bluuebunny/crossref_metadata_2025 huggingface dataset:
Capacity for instantaneous catabolism of preferred and non-preferred carbon sources in Escherichia coli and Bacillus subtilis
Authors: Buffing Marieke F. , Link Hannes , Christodoulou Dimitris , Sauer Uwe
Published: July 2018

Making the right choice for nutrient consumption in an ever-changing environment is a key factor for evolutionary success of bacteria. Here we investigate the regulatory mechanisms that enable dynamic adaptation between non-preferred and preferred carbon sources for the model Gram-negative and -positive species Escherichia coli and Bacillus subtilis, respectively. We focus on the ability for instantaneous catabolism of a gluconeogenic carbon source upon growth on a glycolytic carbon source and vice versa. By following isotopic tracer dynamics on a 1–2 minute scale, we show that flux reversal from the preferred glucose to non-preferred pyruvate as the sole carbon source is primarily transcriptionally regulated. In the opposite direction, however, E. coli can reverse its flux instantaneously by means of allosteric regulation, whereas in B. subtilis this flux reversal is transcriptionally regulated. Upon removal of transcriptional regulation, B. subtilis assumes the ability of instantaneous glucose catabolism. Using an approach that combines quantitative metabolomics and kinetic modelling, we then identify the additionally necessary key metabolite-enzyme interactions that implement the instantaneous flux reversal in the transcriptionally deregulated B. subtilis, and validate the most relevant allosteric interactions.
Cell type discrimination based on image features of molecular component distribution
Authors: Germond Arno , Ichimura Taro , Chiu Liang-da , Fujita Katsumasa , Watanabe Tomonobu M. , Fujita Hideaki
Published: July 2018

Machine learning-based cell classifiers use cell images to automate cell-type discrimination, which is increasingly becoming beneficial in biological studies and biomedical applications. Brightfield or fluorescence images are generally employed as the classifier input variables. We propose to use Raman spectral images and a method to extract features from these spatial patterns and explore the value of this information for cell discrimination. Raman images provide information regarding distribution of chemical compounds of the considered biological entity. Since each spectral wavelength can be used to reconstruct the distribution of a given compound, spectral images provide multiple channels of information, each representing a different pattern, in contrast to brightfield and fluorescence images. Using a dataset of single living cells, we demonstrate that the spatial information can be ranked by a Fisher discriminant score, and that the top-ranked features can accurately classify cell types. This method is compared with the conventional Raman spectral analysis. We also propose to combine the information from whole spectral analyses and selected spatial features and show that this yields higher classification accuracy. This method provides the basis for a novel and systematic analysis of cell-type investigation using Raman spectral imaging, which may benefit several studies and biomedical applications.
Main and interactive effects of physical activity, fitness and body mass in the prevention of cancer from the Copenhagen Male Study
Authors: Nunez Carlos , Clausen Johan , Jensen Magnus Thorsten , Holtermann Andreas , Gyntelberg Finn , Bauman Adrian
Published: July 2018

Little knowledge exists about the role of cardiorespiratory fitness (CRF) or its interaction with excess adiposity determined by body mass index (BMI) in cancer prevention. A total of 5,128 middle-aged men, without a history of cancer at baseline in 1970–71, were examined for subsequent incidence and mortality of several cancer types. Participants’ data were linked with cancer registration and mortality data to March 2017. During 47 years of follow-up, a total of 1,920 incident cases and 1,638 cancer-related deaths were ascertained. BMI, particularly obesity, was associated with (i) incidence and (ii) mortality from respiratory/thoracic cancers; and (iii) all cancer-cause mortality. The respective adjusted hazard ratios (HRs) were: (i) 0.51 (95%CI:0.32–0.79), (ii) 0.48 (95%CI:0.30–0.75) and (iii) 0.73 (95%CI:0.59–0.89) when compared obese men (BMI ≥30 kg/m2) to men with healthy-BMI (<25 kg/m2). Increasing CRF was inversely associated with incidence and mortality of respiratory/thoracic cancers, HRs 0.78 (95%CI:0.67–0.90) and 0.73 (95%CI:0.63–0.84) respectively; and all cancer-cause incidence 0.92 (95%CI:0.86–0.98) and mortality 0.85 (95%CI:0.79–0.91). Physical activity (PA) was not associated with most outcomes. We found no evidence of interactions between CRF or PA and BMI on cancer risk. This evidence suggests that midlife CRF is associated with lowered risk of cancer incidence and mortality with no evidence of cancer risk modification by BMI.
The RLR/NLR expression and pro-inflammatory activity of tissue mast cells are regulated by cathelicidin LL-37 and defensin hBD-2
Authors: Agier Justyna , Różalska Sylwia , Wiktorska Magdalena , Żelechowska Paulina , Pastwińska Joanna , Brzezińska-Błaszczyk Ewa
Published: July 2018

Considering the significance of mast cells (MCs) in the course of various physiological and pathological processes, and the pivotal role of endogenous molecules, i.e., cathelicidins and defensins as multifunctional modulators, the study examines the constitutive and cathelicidin LL-37/defensin hBD-2-induced expression of certain NLRs and RLRs, i.e., NOD1, NOD2, and RIG-I, in fully-mature tissue MCs, and the impact of LL-37 and hBD-2 on MC pro-inflammatory activity. All experiments were carried outin vitroon freshly-isolated peritoneal (P)MCs. qRT-PCR, western blotting, flow cytometry, and confocal microscopy were used to evaluate both constitutive and LL-37/hBD-2-induced expression of NOD1, NOD2, and RIG-I receptors. ROS was determined using H2DCFDA, and Boyden microchamber assay was used to define the migratory response. Standard techniques assessed histamine, cysLT, and chemokine generation. PMCs express NOD1, NOD2, and RIG-I constitutively. LL-37 and hBD-2 enhance the expression and induce translocation of the studied receptors and directly activate the pro-inflammatory and migratory responses of PMCs. Observations demonstrate that LL-37 and hBD-2 might augment MC capability and sensitivity to NLR and RLR ligands and strengthen the role of MCs in inflammation.
A coevolution-guided model for the rotor of the bacterial flagellar motor
Authors: Khan Shahid , Guo Tai Wei , Misra Saurav
Published: July 2018

The Salmonella typhimurium trans-membrane FliF MS ring templates assembly of the rotary bacterial flagellar motor, which also contains a cytoplasmic C-ring. A full-frame fusion of FliF with the rotor protein FliG assembles rings in non-motile expression hosts. 3D electron microscopy reconstructions of these FliFFliG rings show three high electron-density sub-volumes. 3D-classification revealed heterogeneity of the assigned cytoplasmic volume consistent with FliG lability. We used residue coevolution to construct homodimer building blocks for ring assembly, with X-ray crystal structures from other species and injectisome analogs. The coevolution signal validates folds and, importantly, indicates strong homodimer contacts for three ring building motifs (RBMs), initially identified in injectisome structures. It also indicates that the cofolded domains of the FliG N-terminal domain (FliG_N) with embedded α-helical FliF carboxy-terminal tail homo-oligomerize. The FliG middle and C-terminal domains (FliG_MC) have a weak signal for homo-dimerization but have coevolved to conserve their stacking contact. The homodimers and their ring models fit well into the 3D reconstruction. We hypothesize that a stable FliF periplasmic hub provides a platform for FliG ring self-assembly, but the FliG_MC ring has only limited stability without the C-ring. We also present a mechanical model for torque transmission in the FliFFliG ring.
Expression map of 78 brain-expressed mouse orphan GPCRs provides a translational resource for neuropsychiatric research
Authors: Ehrlich Aliza T. , Maroteaux Grégoire , Robe Anne , Venteo Lydie , Nasseef Md. Taufiq , van Kempen Leon C. , Mechawar Naguib , Turecki Gustavo , Darcq Emmanuel , Kieffer Brigitte L.
Published: July 2018

Orphan G-protein-coupled receptors (oGPCRs) possess untapped potential for drug discovery. In the brain, oGPCRs are generally expressed at low abundance and their function is understudied. Expression profiling is an essential step to position oGPCRs in brain function and disease, however public databases provide only partial information. Here, we fine-map expression of 78 brain-oGPCRs in the mouse, using customized probes in both standard and supersensitive in situ hybridization. Images are available at http://ogpcr-neuromap.douglas.qc.ca. This searchable database contains over 8000 coronal brain sections across 1350 slides, providing the first public mapping resource dedicated to oGPCRs. Analysis with public mouse (60 oGPCRs) and human (56 oGPCRs) genome-wide datasets identifies 25 oGPCRs with potential to address emotional and/or cognitive dimensions of psychiatric conditions. We probe their expression in postmortem human brains using nanoString, and included data in the resource. Correlating human with mouse datasets reveals excellent suitability of mouse models for oGPCRs in neuropsychiatric research.
Activated protein C reverses epigenetically sustained p66Shc expression in plaque-associated macrophages in diabetes
Authors: Shahzad Khurrum , Gadi Ihsan , Nazir Sumra , Al-Dabet Moh’d Mohanad , Kohli Shrey , Bock Fabian , Breitenstein Lukas , Ranjan Satish , Fuchs Tina , Halloul Zuhir , Nawroth Peter. P. , Pelicci Pier Giuseppe , Braun-Dullaeus Ruediger C. , Camerer Eric , Esmon Charles T. , Isermann Berend
Published: July 2018

Impaired activated protein C (aPC) generation is associated with atherosclerosis and diabetes mellitus. Diabetes-associated atherosclerosis is characterized by the hyperglycaemic memory, e.g., failure of disease improvement despite attenuation of hyperglycaemia. Therapies reversing the hyperglycaemic memory are lacking. Here we demonstrate that hyperglycaemia, but not hyperlipidaemia, induces the redox-regulator p66Shc and reactive oxygen species (ROS) in macrophages. p66Shc expression, ROS generation, and a pro-atherogenic phenotype are sustained despite restoring normoglycemic conditions. Inhibition of p66Shc abolishes this sustained pro-atherogenic phenotype, identifying p66Shc-dependent ROS in macrophages as a key mechanism conveying the hyperglycaemic memory. The p66Shc-associated hyperglycaemic memory can be reversed by aPC via protease-activated receptor-1 signalling. aPC reverses glucose-induced CpG hypomethylation within the p66Shc promoter by induction of the DNA methyltransferase-1 (DNMT1). Thus, epigenetically sustained p66Shc expression in plaque macrophages drives the hyperglycaemic memory, which—however—can be reversed by aPC. This establishes that reversal of the hyperglycaemic memory in diabetic atherosclerosis is feasible.
Nanocarbon and nanodiamond for high performance phenolics sensing
Authors: Jiang Luyun , Santiago Ibon , Foord John
Published: July 2018

Phenolic compounds are pollutants of major concern, and effective monitoring is essential to reduce exposure. Electrochemical sensors offer rapid and accurate detection of phenols but suffer from two main shortcomings preventing their widespread use: electrode fouling and signal interference from co-existing isomers. Here we demonstrate a potential solution based on environmentally friendly and biocompatible carbon nanomaterials to detect monophenols (phenol and cresol) and biphenols (hydroquinone and catechol). Electrode fouling is tackled in two ways: by introducing electrochemically resistant nanodiamond electrodes and by developing single-use nanocarbon electrodes. We provide a comprehensive analysis of the electrochemical performance of three distinct carbon materials (graphene, nanodiamond and nanocarbon). Nanocarbon exhibits the lowest detection limit below 10−8 M, and one order of magnitude higher sensitivity than the other carbon nanomaterials. We detect co-existing phenol isomers with nanocarbon electrodes and apply it in river water and green tea samples, which may pave the way towards low-cost industrial scale monitoring of phenolic compounds.
Phenotypic trait variation measured on European genetic trials of Fagus sylvatica L
Authors: Robson T. Matthew , Garzón Marta Benito ,   BeechCOSTe52 database consortium, Alia Miranda Ricardo , Barba Egido Diana , Bogdan Saša , Borovics Attila , Božič Gregor , Brendel Oliver , Clark Jo , De Vries Sven M.G , Delehan Ivan I , Ducousso Alexis , Fady Bruno , Fennessy John , Forstreuter Manfred , Frýdl Josef , Geburek Thomas , Gömöry Dušan , Hauke-Kowalska Maria , Huber Gerhard , Ibañez Juan-Ignacio , Ioniţă Lucia , Ivankovič Mladen , Hansen Jon Kehlet , Kóczán- Horváth Anikó , Kraigher Hojka , Lee Steve , Liesebach Mirko , Mátyás Csaba , Mertens Patrick , Muhs Hans-Jakob , Novotný Petr , Parnuţa Gheorghe , Paule Ladislav , Picardo Alvaro , Rasztovics Ervin , Rogge Martin , Stener Lars-Göran , Sułkowska Małgorzata , Urban Otmar , Wuehlisch Georg Von , Vendramin Giovanni G , Vettori Cristina , Wesoły Wojciech
Published: July 2018

We presentBeechCOSTe52; a database of European beech (Fagus sylvatica) phenotypic measurements for several traits related to fitness measured in genetic trials planted across Europe. The dataset was compiled and harmonized during the COST-Action E52 (2006–2010), and subsequently cross-validated to ensure consistency of measurement data among trials and provenances. Phenotypic traits (height, diameter at breast height, basal diameter, mortality, phenology of spring bud burst and autumn–leaf discoloration) were recorded in 38 trial sites where 217 provenances covering the entire distribution of European beech were established in two consecutive series (1993/95 and 1996/98). The recorded data refer to 862,095 measurements of the same trees aged from 2 to 15 years old over multiple years. This dataset captures the considerable genetic and phenotypic intra-specific variation present in European beech and should be of interest to researchers from several disciplines including quantitative genetics, ecology, biogeography, macroecology, adaptive management of forests and bioeconomy.
Raman spectroscopic analysis of the molecular composition of oral cavity squamous cell carcinoma and healthy tongue tissue
Authors: Cals F. L. J. , Bakker Schut T. C. , Caspers P. J. , Baatenburg de Jong R. J. , Koljenović S. , Puppels G. J.
Published: July 2018

By use of a fitting algorithm with pure compound spectra, we show that the content of carbohydrates, proteins and aminoacids is the strongest discriminator between OCSCC and healthy oral tissue.
Portable and power-free serodiagnosis of Chagas disease using magnetic levitating microbeads
Authors: Castro Beatriz , Sala de Medeiros Marina , Sadri Behnam , Martinez Ramses V.
Published: July 2018

Magnetic levitating microbeads enable the point-of-care detection of Chagas antibodies in blood solutions using a portable magnetic stage requiring no electricity.
Unveiling epidithiodiketopiperazine as a non-histone arginine methyltransferase inhibitor by chemical protein methylome analyses
Authors: Sohtome Yoshihiro , Shimazu Tadahiro , Barjau Joaquin , Fujishiro Shinya , Akakabe Mai , Terayama Naoki , Dodo Kosuke , Ito Akihiro , Yoshida Minoru , Shinkai Yoichi , Sodeoka Mikiko
Published: July 2018

We present a chemical methylome analysis to evaluate the inhibitory activity of small molecules towards poorly characterized protein methyltransferases.
Substrate involvement in dioxygen bond dissociation catalysed by iron phthalocyanine supported on Ag(100)
Authors: Sedona Francesco , Lo Cicero Matteo , Carlotto Silvia , Basagni Andrea , Fakhrabadi Mir Masoud Seyyed , Casarin Maurizio , Sambi Mauro
Published: July 2018

The first evidence is provided of the role played by the metal support in the oxygen reduction reaction catalysed by Ag(100)-adsorbed iron phthalocyanine molecules.
Palladium-catalyzed enantioselective carboannulation of 1,3-dienes with aryl iodides enables access to chiral indanes
Authors: Wu Xiang , Chen Shu-Sen , Zhang Ling , Wang Hai-Jun , Gong Liu-Zhu
Published: July 2018

Asymmetric tandem Heck/intramolecular Tsuji–Trost allylation provides various indane derivatives with excellent levels of stereoselectivity.
On-surface synthesis of superlattice arrays of ultra-long graphene nanoribbons
Authors: Moreno Cesar , Paradinas Markos , Vilas-Varela Manuel , Panighel Mirko , Ceballos Gustavo , Peña Diego , Mugarza Aitor
Published: July 2018

We report the on-surface synthesis of graphene nanoribbon superlattice arrays directed by the herringbone reconstruction of the Au(111) surface.
Dramatic improvement of stability by in situ linker cyclization of a metal–organic framework
Authors: Hou Yun-Long , Li Mu-Qing , Cheng Shengxian , Diao Yingxue , Vilela Filipe , He Yonghe , He Jun , Xu Zhengtao
Published: July 2018

Towards 3D graphenes: we demonstrate an effective two-step strategy for accessing crystalline porous covalent networks of highly conjugated π-electron systems.
Computational structure determination of novel metal–organic frameworks
Authors: Wahiduzzaman Mohammad , Wang Sujing , Sikora Benjamin J. , Serre Christian , Maurin Guillaume
Published: July 2018

A structure prediction tool has been developed to guide the discovery of MOF materials.
Facile synthesis and efficient electrochemiluminescence of a readily accessible pyridopyrimidine
Authors: Zhang Ruizhong , Tong Feng , Yang Liuqing , Adsetts Jonathan Ralph , Yan Tianhao , Wang Ruiyao , Ding Zhifeng , Wang Hong-Bo
Published: July 2018

Through a facile one-pot three-component reaction and a subsequent acetylation strategy, a novel greenish-blue fluorescent 4-imino-4H-pyrido[1,2-a]pyrimidine-3-carbonitrile (IPPC) was synthesized.
Disentangling structure-dependent antioxidant mechanisms in phenolic polymers by multiparametric EPR analysis
Authors: Panzella Lucia , D’Errico Gerardino , Vitiello Giuseppe , Perfetti Marco , Alfieri Maria Laura , Napolitano Alessandra , d’Ischia Marco
Published: July 2018

The first EPR systematic study of nature-inspired phenolic polymers revealed signal amplitude as a reliable parameter to predict and interpret the electron/H-atom transfer capacity.
Microstructure and oxidation resistance of relaxed epitaxial nickel thin films grown on (100)- and (110)-SrTiO3 substrates by pulsed laser deposition
Authors: Lefevre Gauthier , Saitzek Sébastien , Blanchard Florent , Ferri Anthony , Roussel Pascal , Desfeux Rachel , Sayede Adlane
Published: July 2018

The relaxed epitaxial growth of Ni thin films has been successfully performed on both (100)- and (110)-oriented SrTiO3 substrates by pulsed laser deposition.
A highly efficient heterogeneous catalyst of cobalt-based coordination polymers for aerobic epoxidation of cyclohexene
Authors: Yu Fan
Published: July 2018

A novel heterogeneous catalyst of cobalt-based coordination polymers using a tyrosine-based derivative has been successfully constructed, and it exhibits high catalytic activity in changing the reaction pathway and lowering the activation energy to 25.5 kJ mol−1.
Dynamic heterogeneity in aqueous ionic solutions
Authors: Ren Gan , Chen Lin , Wang Yanting
Published: July 2018

It is well known that supercooled liquids have heterogeneous dynamics, but it is still unclear whether dynamic heterogeneity also exists in aqueous ionic solutions at room or even higher temperatures.
Interaction of liquid water with the p-GaInP2(100) surface covered with submonolayer oxide
Authors: Hajduk Andreas , Lebedev Mikhail V. , Kaiser Bernhard , Jaegermann Wolfram
Published: July 2018

Interaction of liquid water with p-GaInP2(100) surface causes transformation of residual gallium oxides to monohydroxides with simultaneous metallic gallium accumulation.
The viscous consequence of different trends in clustering of 1,2-diol and 1,n-diol molecules
Authors: Jadżyn Jan , Świergiel Jolanta
Published: July 2018

The molar susceptibilities separate 1,2-diols from 1,n-diols.
Pentavalent phosphorus as a unique phosphorus donor in POCl3 homodimer and POCl3–H2O heterodimer: matrix isolation infrared spectroscopic and computational studies
Authors: Sruthi P. K. , Ramanathan N. , Sarkar Shubhra , Sundararajan K.
Published: July 2018

Phosphorus, an important element among the pnicogen group, opens up avenues for experimental and computational explorations of its interaction in a variety of compounds.
Spectroscopic properties of LaGaO3:V,Nd3+ nanocrystals as a potential luminescent thermometer
Authors: Kniec K. , Marciniak L.
Published: July 2018

In this work we present the spectroscopic properties of LaGaO3:V,Nd3+ nanocrystals, which have been successfully obtained by the Pechini method.
Cancer cell nucleus-targeting nanocomposites for advanced tumor therapeutics
Authors: Pan Limin , Liu Jianan , Shi Jianlin
Published: July 2018

Recent advances in the chemical design and synthesis of nuclear-targeted nanotherapeutics for combating tumors are summarized and highlighted.
Development of highly efficient CuIn0.5Ga0.5Se2-based photocathode and application to overall solar driven water splitting
Authors: Kobayashi Hiroyuki , Sato Naotoshi , Orita Masahiro , Kuang Yongbo , Kaneko Hiroyuki , Minegishi Tsutomu , Yamada Taro , Domen Kazunari
Published: July 2018

Optimization of CBM offset boosted hydrogen evolution from water on CuIn1−xGaxSe2(CIGS) photocathode surface modified with Pt and CdS under simulated sunlight.
Impact of emerging, high-production-volume graphene-based materials on the bioavailability of benzo(a)pyrene to brine shrimp and fish liver cells
Authors: Rodd April L. , Castilho Cintia J. , Chaparro Carlos E. F. , Rangel-Mendez J. Rene , Hurt Robert H. , Kane Agnes B.
Published: July 2018

In abiotic measurements, model invertebrates and fish liver cells, multi-layer graphene nanoplatelets reduce benzo(a)pyrene bioavailability more effectively than carbon black nanoparticles of similar surface area.
In vitrobioaccessibility and speciation changes of selenium inPleurotus eryngiiduring the growing stage
Authors: Fang Yong , Zhang Yingyue , Wang Mingyang , Pei Fei , Xie Minhao , Li Peng , Hu Qiuhui
Published: July 2018

The production ofPleurotus eryngiiby selenium (Se) biofortification is an effective way to improve the demand for Se in humans.
Tunable mixed oxides based on CeO2for the selective aerobic oxidation of 5-(hydroxymethyl)furfural to FDCA in water
Authors: Ventura Maria , Nocito Francesco , de Giglio Elvira , Cometa Stefania , Altomare Angela , Dibenedetto Angela
Published: July 2018

The selective oxidation of 5-HMF towards 2,5-furandicarboxylic acid (FDCA) has been achieved with 99% yield in water, using oxygen as the oxidant over CuO·MnO2·CeO2mixed oxides.
UV photochemical vapor generation of noble metals (Au, Ir, Pd, Pt and Rh): a feasibility study using inductively coupled plasma mass spectrometry and seawater as a test matrix
Authors: Macedo de Oliveira Richard , Borges Daniel L. G.
Published: July 2018

The results originated from the application of a simple and straightforward photochemical reactor to generate volatile species from noble metals (Au, Ir, Pd, Pt and Rh) are presented.
Multicolored photonic barcodes from dynamic micromolding
Authors: Liu Yuxiao , Shang Luoran , Wang Huan , Zhang Han , Zou Minhan , Zhao Yuanjin
Published: July 2018

A dynamic micromolding process is reported for generating 1D/2D photonic barcodes capable for use in bioassays, anti-counterfeiting, and food or pharmaceutical applications.
Biochromic silole derivatives: a single dye for differentiation, quantitation and imaging of live/dead cells
Authors: Chen Sijie , Liu Jianzhao , Zhang Shouxiang , Zhao Engui , Yu Chris Yee Yung , Hushiarian Roozbeh , Hong Yuning , Tang Ben Zhong
Published: July 2018

A new method using a single cell-permeable biochromic fluorescent dye to differentiate, quantify and image both live and dead cells is reported.
Polymer wrapping versus well-oriented crystal growth of polythiophenes onto multi-wall carbon nanotubes via surface chemical modification and regioregularity deliberation
Authors: Charoughchi Somaiyeh , Agbolaghi Samira , Aghapour Sahar , Sarvari Raana , Abbasi Farhang
Published: July 2018

Distinct nano-hybrids including double-fibrillar, shish–kebab, shish–kebab–shish, stem–leaf and stem–leaf–stem were developed using P3HT and CNTs.
Microwave-assisted expeditious approach towards benzimidazole acrylonitrile derivatives exploring a new silica supported SBPTS catalyst
Authors: Ahmad Faheem , Parveen Mehtab
Published: July 2018

An efficient and eco-friendly synthesis of benzimidazole-acrylonitrile derivatives.
Porous metal–organic gel assisted by l-tartaric acid ligand for efficient and controllable drug delivery
Authors: Sun Xiao-Jun , Zhang Xin , Dong Hong , Yang Dou-Dou , Tang Hong-Liang , Zhai Ya-Chao , Wei Jin-Zhi , Zhang Feng-Ming
Published: July 2018

The synthetic route for drug carriers based on porous Al-MOG.
Microstructure, crystal structure modelling and dielectric properties of Y2/3Cu3−xZnxTi4O12 (x = 0.10, 0.20 and 0.30) ceramics
Authors: Sharma Sunita , Singh M. M. , Mandal K. D.
Published: July 2018

Different concentration variants of Y2/3Cu3−xZnxTi4O12 (x = 0.00, 0.10, 0.20 and 0.30) ceramics were fabricated by the semi-wet route at a lower sintering temperature of 950 °C.
N-Annulated perylene diimide derivatives as non-fullerene acceptors for solution-processed solar cells with an open-circuit voltage of up to 1.14 V
Authors: You Fei , Zhou Xingbao , Huang Hongyan , Liu You , Liu Sizhou , Shao Jinjun , Zhao Baomin , Qin Tianshi , Huang Wei
Published: July 2018

Three different non-fullerene small molecular acceptors containing N-annulated perylene diimide, named di-PNR, TPA-PNR and EDOT-PNR, were successfully designed and synthesized for photovoltaic applications.
Synthesis and characterization of graphene/carbonized paper/tannic acid for flexible composite electrodes
Authors: Jia Meng-Ying , Xu Lan-Shu , Li Yue , Yao Chun-Li , Jin Xiao-Juan
Published: July 2018

A simple and low-cost approach toward flexible and free-standing electrodes is developed.
A genomics perspective on natural product biosynthesis in plant pathogenic bacteria
Authors: Baldeweg Florian , Hoffmeister Dirk , Nett Markus
Published: July 2018

This review summarizes findings from genomics-inspired natural product research in plant pathogenic bacteria and discusses emerging trends in this field.
Time-dependent luminescence loss for individual upconversion nanoparticles upon dilution in aqueous solution
Authors: Dukhno Oleksii , Przybilla Frédéric , Muhr Verena , Buchner Markus , Hirsch Thomas , Mély Yves
Published: July 2018

Dissolution of upconversion nanoparticles has significant consequences in high dilution conditions, e.g. in microscopy experiments.
A multi-functional macrophage and tumor targeting gene delivery system for the regulation of macrophage polarity and reversal of cancer immunoresistance
Authors: He Xiao-Yan , Liu Bo-Ya , Xu Chang , Zhuo Ren-Xi , Cheng Si-Xue
Published: July 2018

A macrophage and tumor targeting delivery system of pDNA IL-12 can effectively regulate macrophage polarity and reverse cancer immunoresistance.
Enhancing the catalytic activity of the alkaline hydrogen evolution reaction by tuning the S/Se ratio in the Mo(SxSe1−x)2catalyst
Authors: Bar-Ziv Ronen , Meiron Oren E. , Bar-Sadan Maya
Published: July 2018

Stronger together: Alloying allows the optimization of the binding properties of Mo(SxSe1−x)2nanoflowers such that their catalytic activity towards hydrogen production is enhanced in alkaline solution.
Chiral β3-isocyanopropionates for multicomponent synthesis of peptides and depsipeptides containing a β-amino acid fragment
Authors: Zarezin Danil P. , Shmatova Olga I. , Nenajdenko Valentine G.
Published: July 2018

Chiral β3-isocyanopropionic acids derivatives is a new type of isocyanides for multicomponent reactions. The use of these isocyanides in Ugi and Passerini reactions allows to prepare short peptides and depsipeptides with β-amino acid moiety in the structure.
Straightforward synthesis of model polystyrene-block-poly(vinyl alcohol) diblock polymers
Authors: Altintas Ozcan , Speros Joshua C. , Bates Frank S. , Hillmyer Marc A.
Published: July 2018

Well-defined polystyrene-block-poly(vinyl alcohol) (PS-b-PVA) polymers were synthesizedviaRDRP protocols. The morphology of the block polymers was investigated by GISAXS and AFM.
Pi conjugated system bricolage (figuration) toward functional organic molecular systems
Authors: Fukushima Takanori
Published: July 2018

Guest editor Takanori Fukushima introduces this Materials Chemistry Frontiers themed collection on π-electronic molecules.
Polarization-independent and angle-insensitive electromagnetically induced transparent (EIT) metamaterial based on bi-air-hole dielectric resonators
Authors: Zhu Lei , Zhao Xin , Dong Liang , Guo Jing , He Xun Jun , Yao Zhong Min
Published: July 2018

We numerically demonstrate that an electromagnetically induced transparent (EIT) all-dielectric metamaterial with properties of polarization-independence and incident angle insensitivity can be achieved in terahertz regimes.
Do the fragments from decomposed ZIF-8 greatly affect some of the intramolecular proton-transfer of thymine? A quantum chemical study
Authors: Li Dejie , Han Ying , Li Huijuan , Zhang Ping , Kang Qi , Shen Dazhong
Published: July 2018

Investigations on whether fragments from decomposed ZIF-8 would affect the intramolecular proton-transfer of thymine by DFT modeling.
Bio-inspired microcapsule for targeted antithrombotic drug delivery
Authors: Ye Wei , Wang Nan , Hu Kebang , Zhang Lincai , Liu Aihui , Pan Changjiang , Gong Tao , Liu Tao , Ding Hongyan
Published: July 2018

NK-loaded hollow microcapsules were fabricated and assessed as a potential antithrombosis therapy.
Facile fabrication of polyurethane/epoxy IPNs filled graphene aerogel with improved damping, thermal and mechanical properties
Authors: Zhang Chunmei , Chen Yujie , Li Hua , Liu Hezhou
Published: July 2018

PEGA composites were facilely fabricated by a one-step vacuum-assisted filling method, and exhibited improved damping, thermal and mechanical properties.
Controllable synthesis of AgNWs@PDA@AgNPs core–shell nanocobs based on a mussel-inspired polydopamine for highly sensitive SERS detection
Authors: Zhang Zhiliang , Si Tiantian , Liu Jun , Han Kehui , Zhou Guowei
Published: July 2018

An effective strategy was developed to controllably synthesize a series of AgNWs@PDA@AgNP core–shell nanocobs based on a mussel-inspired polydopamine and achieve highly sensitive SERS detection.
The hydrogen atom transfer reactivity of sulfinic acids
Authors: Griesser Markus , Chauvin Jean-Philippe R. , Pratt Derek A.
Published: July 2018

Sulfinic acids are characterized to be very good H-atom donors to each of alkyl and alkoxyl radicals. In order to participate in useful radical chain reactions, the sulfonyl radicals must undergo fast propagating reactions to avoid autoxidation, which is surprisingly rate-limited by the reaction of sulfonyl radicals with oxygen.
Determination and optimization of material parameters of particle-based LaTiO2N photoelectrodes
Authors: Gaudy Yannick K. , Dilger Stefan , Landsmann Steve , Aschauer Ulrich , Pokrant Simone , Haussener Sophia
Published: July 2018

We developed a validated numerical model capable of predicting the photocurrent–voltage characteristics of oxide and oxynitride particle-based photoelectrodes and identifying the critical parameters affecting the performance of those photoelectrodes.
Efficient and thermally stable all-polymer solar cells based on a fluorinated wide-bandgap polymer donor with high crystallinity
Authors: Su Wenyan , Meng Yuan , Guo Xia , Fan Qunping , Zhang Ming , Jiang Yufeng , Xu Zhuo , Dai Yu , Xie Beichen , Liu Feng , Zhang Maojie , Russell Thomas P. , Li Yongfang
Published: July 2018

Efficient all-PSCs based on PFBZ:N2200 were developed and achieved a high efficiency of 8.1%. The PSCs show high thermal stability and storability.
Promoting polysulfide redox reactions and improving electronic conductivity in lithium–sulfur batteries via hierarchical cathode materials of graphene-wrapped porous TiO2 microspheres with exposed (001) facets
Authors: Zha Chenyang , Yang Fengli , Zhang JunJie , Zhang Tikai , Dong Shuai , Chen Houyang
Published: July 2018

A graphene-wrapped porous TiO2 cathode with exposed (001) facets for enhanced polysulfide redox reactions in lithium–sulfur batteries.
Enhancing the performance of non-fullerene organic solar cells via end group engineering of fused-ring electron acceptors
Authors: Yan Cenqi , Wang Wei , Lau Tsz-Ki , Li Kejia , Wang Jiayu , Liu Kuan , Lu Xinhui , Zhan Xiaowei
Published: July 2018

We designed and synthesized ITIC5 by replacing benzene-fused end groups of ITIC1 with thiophene-fused end groups and investigated effects of thiophene/benzene-fused termini on optical and electronic potentials of these molecules as well as the performance of organic solar cells.
Organosilicon dimer of BTBT as a perspective semiconductor material for toxic gas detection with monolayer organic field-effect transistors
Authors: Trul Askold A. , Sizov Alexey S. , Chekusova Victoria P. , Borshchev Oleg V. , Agina Elena V. , Shcherbina Maxim A. , Bakirov Artem V. , Chvalun Sergey N. , Ponomarenko Sergey A.
Published: July 2018

Monolayer organic field effect transistors (OFETs) based on novel BTBT dimer demonstrate excellent electrical performance and fast response to ammonia vapours.
Thermal and light-induced spin transition in a nanometric film of a new high-vacuum processable spin crossover complex
Authors: Atzori Matteo , Poggini Lorenzo , Squillantini Lorenzo , Cortigiani Brunetto , Gonidec Mathieu , Bencok Peter , Sessoli Roberta , Mannini Matteo
Published: July 2018

Herein, we report the identification of a novel high-vacuum processable spin-crossover complex which can be efficiently used to prepare continuous ultrathin films with retention of switchable magnetic properties.
Highly efficient polymer solar cells via multiple cascade energy level engineering
Authors: Li Zuojia , Tang Dongsheng , Ji Zhenkai , Zhang Wei , Xu Xiaopeng , Feng Kui , Li Ying , Peng Qiang
Published: July 2018

High-performance multiple blend polymer solar cells (PSCs) were firstly achieved via a multiple cascade energy level engineering strategy. By introducing more different bandgap copolymers with the similar molecular backbones, steadier energy level alignment and more charge transfer channels in devices could be realized.
Methods for automated genome-scale metabolic model reconstruction
Authors: Faria José P. , Rocha Miguel , Rocha Isabel , Henry Christopher S.
Published: July 2018

In the era of next-generation sequencing and ubiquitous assembly and binning of metagenomes, new putative genome sequences are being produced from isolate and microbiome samples at ever-increasing rates. Genome-scale metabolic models have enormous utility for supporting the analysis and predictive characterization of these genomes based on sequence data. As a result, tools for rapid automated reconstruction of metabolic models are becoming critically important for supporting the analysis of new genome sequences. Many tools and algorithms have now emerged to support rapid model reconstruction and analysis. Here, we are comparing and contrasting the capabilities and output of a variety of these tools, including ModelSEED, Raven Toolbox, PathwayTools, SuBliMinal Toolbox and merlin.
Mapping of truck traffic in New Jersey using weigh‐in‐motion data
Authors: Demiroluk Sami , Ozbay Kaan , Nassif Hani
Published: July 2018

This study presents an innovative hierarchical Bayesian model for mapping of county level truck traffic in New Jersey. First, the model is estimated using truck counts. Then, using overweight truck counts from weigh‐in‐motion data as the response variable, the model is re‐estimated. The goal in using the overweight trucks in the spatial model is to demonstrate the importance of representing their spatial variation due to their impact on the life of the roadway network elements. Finally, truck count maps are developed based on modelling results to visualise the effects of spatial covariates. The results of the study indicate that the most influential covariate for the truck traffic is the length of interstate roadways, followed by employment and population. The developed truck count maps can help transportation professionals on identifying and ranking the locations at an aggregate level, which requires closer attention.
Estimation of sparse O–D matrix accounting for demand volatility
Authors: Wen Tao , Cai Chen , Gardner Lauren , Waller Steven Travis , Dixit Vinayak , Chen Fang
Published: July 2018

A critical issue in origin–destination (O–D) demand estimation is under‐determination: the number of O–D pairs to be estimated is often much greater than the number of monitored links. In real world, some centroids tend to be more popular than others, and only few trips are made for intro‐zonal travel. Consequently, a large portion of trips will be made for a small portion of O–D pairs, meaning many O–D pairs have only a few or even zero trips. Mathematically, this implies that the O–D matrix is sparse. Also, the correlation between link flows is often neglected in the O–D estimation problem, which can be obtained from day‐to‐day loop detector count data. Thus, sparsity regularisation is combined with link flow correlation to provide additional inputs for the O–D estimation process to mitigate the issue of under‐determination and thereby improve estimation quality. In addition, a novel strategic user equilibrium model is implemented to provide route choice of users for the O–D estimation problem, which explicitly accounts for demand and link flow volatility. The model is formulated as a convex generalised least squares problem with regularisation, the usefulness of sparsity assumption, and link flow correlation is presented in the numerical analysis.
Priority‐based target coverage in directional sensor networks
Authors: Zarei Zahra , Bag‐Mohammadi Mozafar
Published: July 2018

The target coverage optimisation is an important problem in directional sensor networks (DSNs). In this study, the authors present a novel algorithm, called cover critical target first (CCTF), for improving the coverage ratio in DSN. CCTF simultaneously maximises the number of covered targets, reduces the number of active sensors, and extends network lifetime. For a set of uncovered targets, CCTF always finds the highest priority target which has the minimum number of covering sensors. Among sensors that could cover this target, CCTF activates a sensor that covers more additional targets besides the found target. CCTF's performance is evaluated in terms of coverage ratio, the number of active sensors, and power consumption through extensive simulation. The simulation indicates that CCTF is robust against orientation and localisation errors.
Multi‐pyramid image spatial structure based on coarse‐to‐fine pyramid and scale space
Authors: Xu Jiucheng , Wang Nan , Wang Yuyao
Published: July 2018

Coarse‐to‐fine pyramid and scale space are two important image structures in the realm of image matching. However, the advantage of coarse‐to‐fine pyramid is neglected as the pyramid structure is usually constructed with the down sampling method in scale space. In addition, the importance of each lattice is different for one single image. Based on the analyses above, the new multi‐pyramid (M‐P) image spatial structure is constructed. First, coarse‐to‐fine pyramid is constructed by partitioning the original image into increasingly finer lattices, and the number of interest points is also adopted to be each lattice's non‐normalized weight on each pyramid level. Second, the scale space of each lattice on each pyramid level is generated with the classic Gaussian kernel. Third, the descriptors of each lattice are generated by regarding the stability of scale space as the description of image. Moreover, the parallel version of M‐P algorithm is also presented to accelerate the speed of computation. Finally, the comprehensive experimental results reveal that our multi‐pyramid structure which is constructed by the combination of coarse‐to‐fine spatial pyramid and scale space can generate more effective features, compared with the other related methods.
Identification of bottlenecks and analysis of the state before applying lean management
Authors: Wolniak Radosław , Skotnicka-Zasadzień Bożena , Gębalska-Kwiecień Anna
Published: July 2018

The analysis of the production process from the time operations point of view is very important method use in Lean management to improve the whole process. In this paper we describe example of this type analysis on the example of industrial organization from automotive industry. The aim of presented paper is to identify the bottleneck in the production process and to analyse operations times in the production process. On the basis of the carried out preliminary analysis it was stated that the lack of proper organization of the place and time of work, lack of proper preparation in terms of content and equipment, lack of proper work standards, and what unfortunately in the case of the RZ machine are very important factors of losses.
Monitoring of information security system elements in the metallurgical enterprises
Authors: Żywiołek Justyna
Published: July 2018

The article concerns the monitoring of elements of the information security system in an enterprise. The purpose of the research was to determine the reasons for monitoring information flows in the surveyed enterprise. The identification of information flows facilitates information management, empowering individuals to process information and preventing information security incidents. The implementation of information management methods facilitates monitoring the information security status.
Tribological characteristics of Al/SiC/Gr hybrid composites
Authors: Veličković Sandra , Miladinović Slavica , Stojanović Blaža , Nikolić Ružica , Hadzima Branislav , Arsić Dušan , Meško Jozef
Published: July 2018

Metal matrix composites (MMCs) are considered as important engineering materials due to their excellent mechanical, as well as tribological properties. When the metal (or alloy) matrix is reinforced with two or more reinforcements, those composites are the so-called hybrid composites. The aluminum metal matrix composites, reinforced with silicon carbide (SiC) and graphite (Gr), are extensively used due to their high strength and wear resistance. The tribological characteristics of such materials are superior to characteristics of the matrix. This research is presenting influence of the load and the graphite and silicon carbide contents the composites’ wear rate and the friction coefficient.
The computational analysis of the crack width of beams reinforced with CFRP and steel bars
Authors: Brózda Kinga , Selejdak Jacek
Published: July 2018

The aim of the paper is to explain the particular problems related to the use of FRP reinforcement in bending beams. The paper compares the aspect of Serviceability Limit State (SLS) of simply supported concrete beams reinforced with Carbon Fiber Reinforced Polymer (CFRP) bars and three various types of steel bars (the steel grades are 35G2Y, 20G2VY-b and B500SP). The computational analysis of change in crack width under the influence of various level of service live load was investigated. The calculations of beam reinforced with FRP bars was based on Italian design guideline (CNR-DT 203/2006) and the conventional reinforced concrete beams (RC) were analysed in accordance with the European standard Eurocode 2 (EN 1992-1-1:2004).
Control of incompatibilities in the production of helmets for mining
Authors: Sygut Piotr
Published: July 2018

The paper presents the results of tests carried out in one of the national enterprises producing personal protection equipment. Characteristics of individual protection measures are presented, including those found in the construction and equipment of a protective helmet for the mining industry. In addition, proposals for improving the production process were presented in order to eliminate or limit the number of incompatibilities occurring in a given process.
Quick Response Quality Control as an innovative approach in the conditions of rail transport
Authors: Nedeliaková Eva , Štefancová Vladimíra , Kuka Adrián
Published: July 2018

Customer satisfaction with the provided transport services is closely related to the ability of management to respond flexibly to process changes and maintain the required quality. QRQC is also considered as a method for troubleshooting and it can be applicable in many different areas along rail transport. The innovative qualitative approach QRQC highlights the principle of thorough analysis of the causes of problems. After a problem situation occurs in a traffic operation, it is necessary to proceed according to the specified sequence in order to reduce the undesirable influence in the shortest possible time. The article deals with the possibility of applying this method to rail transport processes.
The analysis of non-conformances as the way of assessment of quality of aluminium finishing strips in the selected company
Authors: Kardas Edyta
Published: July 2018

The main purpose of the paper is the analysis of nonconformances of aluminium finishing strips in one of Polish companies. This kind of analysis may be one of the ways to assess the quality of products. In the first part of the paper qualitative analysis of nonconformances of strips was made using the Pareto chart, where 6 types of non-conformances were taken into account. In the second part of the paper the causes and effects of non-conformances of strips were assessed using FMEA method. This method showed that the biggest problem concerned the anodised coating of strips. In the last part of the paper the in-depth analysis of the causes of appearance of defects if anodising process using Ishikawa chart was made. All causes were discussed. The analysis takes into account the results collected in the company producing various types of strips. The analysis covers the period of two calendar years.
Effect of the number of non-conforming samples on the Kappa indicator values
Authors: Klaput Pavel , Vykydal David
Published: July 2018

Evaluate the quality of this measurement system is possible by using multiple methods, which are described in the methodology guides for evaluation of the measurement system quality. Within these methods, values of different indicators are evaluated. This paper deals with the cross tabulation method and foremost Kappa indicator. More specifically is examined the effect of the number of used nonconforming samples on explanatory power of this indicator. The effect on the kappa values is examined from several aspects that must be taken into account during evaluation of the quality of measurement system for attributive quality characteristics.
The 3x3 matrix as a tool for evaluation of technological position of the enterprise
Authors: Ingaldi Manuela , Zhuravskaya Marina
Published: July 2018

Technology is the way we do things. It is the application of knowledge to create products that serve human needs and aspirations. It decides about the success of the enterprises. The technological position of every enterprise can be treated as an element of its strategy. This position depends on existing technologies, equipment and on element deciding about its market position. For this evaluation a 3x3 matrix can be used. This matrix consists of 9 fields that correspond to the respective technological positions of the enterprise and help to identify its strategy in terms of technology. The research was shown on example the foundry. To evaluate its technological position it was necessary to indicate factors - those that determine the technological possibilities of the company and those that determine its position on the market.