bluuebunny/crossref_metadata_2025 huggingface dataset:
Multi-Pass Adaptive Voting for Nuclei Detection in Histopathological Images
Authors: Lu Cheng , Xu Hongming , Xu Jun , Gilmore Hannah , Mandal Mrinal , Madabhushi Anant
Published: October 2016

Nuclei detection is often a critical initial step in the development of computer aided diagnosis and prognosis schemes in the context of digital pathology images. While over the last few years, a number of nuclei detection methods have been proposed, most of these approaches make idealistic assumptions about the staining quality of the tissue. In this paper, we present a new Multi-Pass Adaptive Voting (MPAV) for nuclei detection which is specifically geared towards images with poor quality staining and noise on account of tissue preparation artifacts. The MPAV utilizes the symmetric property of nuclear boundary and adaptively selects gradient from edge fragments to perform voting for a potential nucleus location. The MPAV was evaluated in three cohorts with different staining methods: Hematoxylin & Eosin, CD31 & Hematoxylin, and Ki-67 and where most of the nuclei were unevenly and imprecisely stained. Across a total of 47 images and nearly 17,700 manually labeled nuclei serving as the ground truth, MPAV was able to achieve a superior performance, with an area under the precision-recall curve (AUC) of 0.73. Additionally, MPAV also outperformed three state-of-the-art nuclei detection methods, a single pass voting method, a multi-pass voting method, and a deep learning based method.
Dissecting the regulation rules of cancer-related miRNAs based on network analysis
Authors: Liu Zhongyu , Guo Yanzhi , Pu Xuemei , Li Menglong
Published: October 2016

miRNAs (microRNAs) are a set of endogenous and small non-coding RNAs which specifically induce degradation of target mRNAs or inhibit protein translation to control gene expression. Obviously, aberrant miRNA expression in human cells will lead to a serious of changes in protein-protein interaction network (PPIN), thus to activate or inactivate some pathways related to various diseases, especially carcinogenesis. In this study, we systematically constructed the miRNA-regulated co-expressed protein-protein interaction network (CePPIN) for 17 cancers firstly. We investigated the topological parameters and functional annotation for the proteins in CePPIN, especially for those miRNA targets. We found that targets regulated by more miRNAs tend to play a more important role in the forming process of cancers. We further elucidated the miRNA regulation rules in PPIN from a more systematical perspective. By GO and KEGG pathway analysis, miRNA targets are involved in various cellular processes mostly related to cell cycle, such as cell proliferation, growth, differentiation, etc. Through the Pfam classification, we found that miRNAs belonging to the same family tend to have targets from the same family which displays the synergistic function of these miRNAs. Finally, the case study on miR-519d and miR-21-regulated sub-network was performed to support our findings.
Characterization of Toxin Genes and Antimicrobial Susceptibility of Staphylococcus aureus Isolates in Fishery Products in Iran
Authors: Arfatahery Noushin , Davoodabadi Abolfazl , Abedimohtasab Taranehpeimaneh
Published: October 2016

Staphylococcus aureus is one of the most common causes of seafood-borne diseases worldwide, which are attributable to the contamination of food by preformed enterotoxins. In this study, a total of 206 (34.3%) Staphylococcus aureus strains were obtained from 600 fish and shrimp samples and were tested for their antimicrobial susceptibility. We assessed the prevalence of the genes responsible for the staphylococcal enterotoxins (SEA, SEB) and toxic shock syndrome toxin 1 (TSST-1) genes. The results indicated that 34% of aqua food samples were contaminated with S. aureus and 23.8% of these isolates were mec-A-positive. Sixty-four percent of the strains isolated from contaminated seafood was enterotoxigenic S. aureus and 28.2% of SEs were MRSA-positive. The most prevalent genotype was characterized by the presence of the sea gene (45.2%), followed by the seb gene (18.5%) and the tst gene encoding TSST-1 was found in eight strains (3.9%). Of the 206 S. aureus isolates, 189 strains (84.9%) were resistant to at least one antibiotic. Given the frequent outbreaks of enterotoxigenic MRSA, it is necessary to make revisions to mandatory programmes to facilitate improved hygiene practices during fishing, aquaculture, processing and sales to prevent the contamination of fishery products in Iran.
A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds
Authors: de Jong Maarten , Chen Wei , Notestine Randy , Persson Kristin , Ceder Gerbrand , Jain Anubhav , Asta Mark , Gamst Anthony
Published: October 2016

Materials scientists increasingly employ machine or statistical learning (SL) techniques to accelerate materials discovery and design. Such pursuits benefit from pooling training data across, and thus being able to generalize predictions over, k-nary compounds of diverse chemistries and structures. This work presents a SL framework that addresses challenges in materials science applications, where datasets are diverse but of modest size, and extreme values are often of interest. Our advances include the application of power or Hölder means to construct descriptors that generalize over chemistry and crystal structure, and the incorporation of multivariate local regression within a gradient boosting framework. The approach is demonstrated by developing SL models to predict bulk and shear moduli (K and G, respectively) for polycrystalline inorganic compounds, using 1,940 compounds from a growing database of calculated elastic moduli for metals, semiconductors and insulators. The usefulness of the models is illustrated by screening for superhard materials.
Improved affinity at the cost of decreased specificity: a recurring theme in PDZ-peptide interactions
Authors: Karlsson O. Andreas , Sundell Gustav N. , Andersson Eva , Ivarsson Ylva , Jemth Per
Published: October 2016

The E6 protein from human papillomavirus (HPV) plays an important role during productive infection and is a potential drug target. We have previously designed a high affinity bivalent protein binder for the E6 protein, a fusion between a helix from the E6 associated protein and PDZØ9, an engineered variant (L391F/K392M) of the second PDZ domain from synapse associated protein 97 (SAP97 PDZ2). How the substitutions improve the affinity of SAP97 PDZ2 for HPV E6 is not clear and it is not known to what extent they affect the specificity for cellular targets. Here, we explore the specificity of wild type SAP97 PDZ2 and PDZØ9 through proteomic peptide phage display. In addition, we employ a double mutant cycle of SAP97 PDZ2 in which the binding kinetics for nine identified potential cellular peptide ligands are measured and compared with those for the C-terminal E6 peptide. The results demonstrate that PDZØ9 has an increased affinity for all peptides, but at the cost of specificity. Furthermore, there is a peptide dependent coupling free energy between the side chains at positions 391 and 392. This corroborates our previous allosteric model for PDZ domains, involving sampling of intramolecular energetic pathways.
Ultrastable glasses portray similar behaviour to ordinary glasses at high pressure
Authors: Rodríguez-Tinoco C. , González-Silveira M. , Barrio M. , Lloveras P. , Tamarit J. Ll , Garden J.-L. , Rodríguez-Viejo J.
Published: October 2016

Pressure experiments provide a unique opportunity to unravel new insights into glass-forming liquids by exploring its effect on the dynamics of viscous liquids and on the evolution of the glass transition temperature. Here we compare the pressure dependence of the onset of devitrification, Ton, between two molecular glasses prepared from the same material but with extremely different ambient-pressure kinetic and thermodynamic stabilities. Our data clearly reveal that, while both glasses exhibit different dTon/dP values at low pressures, they evolve towards closer calorimetric devitrification temperature and pressure dependence as pressure increases. We tentatively interpret these results from the different densities of the starting materials at room temperature and pressure. Our data shows that at the probed pressures, the relaxation time of the glass into the supercooled liquid is determined by temperature and pressure similarly to the behaviour of liquids, but using stability-dependent parameters.
Correction: Corrigendum: The differential short- and long-term effects of HIV-1 latency-reversing agents on T cell function
Authors: Clutton G. , Xu Y. , Baldoni P. L. , Mollan K. R. , Kirchherr J. , Newhard W. , Cox Kara , Kuruc J. D. , Kashuba A. , Barnard R. , Archin N. , Gay C. L. , Hudgens M. G. , Margolis D. M. , Goonetilleke N.
Published: October 2016

Scientific Reports 6: Article number: 30749; published online: 02 August 2016; updated: 03 October 2016 The Acknowledgements section in this Article is incomplete. “We thank all the study participants. For technical assistance we thank Kuo Yang and members of the UNC Clinical Trials Unit, the UNC CFAR Immunology Core and the UNC Flow Cytometry Core Facility.
GDGT distribution in a stratified lake and implications for the application of TEX86 in paleoenvironmental reconstructions
Authors: Zhang Zhaohui , Smittenberg Rienk H. , Bradley Raymond S.
Published: October 2016

We investigated the relationship between distributions of GDGTs, GDGT-based proxies and environmental factors in a stratified lake in northwestern Norway. More than 90% of isoGDGTs were produced at the bottom of the oxycline, indicating a predominance of ammonia-oxidizing Group I.1a of Thaumarchaeota, supported by high crenarchaeol/caldarchaeol ratios. Dissolved oxygen content, rather than temperature, exercised a primary control on TEX86 values. In spite of low BIT value in surface sediment, the reconstructed lake surface temperature was “cold” biased. MBT values in streams and lake surface water were significantly smaller than those in the catchment soil, suggesting in situ production of brGDGTs in streams. A rapid transition of MBT vs. temperature/pH relationships occurring at the bottom of oxycline indicated the differential production of various brGDGTs with D.O. and depths. Only within the oxycline were CBT-based pH values close to in situ pH. Our results confirm earlier studies calling for caution in applying TEX86 as a surface temperature proxy, or MBT and/or CBT for reconstructing pH, in anoxic or euxinic lakes, estuaries and ocean basins. We propose that caldarchaeol/crenarchaeol ratio, an indicator of contributions from methanogenic archaea, together with the BIT and TEX86 proxies, can help reconstruct past levels of stratification.
The Growth Pattern of Tibetan Infants at High Altitudes: a Cohort Study in Rural Tibet region
Authors: Wang Weihua , Liu Feng , Zhang Zhicheng , Zhang Yi , Fan Xiaojing , Liu Ruru , Dang Shaonong
Published: October 2016

Studies on growth pattern of Tibetan infants and the difference from other child groups were limited due to its special living environment and unique customs. In this study, 253 Tibetan infants were followed-up from their birth to 12th month in rural Tibet. Five visits were conducted and weight and length were measured at each visit. Mixed model was employed to analyze the growth pattern of Tibetan infants and its comparison to the Han infants. Propensity Scores (PS) technique was adopted to control for the potential confounding factors. The mixed model found that the birth weight/length had a negative impact on the increment of Tibetan infants after birth (weight: β = −0.6819, P < 0.0001, length: β = −0.9571, P < 0.0001). The weight increment of Tibetan infants was greater than Han infant with age (βage*ethnic = 0.0345, P < 0.001), after using PS as a covariant. And another mixed model in which PS was used as a matching factor found similar trend. Compared with Chinese Han infants, Tibetan infants were lower weight and shorter length within one year after birth but they had greater increment of weight, suggesting that Tibetan infants might have a significant catch-up growth within the first year of life.
Tea polyphenols inhibit the activation of NF-κB and the secretion of cytokines and matrix metalloproteinases by macrophages stimulated with Fusobacterium nucleatum
Authors: Lagha Amel Ben , Grenier Daniel
Published: October 2016

Fusobacterium nucleatum has been associated with both periodontal disease and inflammatory bowel disease. This Gram-negative bacterium possesses a high inflammatory potential that may contribute to the disease process. We hypothesized that green and black tea polyphenols attenuate the inflammatory response of monocytes/macrophages mediated by F. nucleatum. We first showed that the tea extracts, EGCG and theaflavins reduce the NF-κB activation induced by F. nucleatum in monocytes. Since NF-κB is a key regulator of genes coding for inflammatory mediators, we tested the effects of tea polyphenols on secretion of IL-1β, IL-6, TNF-α and CXCL8 by macrophages. A pre-treatment of macrophages with the tea extracts, EGCG, or theaflavins prior to a stimulation with F. nucleatum significantly inhibited the secretion of all four cytokines and reduced the secretion of MMP-3 and MMP-9, two tissue destructive enzymes. TREM-1 expressed by macrophages is a cell-surface receptor involved in the propagation of the inflammatory response to bacterial challenges. Interestingly, tea polyphenols inhibited the secretion/shedding of soluble TREM-1 induced by a stimulation of macrophages with F. nucleatum. The anti-inflammatory properties of tea polyphenols identified in the present study suggested that they may be promising agents for the prevention and/or treatment of periodontal disease and inflammatory bowel disease.
Site-specific identification of heparan and chondroitin sulfate glycosaminoglycans in hybrid proteoglycans
Authors: Noborn Fredrik , Gomez Toledo Alejandro , Green Anders , Nasir Waqas , Sihlbom Carina , Nilsson Jonas , Larson Göran
Published: October 2016

Heparan sulfate (HS) and chondroitin sulfate (CS) are complex polysaccharides that regulate important biological pathways in virtually all metazoan organisms. The polysaccharides often display opposite effects on cell functions with HS and CS structural motifs presenting unique binding sites for specific ligands. Still, the mechanisms by which glycan biosynthesis generates complex HS and CS polysaccharides required for the regulation of mammalian physiology remain elusive. Here we present a glycoproteomic approach that identifies and differentiates between HS and CS attachment sites and provides identity to the core proteins. Glycopeptides were prepared from perlecan, a complex proteoglycan known to be substituted with both HS and CS chains, further digested with heparinase or chondroitinase ABC to reduce the HS and CS chain lengths respectively and thereafter analyzed by nLC-MS/MS. This protocol enabled the identification of three consensus HS sites and one hybrid site, carrying either a HS or a CS chain. Inspection of the amino acid sequence at the hybrid attachment locus indicates that certain peptide motifs may encode for the chain type selection process. This analytical approach will become useful when addressing fundamental questions in basic biology specifically in elucidating the functional roles of site-specific glycosylations of proteoglycans.
Methyl-CpG binding domain protein acts to regulate the repair of cyclobutane pyrimidine dimers on rice DNA
Authors: Fang Changxun , Chen Weisi , Li Chengxun , Jian Xin , Li Yingzhe , Lin Hongmei , Lin Wenxiong
Published: October 2016

UVB radiation causes cyclobutane pyrimidine dimers (CPDs) to form on the DNA of living organisms. This study found that overexpression of the silicon absorbance gene Lsi1 reduced the accumulation of CPDs in rice, which profited from the reactivation by photolyase. The transcript abundance of deoxyribodipyrimidine photolyase (Os10g0167600) was generally correlated with the silicon content of the rice, and the up-regulation of Os10g0167600 was found to be highest in the UVB-treated Lsi1-overexpressed (Lsi1-OX) rice. A trans-acting factor, methyl-CpG binding domain protein (OsMeCP), was found to interact with the cis-element of Os10g0167600. The nucleic location of OsMeCP effectively enabled the transcriptional regulation. Compared with the WT, the level of OsMeCP was lower in the Lsi1-OX rice but higher in the Lsi1-RNAi line. Rice cultured in a high silicate-concentration solution also exhibited less OsMeCP abundance. Overexpression of OsMeCP led to lower Os10g0167600 transcript levels and a higher CPD content than in the WT, but the reverse was true in the OsMeCP-RNAi line. These findings indicate that OsMeCP acts as a negative regulator of silicon, and can mediate the repression of the transcription from Os10g0167600, which inhibits the photoreactivation of the photolyase involved in the repair of CPDs.
Regionalization of Habitat Suitability of Masson’s Pine based on geographic information system and Fuzzy Matter-Element Model
Authors: Zhou Xiuteng , Zhao Manxi , Zhou Liangyun , Yang Guang , Huang Luqi , Yan Cuiqi , Huang Quanshu , Ye Liang , Zhang Xiaobo , Guo Lanpin , Ke Xiao , Guo Jiao
Published: October 2016

Pine needles have been widely used in the development of anti-hypertensive and anti-hyperlipidemic agents and health food. However, the widespread distribution of this tree poses great obstacles to the quality control and efficacy evaluation. To facilitate the effective and rational exploitation of Masson’s pine (Pinus massoniana Lamb), as well as ensure effective development of Masson’s pine needles as a medicinal agent, we investigated the spatial distribution of habitat suitability and evaluated the optimal ranges of ecological factors of P. massoniana with 280 samples collected from 12 provinces in China through the evaluation of four constituents known to be effective medicinally. The results of habitat suitability evaluation were also verified by Root Mean Square Error (RMSE). Finally, five ecological factors were chosen in the establishment of a habitat suitability evaluation system. The most suitable areas for P. massoniana growth were mainly concentrated in the middle and lower reaches of the Yangtze River basin, such as Sichuan, Guizhou, and Jiangxi provinces, while the best quality needles were from Guizhou, Sichuan, and the junction area of Chongqing, Hunan, and Hubei provinces. This information revealed that suitable areas for effective constituent accumulation of Masson’s pine needles accounted for only 7.41% of its distribution area.
Coral recovery in the central Maldives archipelago since the last major mass-bleaching, in 1998
Authors: Pisapia C. , Burn D. , Yoosuf R. , Najeeb A. , Anderson K. D. , Pratchett M. S.
Published: October 2016

Increasing frequency and severity of disturbances is causing global degradation of coral reef ecosystems. This study examined temporal changes in live coral cover and coral composition in the central Maldives from 1997 to 2016, encompassing two bleaching events, a tsunami, and an outbreak of Acanthaster planci. We also examined the contemporary size structure for five dominant coral taxa (tabular Acropora, Acropora muricata, Acropora humilis, Pocillopora spp, and massive Porites). Total coral cover increased throughout the study period, with marked increases following the 1998 mass-bleaching. The relative abundance of key genera has changed through time, where Acropora and Pocillopora (which are highly susceptible to bleaching) were under-represented following 1998 mass-bleaching but increased until outbreaks of A. planci in 2015. The contemporary size-structure for all coral taxa was dominated by larger colonies with peaked distributions suggesting that recent disturbances had a disproportionate impact on smaller colonies, or that recruitment is currently limited. This may suggest that coral resilience has been compromised by recent disturbances, and further bleaching (expected in 2016) could lead to highly protracted recovery times. We showed that Maldivian reefs recovered following the 1998 mass-bleaching event, but it took up to a decade, and ongoing disturbances may be eroding reef resilience.
Quantifying the dilution of the radiocesium contamination in Fukushima coastal river sediment (2011–2015)
Authors: Evrard Olivier , Laceby J. Patrick , Onda Yuichi , Wakiyama Yoshifumi , Jaegler Hugo , Lefèvre Irène
Published: October 2016

Fallout from the Fukushima Dai-ichi nuclear power plant accident resulted in a 3000-km2 radioactive contamination plume. Here, we model the progressive dilution of the radiocesium contamination in 327 sediment samples from two neighboring catchments with different timing of soil decontamination. Overall, we demonstrate that there has been a ~90% decrease of the contribution of upstream contaminated soils to sediment transiting the coastal plains between 2012 (median – M – contribution of 73%, mean absolute deviation – MAD – of 27%) and 2015 (M 9%, MAD 6%). The occurrence of typhoons and the progress of decontamination in different tributaries of the Niida River resulted in temporary increases in local contamination. However, the much lower contribution of upstream contaminated soils to coastal plain sediment in November 2015 demonstrates that the source of the easily erodible, contaminated material has potentially been removed by decontamination, diluted by subsoils, or eroded and transported to the Pacific Ocean.
Rapid infrared mapping for highly accurate automated histology in Barrett's oesophagus
Authors: Old O. J. , Lloyd G. R. , Nallala J. , Isabelle M. , Almond L. M. , Shepherd N. A. , Kendall C. A. , Shore A. C. , Barr H. , Stone N.
Published: October 2016

Barrett's oesophagus (BE) is a premalignant condition that can progress to oesophageal adenocarcinoma. Fourier transform infrared (FTIR) mapping can be used to identify neoplastic Barrett's with high accuracy in a clinically applicable timeframe.
Olive oil density characterization through microfluidic detection using acoustic signatures (MIDAS)
Authors: McIntosh C. , Sherman S. , Napoli M. T. , Turner K. , Bamieh B. , Pennathur S.
Published: October 2016

MIDAS – microfluidic detection using acoustic signatures, uses ultrasound detection within a microfluidic platform to identify adulteration in olive oils.
Characterisation of matrix-based polyatomic interference formation in laser ablation-inductively coupled plasma-mass spectrometry using dried micro-droplet ablation and its relevance for bioimaging
Authors: Hare Dominic J. , Fryer Fred , Paul Bence , Bishop David P. , Doble Philip A.
Published: October 2016

Dried micro-droplets were used to characterise the formation of polyatomic interferences by LA-ICP-MS.
Atomic and molecular layer deposition: off the beaten track
Authors: Van Bui H. , Grillo F. , van Ommen J. R.
Published: October 2016

ALD archetype and deviations from it.
Functionalized carbon nanotubes and graphene-based materials for energy storage
Authors: Wang Bin , Hu Chuangang , Dai Liming
Published: October 2016

This feature article summarizes recent progress in the functionalization of carbon nanotubes and graphene for energy storage applications in supercapacitors and batteries.
Photochemical site-selective synthesis of [70]methanofullerenes
Authors: Vidal Sara , Izquierdo Marta , Law Wai Kit , Jiang Kui , Filippone Salvatore , Perles Josefina , Yan He , Martín Nazario
Published: October 2016

Methanofullerenes such as the well-known [70]PCBM are commonly synthesized under harsh conditions to obtain the product as a mixture of site-isomers (namely α, β and minor γ) due to the D5h symmetry of the C70 cage. α-[70]siteisomers are selectively prepared under light and mild conditions with minor or negligible β-[70]siteisomers formation.
Simultaneous fluorescence visualization of mitochondrial hydrogen peroxide and zinc ions in live cells and in vivo
Authors: Xiao Haibin , Li Ping , Zhang Shan , Zhang Wei , Zhang Wen , Tang Bo
Published: October 2016

We have developed two new fluorescent probes termedM-H2O2andM-Znfor simultaneous imaging of hydrogen peroxide and zinc ions in mitochondria.
Correction: Fluorogenic bidirectional displacement probe-based real-time isothermal DNA amplification and specific visual detection of products
Authors: Ding Xiong , Wang Guoping , Sun Jingjing , Zhang Tao , Mu Ying
Published: October 2016

Correction for ‘Fluorogenic bidirectional displacement probe-based real-time isothermal DNA amplification and specific visual detection of products’ by Xiong Ding et al., Chem. Commun., 2016, 52, 11438–11441.
A detailed Raman and X-ray study of UO2+x oxides and related structure transitions
Authors: Elorrieta J. M. , Bonales L. J. , Rodríguez-Villagra N. , Baonza V. G. , Cobos J.
Published: October 2016

Quantitative analysis of hyperstoichiometric UO2+x oxides by means of Raman and X-ray diffraction techniques.
Rapid prototyping of electrolyzer flow field plates
Authors: Hudkins Jesse R. , Wheeler Danika G. , Peña Bruno , Berlinguette Curtis P.
Published: October 2016

Electroplated 3D printed flow field plates are demonstrated for the electrolysis of water to hydrogen fuels.
Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases
Authors: Martínez-Montero Lía , Gotor Vicente , Gotor-Fernández Vicente , Lavandera Iván
Published: October 2016

A one-pot/two-step chemoenzymatic sequential methodology has been developed for the selective amination of secondary alcohols by combining the laccase from Trametes versicolor/TEMPO catalytic system with the stereoselective action of transaminases.
Q-SA√ESS: a methodology to help solvent selection for pharmaceutical manufacture at the early process development stage
Authors: Isoni Valerio , Wong Loretta L. , Khoo Hsien H. , Halim Iskandar , Sharratt Paul
Published: October 2016

A practicable, LCA based methodology has been developed to evaluate the sustainability implications of solvent selection during early process development for a batch manufacturing process for an API.
Modulation of collective cell behaviour by geometrical constraints
Authors: Lunova Mariia , Zablotskii Vitalii , Dempsey Nora M. , Devillers Thibaut , Jirsa Milan , Syková Eva , Kubinová Šárka , Lunov Oleg , Dejneka Alexandr
Published: October 2016

During tissue development and growth, cell colonies may exhibit a wide variety of exquisite spatial and temporal patterns. We demonstrated that the geometrical confinement caused by topographically patterned substrates modulates cell and nuclear morphology and collective cellular behavior.
Advantages of poly(vinyl phosphonic acid)-based double hydrophilic block copolymers for the stabilization of iron oxide nanoparticles
Authors: Markiewicz K. H. , Seiler L. , Misztalewska I. , Winkler K. , Harrisson S. , Wilczewska A. Z. , Destarac M. , Marty J.-D.
Published: October 2016

Poly(ethylene glycol)–poly(vinylphosphonic acid) double hydrophilic block copolymers were synthesized by RAFT/MADIX polymerization and used to prepare stable iron oxide nanoparticles.
Circularly polarized luminescence reveals interaction between commercial stains and protein matrices used in paintings
Authors: Orsini Sibilla , Zinna Francesco , Biver Tarita , Di Bari Lorenzo , Bonaduce Ilaria
Published: October 2016

Here we show that circularly polarized luminescence (CPL) can give unique insight into interactions between fluorescent commercial stains and protein-based materials used in painting. CPL can complement information from ECD and fluorescence.
Effect of surface free energy and wettability on the adhesion property of waterborne polyurethane adhesive
Authors: Bao Liang , Fan Haojun , Chen Yi , Yan Jun , Yang Tao , Guo Yuliang
Published: October 2016

Relationships among key adhesion parameters (surface free energy, spreading coefficient, and adhesion property) of WPU adhesives on shoe substrates.
Reactive adsorption of low concentration methyl mercaptan on a Cu-based MOF with controllable size and shape
Authors: Ma Xiang , Liu Haidi , Li Weiman , Peng Shengpan , Chen Yunfa
Published: October 2016

Low concentration CH3SH adsorption by MOF-199 with controllable size and shape.
Thionation of di and tripeptides employing thiourea as a sulphur transfer reagent
Authors: Panduranga Veladi , Prabhu Girish , Kumar L. Roopesh , Krishnamurthy Muniyappa , Sureshbabu Vommina V.
Published: October 2016

Thiopeptides have been prepared by thionation employing DMF/PCl5 and thiourea as a sulphur transfer reagent. The protocol was also successfully used for the thionation of two peptide bonds, amino acid derived arylamides.
Synergistic effects of filler-migration and moisture on the surface structure of polyamide 6 composites under an electric field
Authors: Zhou Qi , Zhang Jingjing , Wang Yuanyu , Wang Weidong , Yao Shunying , Cong Yang , Fang Jianghua
Published: October 2016

Polyamide 6 (PA6) and PA6 composites with 2 wt% of nanofillers (aminopropyl isobutyl POSS (AB-POSS) or polymer grade montmorillonite (PGN)) were synthesized by electric assisted phase inversion at different moistures.
DFT study on the quenching mechanism of singlet oxygen by lycopene
Authors: Zhang Yingyuan , Liu Yi , Lv Qingzhang
Published: October 2016

The quenching mechanism of singlet oxygen by lycopene is analyzed based on DFT calculations at the B3LYP/6-311+(d,p) level.
Electrochemical determination of 2,4-dichlorophenol at β-cyclodextrin functionalized ionic liquid modified chemical sensor: voltammetric and amperometric studies
Authors: Mohd Rasdi Fairuz Liyana , Mohamad Sharifah , Abdul Manan Ninie Suhana , Nodeh Hamid Rashidi
Published: October 2016

A highly effective approach was developed for the specific detection of 2,4-dichlorophenol (2,4-DCP) in real samples, based on a cyclodextrin functionalized ionic liquid modified carbon paste electrode (β-CD-BIMOTs/CPE).
Tuning porous nanostructures of MnCo2O4for application in supercapacitors and catalysis
Authors: Akhtar Md. Aqueel , Sharma Vikas , Biswas Sudipta , Chandra Amreesh
Published: October 2016

A scalable and facile synthesis of MnCo2O4hierarchical microstructures for applications in supercapacitors and reduction catalysis.
From diffusive to ballistic Stefan–Boltzmann heat transport in thin non-crystalline films
Authors: Makris A. , Haeger T. , Heiderhoff R. , Riedl T.
Published: October 2016

Today, different theoretical models exist to describe heat transport in ultra-thin films with a thickness approaching the phonon mean free path length.
Investigation of a sensing approach based on a rapid reduction of azide to selectively measure bioavailability of H2S
Authors: Kim Gunwoo , Jang Eunju , Page Alexis M. , Ding Ting , Carlson Kimberly A. , Cao Haishi
Published: October 2016

An azide appended 2,3-naphtahlimide (AHS) is functionalized as a fluorescence approach for quantitative detection of H2S in the range of 0–100 μM. In the presence of H2S, AHS displayed a 17-fold fluorescence enhancement that showed a highly linear correlation with H2S level.
A highly active non-precious metal catalyst based on Fe–N–C@CNTs for nitroarene reduction
Authors: Chen Jian , Yao Yi , Zhao Jiao , Zhao Yaopeng , Zheng Yuanyuan , Li Mingrun , Yang Qihua
Published: October 2016

An efficient Fe–N–C@CNTs for the hydrogenation of nitroarenes was prepared. ε-Fe3N is the active site and nitrogen/carbon atoms serve as bridges to transport the dissociated hydrogen atoms via spillover effect.
A unique 3D ultramicroporous triptycene-based polyimide framework for efficient gas sorption applications
Authors: Ghanem Bader , Belmabkhout Youssef , Wang Yingge , Zhao Yunfeng , Han Yu , Eddaoudi Mohamed , Pinnau Ingo
Published: October 2016

A novel 3D ultramicroporous triptycene-based polyimide framework with high surface area (1050 m2 g−1) and high CO2 sorption capacity (3.4 mmol g−1 at 273 K and 1 bar), good CO2/N2 (45) and CO2/CH4 (9.6) selectivity was synthesized and characterized.
Solvent-free fabrication of multi-walled carbon nanotube based flexible pressure sensors for ultra-sensitive touch pad and electronic skin applications
Authors: Sahatiya Parikshit , Badhulika Sushmee
Published: October 2016

Schematic of the MWCNTs based ultrasensitive touch pad by novel rolling pin and pre-compaction mechanical pressing and its applicability as a user interface in modern electronic devices.
Copper-catalyzed [3 + 2] cycloaddition reactions: synthesis of substituted pyrazolo[1,5-c]quinazolines with N-iminoquinazolinium ylides and olefins as starting materials
Authors: Feng Haiyan , Wang Tao , Chen Songtao , Huang Yangfei , Yu Weijie , Huang Yuanyuan , Xiong Fei
Published: October 2016

Pyrazolo[1,5-c]quinazoline derivatives were efficiently synthesized via cycloaddition reaction between N-iminoquinazolinium ylides and olefins in moderate to good yield.
Effect of fuel content on luminescence and antibacterial properties of zinc oxide nanocrystalline powders synthesized by the combustion method
Authors: Pathak Trilok K. , Kumar Ashwini , Swart C. W. , Swart H. C. , Kroon R. E.
Published: October 2016

Nanoscale ZnO powders were synthesized via the combustion method using zinc nitrate hexahydrate as the source (oxidant) material and urea, and glycine or citric acid monohydrate as fuels.
A multiple length scale description of the mechanism of elastomer stretching
Authors: Neuefeind J. , Skov A. L. , Daniels J. E. , Honkimäki V. , Jakobsen B. , Oddershede J. , Poulsen H. F.
Published: October 2016

Conventionally, the stretching of rubber is modeled exclusively by rotations of segments of the embedded polymer chains; i.e. changes in entropy.
Correction: CO2 decomposition in a packed DBD plasma reactor: influence of packing materials
Authors: Ray Debjyoti , Subrahmanyam Ch.
Published: October 2016

Correction for ‘CO2 decomposition in a packed DBD plasma reactor: influence of packing materials’ by Debjyoti Ray et al., RSC Adv., 2016, 6, 39492–39499.
Plasmon-enhanced Raman spectroscopic metrics for in situ quantitative and dynamic assays of cell apoptosis and necrosis
Authors: Kang Bin , Li Shan-Shan , Guan Qi-Yuan , Chen Ai-Ping , Zhang Pan-Ke , Zhang Li-Bin , Wei Ji-Wu , Xu Jing-Juan , Chen Hong-Yuan
Published: October 2016

Plasmon-enhanced Raman spectroscopic metrics were developed for in situ quantitative and dynamic assays of viable, apoptotic and necrotic cells.
Biohybrid architectures for efficient light-to-current conversion based on photosystem I within scalable 3D mesoporous electrodes
Authors: Stieger K. R. , Feifel S. C. , Lokstein H. , Hejazi M. , Zouni A. , Lisdat F.
Published: October 2016

A 3D inverse-opal mesoporous scalable electrode utilizing photosystem I with high efficiency for photocurrent generation and providing insights into protein-surface electrochemistry.
Synthesis and photoluminescence properties of a phase pure green-emitting Eu doped JEM sialon (LaSi6−zAl1+zN10−zOz, z ∼ 1) phosphor with a large red-shift of emission and unusual thermal quenching behavior
Authors: Wang Chun-Yun , Takeda Takashi , ten Kate Otmar Melvin , Xie Rong-Jun , Takahashi Kohsei , Hirosaki Naoto
Published: October 2016

Photoluminescence properties of a JEM:Eu2+phosphor with a large red-shift of emission (a) and unusual thermal quenching behavior (b).
Synthesis of hybrid nanowires comprising uniaxial and coaxial InGaN/GaN MQWs with a nano-cap
Authors: Park Ji-Hyeon , Chatterjee Uddipta , Kang San , Lee Kwanjae , Kim Jin-Soo , Lee Cheul-Ro
Published: October 2016

We propose a novel hybrid nanostructure which comprises both uniaxial and coaxial multi-quantum wells (MQWs) on nanowires topped with an InGaN nano-cap.
Photoinduced triple shape memory polyurethane enabled by doping with azobenzene and GO
Authors: Zhou Liming , Liu Qiang , Lv Xuande , Gao Lijun , Fang Shaoming , Yu Haifeng
Published: October 2016

A polymer-dispersed azobenzene and GO nanocomposite film was fabricated with shape memory polyurethane as a matrix.
Converting an intensity-based sensor to a ratiometric sensor: luminescence colour switching of an Ir/Eu dyad upon binding of a V-series chemical warfare agent simulant
Authors: Metherell Alexander J. , Curty Christophe , Zaugg Andreas , Saad Suad T. , Dennison Genevieve H. , Ward Michael D.
Published: October 2016

A dual-luminescent Ir(iii)–Eu(iii) sensor is reported which changes luminescence colour from red to blue in the presence of a chemical warfare agent simulant.
Improvement of affine iterative closest point algorithm for partial registration
Authors: Dong Jianmin , Cai Zhongmin , Du Shaoyi
Published: October 2016

In this study, partial registration problem with outliers and missing data in the affine case is discussed. To solve this problem, a novel objective function is proposed based on bidirectional distance and trimmed strategy, and then a new affine trimmed iterative closest point algorithm is given. First, when bidirectional distance measurement is applied, the ill‐posed partial registration problem in the affine case is prevented. Second, the overlapping percentage is solved by using trimmed strategy which uses as many correct overlapping points as possible. The authors’ method computes the affine transformation, correspondence and overlapping percentage automatically at each iterative step. In this way, it handles partially overlapping registration with outliers and missing data in the affine case well. Experimental results demonstrate that their method is more robust and precise than the state‐of‐the‐art algorithms. It also has good convergence and similar running time with traditional algorithms.
VIMOS Ultra-Deep Survey (VUDS): IGM transmission towards galaxies with 2.5 < z < 5.5 and the colour selection of high-redshift galaxies
Authors: Thomas R. , Le Fèvre O. , Le Brun V. , Cassata P. , Garilli B. , Lemaux B. C. , Maccagni D. , Pentericci L. , Tasca L. A. M. , Zamorani G. , Zucca E. , Amorin R. , Bardelli S. , Cassarà L. , Castellano M. , Cimatti A. , Cucciati O. , Durkalec A. , Fontana A. , Giavalisco M. , Grazian A. , Hathi N. P. , Ilbert O. , Paltani S. , Pforr J. , Ribeiro B. , Schaerer D. , Scodeggio M. , Sommariva V. , Talia M. , Tresse L. , Vanzella E. , Vergani D. , Capak P. , Charlot S. , Contini T. , Cuby J. G. , de la Torre S. , Dunlop J. , Fotopoulou S. , Koekemoer A. , López-Sanjuan C. , Mellier Y. , Salvato M. , Scoville N. , Taniguchi Y. , Wang P. W.
Published: October 2016

The observed UV rest-frame spectra of distant galaxies are the result of their intrinsic emission combined with absorption along the line of sight produced by the inter-galactic medium (IGM). Here we analyse the evolution of the mean IGM transmission Tr(Lyα) and its dispersion along the line of sight for 2127 galaxies with 2.5 < z < 5.5 in the VIMOS Ultra Deep Survey (VUDS). We fitted model spectra combined with a range of IGM transmission to the galaxy spectra using the spectral fitting algorithm GOSSIP+. We used these fits to derive the mean IGM transmission towards each galaxy for several redshift slices from z = 2.5 to z = 5.5. We found that the mean IGM transmission defined as Tr(Lyα) = e− τ (with τ as the HI optical depth) is 79%, 69%, 59%, 55%, and 46% at redshifts 2.75, 3.22, 3.70, 4.23, and 4.77, respectively. We compared these results to measurements obtained from quasar lines of sight and found that the IGM transmission towards galaxies is in excellent agreement with quasar values up to redshift z ~ 4. We found tentative evidence for a higher IGM transmission at z ≥ 4 compared to results from QSOs, but a degeneracy between dust extinction and IGM prevents us from firmly concluding whether the internal dust extinction for star-forming galaxies at z > 4 takes a mean value significantly in excess of E(B−V) > 0.15. Most importantly, we found a large dispersion of IGM transmission along the lines of sight towards distant galaxies with 68% of the distribution within 10 to 17% of the median value in δz = 0.5 bins, similar to what is found on the lines of sight towards QSOs. We demonstrate that taking this broad range of IGM transmission into account is important when selecting high-redshift galaxies based on their colour properties (e.g. LBG or photometric redshiftselection) because failing to do so causes a significant incompleteness in selecting high-redshift galaxy populations. We finally discuss the observed IGM properties and speculate that the broad range of observed transmissions might be the result of cosmic variance and clustering along lines of sight. This clearly shows that the sources that cause this extinction need to be more completely modelled.
Infrared absorption of 1-chloro-2-methyl-2-propyl [⋅C(CH3)2CH2Cl] and 2-chloro-2-methylpropyl [⋅CH2C(CH3)2Cl] radicals produced in the addition reactions of Cl with isobutene (i-C4H8) in solid para-hydrogen
Authors: Chou Ching-Yin , Lee Yuan-Pern
Published: October 2016

The addition reactions of chlorine atom with isobutene (i-C4H8) in solid para-hydrogen (p-H2) were investigated with infrared (IR) absorption spectra. When a p-H2 matrix containing Cl2 and isobutene was irradiated with ultraviolet light at 365 nm, intense lines in a set at 534.5, 1001.0, 1212.9, 1366.0, 2961.6, and 2934.7 cm−1, and several weaker others due to the 1-chloro-2-methyl-2-propyl radical, ⋅C(CH3)2CH2Cl, and those in a second set including intense ones at 642.7, 799.2, 1098.2, 1371.8, and 3027.3 cm−1 due to the 2-chloro-2-methylpropyl radical, ⋅CH2C(CH3)2Cl, appeared; the ratio of ⋅C(CH3)2CH2Cl to ⋅CH2C(CH3)2Cl was approximately (3 ± 1):1. The observed wavenumbers and relative intensities agree with the vibrational wavenumbers and IR intensities predicted with the B3PW91/aug-cc-pVTZ method. That the Cl atom adds to both carbons of the C=C bond of isobutene with the terminal site slightly favored is consistent with the energies of products predicted theoretically, but is in contrast to the reaction of Cl + propene in solid p-H2 in which the addition of Cl to mainly the central C atom was previously reported. The role of the p-H2 matrix in affecting the reaction paths is discussed. Absorption lines of the complex i-C4H8⋅Cl2 and the dichloro-product anti-1,2-dichloro-2-methylpropane, a-CH2ClCCl(CH3)2, are also characterized.
Dual binding mode in cohesin-dockerin complexes as assessed through stretching studies
Authors: Wojciechowski Michał , Cieplak Marek
Published: October 2016

A recent experimental study by Jobst et al. of stretching of a wild-type (WT) cohesin-dockerin complex has identified two kinds of the force-displacement patterns, with a single or double-peaked final rupture, which are termed “short” and “long” here. This duality has been interpreted as arising from the existence of two kinds of binding. Here, we analyze the separation of two cohesin-dockerin complexes of C. thermocellum theoretically. We use a coarse-grained structure-based model and the values of the pulling speeds are nearly experimental. In their native states, the two systems differ in the mutual binding orientations of the molecules in the complex. We demonstrate that the WT complex (PDB:1OHZ) unravels along two possible pathways that are qualitatively consistent with the presence of the short and long patterns observed experimentally. On the other hand, the mutated complex (PDB:2CCL) leads only to short trajectories. The short and long stretching pathways also appear in the cohesin-dockerin-Xmodule complex (PDB:4IU3, WT) of R. flavefaciens. Thus the duality in the stretching patterns need not be necessarily due to the duality in binding.
Note: Modified π-type Butterworth-Van Dyke model for dual-mode Lamb-wave resonator with precise two-port Y-parameter characterizations
Authors: Wang Yong , Hong Yan , Goh Wang Ling , Mu Xiaojing
Published: October 2016

Dual-mode Lamb-wave resonator has become a powerful component for clock reference and sensing applications, enabling efficient compensations of temperature effects, concurrent measurements of multiple environmental parameters, etc. An equivalent circuit model for the dual-mode Lamb-wave resonator is indispensable as it provides a means as well as being an effective tool for evaluating device characteristics and to aid the designing of circuitry for the resonators. This could be the first time ever that an efficient equivalent-circuit model, i.e., modified π-type Butterworth-Van Dyke model for dual-mode Lamb-wave resonators is reported. Evaluated by experiments, this model attains noteworthy agreements on both the magnitudes and phases of Y11 and Y21 of the measurement results. Compared to literature, the proposed model is capable of modeling the dual resonances efficiently. Moreover, this work also proves more accurate when viewing the Y-parameters across a wide frequency range. The gained features of this model are most beneficial for the analysis of the dual-mode Lamb-wave resonator and also for the designing of circuits.
Growth kinetics of racemic heptahelicene-2-carboxylic acid nanowires on calcite (104)
Authors: Einax Mario , Richter Tobias , Nimmrich Markus , Rahe Philipp , Stará Irena G. , Starý Ivo , Kühnle Angelika , Maass Philipp
Published: October 2016

Molecular self-assembly of racemic heptahelicene-2-carboxylic acid on a dielectric substrate at room temperature can be used to generate wire-like organic nanostructures consisting of single and double molecular rows. By means of non-contact atomic force microscopy, we investigate the growth of the wire-like pattern after deposition by experimental and theoretical means. From analyzing the time dependence of the mean row length, two distinct regimes were found. At the early post-deposition stage, the mean length grows in time. Subsequently, a crossover to a second regime is observed, where the mean row length remains nearly constant. We explain these findings by a mean-field rate equation approach providing a comprehensive picture of the growth kinetics. As a result, we demonstrate that the crossover between the two distinct regimes is accomplished by vanishing of the homochiral single rows. At later stages only heterochiral double row structures remain.
Efficient extraction of high power THz radiation generated by an ultra-relativistic electron beam in a dielectric loaded waveguide
Authors: Antipov S. , Baryshev S. V. , Kostin R. , Baturin S. , Qiu J. , Jing C. , Swinson C. , Fedurin M. , Wang D.
Published: October 2016

We have measured an intense THz radiation produced by a sub-picosecond, relativistic electron bunch in a dielectric loaded waveguide. For efficient THz pulse extraction, the dielectric loaded waveguide end was cut at an angle. For an appropriate choice of angle cut, such antenna converts the TM01 mode excited in the waveguide into a free-space fundamental Gauss-Hermite mode propagating at an angle with respect to the electron beam trajectory. Simulations show that more than 95% of energy can be extracted using such a simple approach. More than 40 oscillations of about 170 ps long 0.48 THz signal were explicitly measured with an interferometer and 10 μJ of energy per pulse, as determined with a calorimetric energy meter, were delivered outside the electron beamline to an area suitable for THz experiments.
Topological terahertz circuits using semiconductors
Authors: Bahari B. , Tellez-Limon R. , Kanté B.
Published: October 2016

Topological insulator-based devices can transport electrons/photons at the surfaces of materials without any back reflections, even in the presence of obstacles. Topological properties have recently been investigated using non-reciprocal materials, such as gyromagnetics, or using bianisotropy. However, these effects usually saturate at the optical frequencies and limit our ability to scale down the devices. In order to implement topological devices that we introduce in this paper for the terahertz range, we show that the semiconductors can be utilized via their cyclotron resonance in combination with small magnetic fields. We propose two terahertz operating devices such as the topological tunable power splitter and the topological circulator. This work opens up the perspectives in designing the terahertz integrated devices and circuits with high functionality.