow dye for multi-assay.
Enantiomeric resolution and simulation studies of four enantiomers of 5-bromo-3-ethyl-3-(4-nitrophenyl)-piperidine-2,6-dione on a Chiralpak IA column
Authors: Ali Imran , Lone Mohammad Nadeem , Suhail Mohd. , AL-Othman Zeid A. , Alwarthan Abdulrahman
Published: February 2016

Enantiomeric resolution and simulation studies of four enantiomers of 5-bromo-3-ethyl-3-(4-nitrophenyl)-piperidine-2,6-dione on a Chiralpak IA column were presented.
An electrochemiluminescence lab-on-paper device for sensitive detection of two antigens at the MCF-7 cell surface based on porous bimetallic AuPd nanoparticles
Authors: Su Min , Liu Haiyun , Ge Shenguang , Ren Na , Ding Longhua , Yu Jinghua , Song Xianrang
Published: February 2016

Sensitive detection of two antigens at the MCF-7 cell surface based on porous bimetallic AuPd nanopar.
Facile surfactant-assisted synthesis of CTAB-incorporated MoS2 ultrathin nanosheets for efficient hydrogen evolution
Authors: Guo Zhiyan , Ma Qingxuan , Xuan Zongwei , Du Fanglin , Zhong Yang
Published: February 2016

CTAB-incorporated MoS2 ultrathin nanosheets exhibit an excellent activity for HER with a small onset potential, a low Tafel slope, and relatively good stability.
Diversity oriented synthesis of β-carbolinone and indolo-pyrazinone analogues based on an Ugi four component reaction and subsequent cyclisation of the resulting indole intermediate
Authors: Purohit Pooja , Pandey Anand Kumar , Kumar Brijesh , Chauhan Prem M. S.
Published: February 2016

One pot two step synthesis of β-carbolinone and indolo-pyrazinone analogues via acid mediated cyclisation of Ugi intermediate has been developed with a wide substrate scope.
Transcriptome-wide identification of sucrose synthase genes in Ornithogalum caudatum
Authors: Li Li-Na , Kong Jian-Qiang
Published: February 2016

A transcriptome-wide discovery and functional identification of a sucrose synthase family was presented. Importantly, OcSus1 and OcSus2 were first verified to be responsible for the biosynthesis of glucose-containing polysaccharides inO. caudatum.
Gold-catalyzed formation of core–shell gold–palladium nanoparticles with palladium shells up to three atomic layers
Authors: Chen Dong , Li Jiaqi , Cui Penglei , Liu Hui , Yang Jun
Published: February 2016

A gold-catalyzed strategy was reported to synthesize core–shell gold–palladium nanoparticles with palladium shells up to three atomic layers.
Mesoporous nanoparticles Gd2O3@mSiO2/ZnGa2O4:Cr3+,Bi3+ as multifunctional probes for bioimaging
Authors: Dai W. B. , Lei Y. F. , Ye S. , Song E. H. , Chen Z. , Zhang Q. Y.
Published: February 2016

Multifunctional core/shell Gd2O3@mSiO2/ZGOCB nanoparticles have been prepared. The drug storage/release, magnetic and long afterglow luminescence properties make it to be a promising candidate as a potential platform for therapeutics and diagnostics of reactive species in living cells or in vivo.
Tuning of molecular qubits: very long coherence and spin–lattice relaxation times
Authors: Bader K. , Winkler M. , van Slageren J.
Published: February 2016

Transition metal phthalocyanines possess very long coherence times if the unpaired electron is in the plane of the ligand.
Ir–Cu nanoframes: one-pot synthesis and efficient electrocatalysts for oxygen evolution reaction
Authors: Pei Jiajing , Mao Junjie , Liang Xin , Chen Chen , Peng Qing , Wang Dingsheng , Li Yadong
Published: February 2016

We achieved successful synthesis of alloy nanoframes, including bi-metallic and tri-metallic nanoframes, which show superior catalytic properties toward OER.
Rational design and synthesis of a porous, task-specific polycarbazole for efficient CO2 capture
Authors: Jin Tian , Xiong Yan , Zhu Xiang , Tian Ziqi , Tao Duan-Jian , Hu Jun , Jiang De-en , Wang Hualin , Liu Honglai , Dai Sheng
Published: February 2016

A novel porous pyridine-functionalized polycarbazole, prepared based on in silico simulations, exhibits a superior CO2 uptake at 1.0 bar and 273 K (5.57 mmol g−1).
The effect of the nanosize on surface properties of NiO nanoparticles for the adsorption of Quinolin-65
Authors: Marei Nedal N. , Nassar Nashaat N. , Vitale Gerardo
Published: February 2016

Using Quinolin-65 (Q-65) as a model-adsorbing compound for polar heavy hydrocarbons, the nanosize effect of NiO nanoparticles on the adsorption of Q-65 was investigated.
Photoluminescence properties of Yb2+ ions doped in the perovskites CsCaX3 and CsSrX3 (X = Cl, Br, and I) – a comparative study
Authors: Suta Markus , Urland Werner , Daul Claude , Wickleder Claudia
Published: February 2016

Photoluminescence spectra of Yb2+ ions doped into CsCaX3 and CsSrX3 (X = Cl, Br, and I) depict a manifold of transitions in high resolution, which allows a detailed understanding of the optical properties of divalent lanthanide ions in perovskite host lattices.
Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state 15N CPMAS NMR correlations
Authors: Pettinari Riccardo , Marchetti Fabio , Pettinari Claudio , Condello Francesca , Skelton Brian W. , White Allan H. , Chierotti Michele R. , Gobetto Roberto
Published: February 2016

Mono- and tetranuclear Ru(ii) half-sandwich complexes containing acylpyrazolone ligands. 13C and 15N solid state NMR spectroscopy.
Manganism and Parkinson's disease: Mn(ii) and Zn(ii) interaction with a 30-amino acid fragment
Authors: Remelli Maurizio , Peana Massimiliano , Medici Serenella , Ostrowska Malgorzata , Gumienna-Kontecka Elzbieta , Zoroddu Maria Antonietta
Published: February 2016

A 30-amino acid fragment, Ac-SPDEKHELMIQLQKLDYTVGFCGDGANDCG-Am, from residues 1164 to 1193 in the encoded protein from Parkinson's disease gene Park9 (YPk9), was studied for manganese and zinc binding.
Stereocomplex crystallites induce simultaneous enhancement in impact toughness and heat resistance of injection-molded polylactide/polyurethane blends
Authors: Dai Jia , Bai Hongwei , Liu Zhenwei , Chen Liang , Zhang Qin , Fu Qiang
Published: February 2016

A promising strategy for the manufacture of super-toughened and heat-resistant PLLA/elastomer blends by using practical melt processing technology with the aid of stereocomplex crystallites is presented.
Electrochemical behavior of a novel nano-composite coat on Ti alloy in phosphate buffer solution for biomedical applications
Authors: Fekry Amany M.
Published: February 2016

A novel nano-composite film coat of organic/inorganic composition including chitosan (CS), TiO2 nanoparticles (TO) and hydroxyapatite (HA) nanoparticles, was synthesized on a Ti–6Al–4V alloy surface.
Organic/inorganic epitaxy: commensurate epitaxial growth of truxenone on Cu (111)
Authors: Ramadan A. J. , Nielsen C. B. , Holliday S. , Jones T. S. , McCulloch I. , Rochford L. A.
Published: February 2016

Truxenone on Cu (111) shows two packing motifs which exist at low and high coverage, and coexist at intermediate coverage.
Microwave-assisted facile synthesis of yellow fluorescent carbon dots from o-phenylenediamine for cell imaging and sensitive detection of Fe3+ and H2O2
Authors: Song Li , Cui Yanyan , Zhang Chunfang , Hu Zhongbo , Liu Xiangfeng
Published: February 2016

CDs synthesized from o-phenylenediamine through microwave-assisted method show great potential for Fe3+ and H2O2 detection as well as cell imaging.
Hybrid HVDC circuit breaker with self‐powered gate drives
Authors: Effah Francis B. , Watson Alan J. , Ji Chao , Amankwah Emmanuel , Johnson C. Mark , Davidson Colin , Clare Jon
Published: February 2016

The ever increasing electric power demand and the advent of renewable energy sources have revived the interest in high‐voltage direct current (HVDC) multi‐terminal networks. However, the absence of a suitable circuit breaker (CB) or fault tolerant voltage source converter station topologies with the required characteristics (such as operating speed) have, until recently, been an obstacle in the development of large scale multi‐terminal networks for HVDC. This study presents a hybrid HVDC CB concept which is capable of meeting the requirements of HVDC networks. Simulation results are presented which are validated by experimental results taken from a 2.5 kV, 700 A rated laboratory prototype.
Controlling a microdisk laser by local refractive index perturbation
Authors: Liew Seng Fatt , Ge Li , Redding Brandon , Solomon Glenn S. , Cao Hui
Published: February 2016

We demonstrate a simple yet effective approach of controlling lasing in a semiconductor microdisk by photo-thermal effect. A continuous wave green laser beam, focused onto the microdisk perimeter, can enhance or suppress lasing in different cavity modes, depending on the position of the focused beam. Its main effect is a local modification of the refractive index of the disk, which results in an increase in the power slope of some lasing modes and a decrease of others. The boundary roughness breaks the rotational symmetry of a circular disk, allowing the lasing process to be tuned by varying the green beam position. Using the same approach, we can also fine tune the relative intensity of a quasi-degenerate pair of lasing modes. Such post-fabrication control, enabled by an additional laser beam, is flexible and reversible, thus enhancing the functionality of semiconductor microdisk lasers.
Phase transitions, domain structure, and pseudosymmetry in La- and Ti-doped BiFeO3
Authors: Khesro Amir , Boston Rebecca , Sterianou Iasmi , Sinclair Derek C. , Reaney Ian M.
Published: February 2016

The phase transitions and domain structure of the promising PbO-free solid solution series, (0.95-x)BiFeO3-xLaFeO3-0.05La2/3TiO3, were investigated. X ray diffraction (XRD) revealed a transition from a ferroelectric R3c to a PbZrO3-like (Pbam) antiferroelectric (AFE) structure at x = 0.15 followed by a transition to a paraelectric (PE, Pnma) phase at x > 0.30. The ferroelastic/ferroelectric twin domain width decreased to 10–20 nm with increasing x as the AFE phase boundary was approached but coherent antiphase tilted domains were an order of magnitude greater. This domain structure suggested the local symmetry (20 nm) is lower than the average structure (R3c, a−a−a−) of the tilted regions. The PE phase (x = 0.35) exhibited a dominant a−a−c+ tilt system with Pnma symmetry but diffuse reflections at ∼1/4{ooe} positions suggest that short range antipolar order is residual in the PE phase. The complex domain structure and phase assemblage of this system challenge the conventional interpretation of phase transitions based on macroscopic symmetry. Instead, it supports the notion that frustration driven by chemical distributions at the nanometric level influences the local or pseudo-symmetry as well as the domain structure, with XRD giving only the average macroscopic structure.
Classification of crystal defects in multicrystalline silicon solar cells and wafer using spectrally and spatially resolved photoluminescence
Authors: Lausch D. , Mehl T. , Petter K. , Svarstad Flø A. , Burud I. , Olsen E.
Published: February 2016

In this contribution, spectral photoluminescence (SPL) imaging detecting both the spectral distribution and the lateral position is applied on recombination active defects in multicrystalline silicon solar cells and wafers. The result is analysed by a Multivariate Curve Resolution (MCR) algorithm using the spectral photoluminescence response and their positions. (i) Without any pre-assumptions made, the algorithm distinguishes four different recombination active defect types. Looking at the spatial distribution, it is shown that two of these defect types coincide with two defect types that have been distinguished on solar cell level using an analysis of forward and reverse biased electroluminescence (denoted as Type-A and -B) previously. (ii) Using SPL, all previously classified defects can also be distinguished at the wafer level. Therefore, the defects limiting the solar cell efficiency are already present in the wafer material and not introduced by the solar cell process. This is of particular interest for the question of how to predict the solar cell efficiency based on the PL measurements at the wafer level. The SPL is able to distinguish between the recombination activity of the dominant Type-A and -B defects that cannot be distinguished by classical PL measurements of the band-to-band recombination at the wafer level. The technique also highlights the changes in recombination activity of the given defects throughout the fabrication process. (iii) Additionally, it is shown that the spectral peak positions of Type-A defects coincide with the known D3 and D4 lines and of Type-B defects with the D1 line on both solar cell and wafer level. Two further defects are captured by the MCR algorithm denoted as Type-VID3 and Type-D07 defects occurring as spot-like defects in isolated positions. Their spectral PL response is analysed as well.
Ab initio 3D potential energy and dipole moment surfaces for the CH4–Ar complex: Collision-induced intensity and dimer content
Authors: Kalugina Yulia N. , Lokshtanov Sergei E. , Cherepanov Victor N. , Vigasin Andrey A.
Published: February 2016

We present new three-dimensional potential energy surface (PES) and dipole moment surfaces (DMSs) for the CH4–Ar van der Waals system. Ab initio calculations of the PES and DMS were carried out using the closed-shell single- and double-excitation coupled cluster approach with non-iterative perturbative treatment of triple excitations. The augmented correlation-consistent aug-cc-pVXZ (X = D,T,Q) basis sets were employed, and the energies obtained were then extrapolated to the complete basis set limit. The dipole moment surface was obtained using aug-cc-pVTZ basis set augmented with mid-bond functions for better description of exchange interactions. The second mixed virial coefficient was calculated and compared to available experimental data. The equilibrium constant for true dimer formation was calculated using classical partition function based on the knowledge of ab initio PES. Temperature variations of the zeroth spectral moment of the rototranslational collision-induced band as well as its true dimer constituent were traced with the use of the Boltzmann-weighted squared induced dipole properly integrated over respective phase space domains. Height profiles for N2–N2, N2–H2, CH4–N2, (CH4)2, and CH4–Ar true bound dimers in Titan’s atmosphere were calculated with the use of reliable ab initio  PESs.
Improved thermoelectric performance of (Fe,Co)Sb3-type skutterudites from first-principles
Authors: Williamson Izaak , Her Logan Ju-Yee , Su Xianli , Yan Yonggao , Wong-Ng Winnie , Li Lan
Published: February 2016

Skutterudite materials have been considered as promising thermoelectric candidates due to intrinsically good electrical conductivity and tailorable thermal conductivity. Options for improving thermal-to-electrical conversion efficiency include identifying novel materials, adding filler atoms, and substitutional dopants. Incorporating filler or substitutional dopant atoms in the skutterudite compounds can enhance phonon scattering, resulting in reduction of thermal conductivity, as well as improving electrical conductivity. The structures, electronic properties, and thermal properties of double-filled Ca0.5Ce0.5Fe4Sb12 and Co4Sb12−2xTexGex compounds (x = 0, 0.5, 1, 2, 3, and 6) have been studied using density functional theory-based calculations. Both Ca/Ce filler atoms in FeSb3 and Te/Ge substitution in CoSb3 cause a decrease in lattice constant for the compounds. As Te/Ge substitution concentration increases, lattice constant decreases and structural distortion of pnictogen rings in the compounds occurs. This indicates a break in cubic symmetry of the structure. The presence of fillers and substitutions cause an increase in electrical conductivity and a gradual decrease in electronic band gap. A transition from direct to indirect band-gap semiconducting behavior is found at x = 3. Phonon density of states for both compounds indicate phonon band broadening by the incorporation of fillers and substitutional atoms. Both systems are also assumed to have acoustic-mode-dominated lattice thermal conductivity. For the Co4Sb12−2xTexGex compounds, x = 3 has the lowest phonon dispersion gradient and lattice thermal conductivity, agreeing well with experimental measurements. Our results exhibit the improvement of thermoelectric properties of skutterudite compounds through fillers and substitutional doping.
Surface tension of the two center Lennard-Jones plus point dipole fluid
Authors: Werth Stephan , Horsch Martin , Hasse Hans
Published: February 2016

Molecular dynamics simulations are used for systematically studying the surface tension of the two center Lennard-Jones plus point dipole (2CLJD) model fluid. In a dimensionless representation, this model fluid has two parameters describing the elongation and the dipole moment. These parameters were varied in the entire range relevant for describing real fluids resulting in a grid of 38 individual models. For each model, the surface tension was determined at temperatures between 60% and 90% of the critical temperature. For completeness, the vapor pressure and the saturated densities were also determined. The latter results agree well with the literature data, whereas for the surface tension, only few data were previously available. From the present results, an empirical correlation for the surface tension of the 2CLJD model as a function of the model parameters is developed. The correlation is used to predict the surface tension of 46 2CLJD molecular models from the literature, which were adjusted to bulk properties, but not to interfacial properties. The results are compared to the experimental data. The molecular models overestimate the surface tension, and deviations between the predictions and experimental data are below 12% on average.
Electronic spectrum of non-tetrahedral acceptors in CdTe:Cl and CdTe:Bi,Cl single crystals
Authors: Krivobok V. S. , Nikolaev S. N. , Bagaev V. S. , Pruchkina A. A. , Onishchenko E. E. , Kolosov S. A. , Klevkov Yu. V. , Skorikov M. L.
Published: February 2016

The electronic spectra of complex acceptors in compensated CdTe:Cl, CdTe:Ag,Cl, and CdTe:Bi,Cl single crystals are studied using low-temperature photoluminescence (PL) measurements under both nonresonant and resonant excitation of distant donor–acceptor pairs (DAP). The wavelength modulation of the excitation source combined with the analysis of the differential PL signal is used to enhance narrow spectral features obscured because of inhomogeneous line broadening and/or excitation transfer for selectively excited DAPs. For the well-known tetrahedral (TD) AgCd acceptor, the energies of four excited states are measured, and the values obtained are shown to be in perfect agreement with the previous data. Moreover, splitting between the 2P3/2 (Г8) and 2S3/2 (Г8) states is clearly observed for AgCd centers located at a short distance (5–7 nm) from a hydrogen-like donor (ClTe). This splitting results from the reduction of the TD symmetry taking place when the acceptor is a member of a donor–acceptor pair. For the Cl-related complex acceptor with an activation energy of ∼121 meV (A-center), the energies of eight excited states are measured. It is shown that this defect produces low-symmetry central-cell correction responsible for the strong splitting of S-like TD shells. The energy spectrum of the Bi-related shallow acceptor with an activation energy of ∼36 meV is measured as well. The spectrum obtained differs drastically from the hydrogen-like set of levels, which indicates the existence of repulsive low-symmetry perturbation of the hydrogen-like Coulomb potential. It is also shown that the spectra of selectively excited PL recorded for a macroscopic ensemble of distant donor–acceptor pairs allow one to detect the low symmetry of acceptors of a given type caused by their complex nature or by the Jahn–Teller distortion. This method does not require any additional (external) field and is applicable to acceptors in diverse zinc-blende compound semiconductors.
Lower bounds of potential blow-up solutions of the three-dimensional Navier-Stokes equations in Ḣ32
Authors: Cheskidov Alexey , Zaya Karen
Published: February 2016

We improve previous known lower bounds for Sobolev norms of potential blow-up solutions to the three-dimensional Navier-Stokes equations in Ḣ3/2.
Selection of lasing direction in single mode semiconductor square ring cavities
Authors: Lee Jin-Woong , Kim Kyoung-Youm , Moon Hee-Jong , Hyun Kyung-Sook
Published: February 2016

We propose and demonstrate a selection scheme of lasing direction by imposing a loss imbalance structure into the single mode square ring cavity. The control of the traveling direction is realized by introducing a taper-step section in one of the straight waveguides of the square ring cavity. It was shown by semi-analytic calculation that the taper-step section in the cavity provides effective loss imbalance between two travelling directions as the round trip repeats. Various kinds of square cavities were fabricated using InGaAsP/InGaAs multiple quantum well semiconductor materials in order to test the direction selectivity while maintaining the single mode. We also measured the pump power dependent lasing spectra to investigate the maintenance property of the lasing direction. The experimental results demonstrated that the proposed scheme is an efficient means for a unidirectional lasing in a single mode laser.
Weak antilocalization and universal conductance fluctuations in bismuth telluro-sulfide topological insulators
Authors: Trivedi Tanuj , Sonde Sushant , Movva Hema C. P. , Banerjee Sanjay K.
Published: February 2016

We report on van der Waals epitaxial growth, materials characterization, and magnetotransport experiments in crystalline nanosheets of Bismuth Telluro-Sulfide (BTS). Highly layered, good-quality crystalline nanosheets of BTS are obtained on SiO2 and muscovite mica. Weak-antilocalization (WAL), electron-electron interaction-driven insulating ground state and universal conductance fluctuations are observed in magnetotransport experiments on BTS devices. Temperature, thickness, and magnetic field dependence of the transport data indicate the presence of two-dimensional surface states along with bulk conduction, in agreement with theoretical models. An extended-WAL model is proposed and utilized in conjunction with a two-channel conduction model to analyze the data, revealing a surface component and evidence of multiple conducting channels. A facile growth method and detailed magnetotransport results indicating BTS as an alternative topological insulator material system are presented.
Ab-initio simulations of higher Miller index Si:SiO2 interfaces for fin field effect transistor and nanowire transistors
Authors: Li Hongfei , Guo Yuzheng , Robertson John , Okuno Y.
Published: February 2016

Models of three representative higher Miller index interfaces, Si(310):SiO2, Si(410):SiO2, and Si(331):SiO2, have been built by an ab-initio molecular dynamics method. We show that each interface can be made as a fully bonded network without any defects and has a reasonable electronic structure for use in fin field effect transistors or gate-all-around nanowire devices. The differences in numbers of oxygen bridges are attributed to the intermediate sub-oxide components and the atomic step structure. The interface bonding schemes to passivate different densities of dangling bonds on different facets are also analyzed.
Femtogram scale nanomechanical resonators embedded in a double-slot photonic crystal nanobeam cavity
Authors: Zhang He , Zeng Cheng , Chen Daigao , Li Miaofeng , Wang Yi , Huang Qingzhong , Xiao Xi , Xia Jinsong
Published: February 2016

An optomechanical device that contains a nanomechanical resonator with an ultralow effective mass of 6.42 fg is designed and demonstrated. The femtogram scale nanomechanical resonator is embedded in a double-slot photonic crystal nanobeam cavity. Optical resonance provides efficient readout of the nanomechanical resonator movements. The fabricated device is optically and mechanically characterized in atmosphere. In the measured radio-frequency power spectral density, a peak at 3.928 GHz is identified to be the mechanical mode with an effective mass of 6.42 fg. The measured room-temperature mechanical Q-factor is 1255, and a displacement sensitivity of 0.13 fm/Hz, which is 22 times beyond the standard quantum limit, is obtained. These demonstrated on-chip integrated optomechanical devices combining high Q-factor optical cavities and nanomechanical resonators with ultralow effective masses are promising in ultrasensitive measurements.
Reverse degradation of nickel graphene junction by hydrogen annealing
Authors: Zhang Zhenjun , Yang Fan , Agnihotri Pratik , Lee Ji Ung , Lloyd J. R.
Published: February 2016

Metal contacts are fundamental building components for graphene based electronic devices and their properties are greatly influenced by interface quality during device fabrication, leading to resistance variation. Here we show that nickel graphene junction degrades after air exposure, due to interfacial oxidation, thus creating a tunneling barrier. Most importantly, we demonstrate that hydrogen annealing at moderate temperature (300 0C) is an effective technique to reverse the degradation.
Nitric oxide participates in waterlogging tolerance through enhanced adventitious root formation in the euhalophyte Suaeda salsa
Authors: Chen Tianshu , Yuan Fang , Song Jie , Wang Baoshan
Published: February 2016

The interactions of NO and other signalling molecules contribute to adventitious root formation in many plant species. To our knowledge, the role of NO in the adventitious root formation of plants subjected to waterlogging are as yet unknown. Populations of Suaeda salsa L., a C3 euhalophytic plant, from inland saline sites develop several adventitious roots in response to waterlogging. The NO donor sodium nitroprusside (SNP) and the NO scavenger 2-(4-carboxyphenyl)-4,4,5,5-tetramethyl-imidazoline-1–1-oxyl-3-oxide (cPTIO) were applied to S. salsa seedlings to examine the effects of NO on flooding tolerance and its possible mechanism. SNP alleviated growth inhibition and increased adventitious root formation, endogenous NO levels and adventitious root cell integrity in S. salsa subjected to waterlogging. These SNP-mediated effects were prevented by the extra application of cPTIO. SNP treatment decreased nitrate reductase activity but increased nitric oxide synthase (NOS) activity in adventitious roots. These results suggest that in S. salsa, NO participates in waterlogging tolerance by enhancing adventitious root formation and that NO generation is associated with the NOS-associated pathway.
Hybrid promiscuous (Hypr) GGDEF enzymes produce cyclic AMP-GMP (3′, 3′-cGAMP)
Authors: Hallberg Zachary F. , Wang Xin C. , Wright Todd A. , Nan Beiyan , Ad Omer , Yeo Jongchan , Hammond Ming C.
Published: February 2016

Significance

Cyclic di-GMP (cdiG) is an important bacterial signaling molecule because it regulates motility and affects surface colonization and biofilm formation. It has long been established that cdiG is made by GGDEF enzymes, which are named after five conserved amino acids in the catalytic domain. However, a major group of bacteria, proteobacteria, have a high abundance of these enzymes, which raises the possibility that some of these enzymes have alternate functions. This study details the discovery of GGDEF enzymes that can also make cyclic AMP-GMP (cAG), a recently identified signaling molecule that regulates surface sensing and attachment in pathogenic and environmental bacteria. This provides the first evidence to our knowledge that GGDEF enzymes can make alternative cyclic dinucleotides to cdiG and that cAG is more widespread in proteobacteria.
Strand-biased cytosine deamination at the replication fork causes cytosine to thymine mutations in
Escherichia coli
Authors: Bhagwat Ashok S. , Hao Weilong , Townes Jesse P. , Lee Heewook , Tang Haixu , Foster Patricia L.
Published: February 2016

Significance

C:G to T:A mutations constitute the largest class of spontaneous base substitutions in all organisms. These mutations are thought to be a result of cytosine deaminations, but what promotes these deaminations is unclear. We confirm here the hypothesis that they occur predominantly in single-stranded DNA (ssDNA) and identify the ssDNA in the lagging strand template as the preferred site of C:G to T:A mutations. As a consequence, replication creates a strand bias in these mutations, and this overwhelms any strand bias resulting from transcription. These results explain a long-recognized bias in base composition of microbial genomes called GC skew and predicts that C:G to T:A mutations created by the APOBEC3 family deaminases in cancer genomes should occur with the same strand bias.