bluuebunny/crossref_metadata_2025 huggingface dataset:
Associations between back pain across adulthood and spine shape in early old age in a British birth cohort
Authors: Muthuri Stella G. , Pavlova Anastasia V. , Saunders Fiona R. , Hardy Rebecca J. , Gregory Jennifer S. , Barr Rebecca J. , Martin Kathryn R. , Adams Judith E. , Kuh Diana , Aspden Richard M. , Cooper Rachel
Published: October 2018

We aimed to examine whether back pain across adulthood was associated with spine shape at age 60–64 years. Data were from 1405 participants in the MRC National Survey of Health and Development, a nationally representative British birth cohort. Back pain was ascertained during nurse interviews at ages 36, 43, 53 and 60–64 years. Cumulative exposure to back pain was then derived by counting the number of ages at which back pain was reported. Statistical shape modelling was used to characterise thoracolumbar spine shape using lateral dual-energy x-ray absorptiometry images which were ascertained at age 60–64 years. Linear regression models were used to test associations of spine shape modes (SM) with: (1) cumulative exposure to back pain; (2) back pain reports during different periods of adulthood. After adjusting for sex, higher cumulative exposure to back pain across adulthood was associated with wedge-shaped L4-5 disc (lower SM4 scores) and smaller disc spaces (higher SM8 scores) in both sexes. In addition, reporting of back pain at ages 53 and/or 60–64 years was associated with smaller L4-5 disc space (lower SM6 scores) in men but not women. These findings suggest that back pain across adulthood may be associated with specific variations in spine shapes in early old age.
Opportunistic dose amplification for proton and carbon ion therapy via capture of internally generated thermal neutrons
Authors: Safavi-Naeini Mitra , Chacon Andrew , Guatelli Susanna , Franklin Daniel R. , Bambery Keith , Gregoire Marie-Claude , Rosenfeld Anatoly
Published: October 2018

This paper presents Neutron Capture Enhanced Particle Therapy (NCEPT), a method for enhancing the radiation dose delivered to a tumour relative to surrounding healthy tissues during proton and carbon ion therapy by capturing thermal neutrons produced inside the treatment volume during irradiation. NCEPT utilises extant and in-development boron-10 and gadolinium-157-based drugs from the related field of neutron capture therapy. Using Monte Carlo simulations, we demonstrate that a typical proton or carbon ion therapy treatment plan generates an approximately uniform thermal neutron field within the target volume, centred around the beam path. The tissue concentrations of neutron capture agents required to obtain an arbitrary 10% increase in biological effective dose are estimated for realistic treatment plans, and compared to concentrations previously reported in the literature. We conclude that the proposed method is theoretically feasible, and can provide a worthwhile improvement in the dose delivered to the tumour relative to healthy tissue with readily achievable concentrations of neutron capture enhancement drugs.
EEG sharp waves are a biomarker of striatal neuronal survival after hypoxia-ischemia in preterm fetal sheep
Authors: Abbasi Hamid , Drury Paul P. , Lear Christopher A. , Gunn Alistair J. , Davidson Joanne O. , Bennet Laura , Unsworth Charles P.
Published: October 2018

The timing of hypoxia-ischemia (HI) in preterm infants is often uncertain and there are few biomarkers to determine whether infants are in a treatable stage of injury. We evaluated whether epileptiform sharp waves recorded from the parietal cortex could provide early prediction of neuronal loss after HI. Preterm fetal sheep (0.7 gestation) underwent acute HI induced by complete umbilical cord occlusion for 25 minutes (n = 6) or sham occlusion (control, n = 6). Neuronal survival was assessed 7 days after HI by immunohistochemistry. Sharp waves were quantified manually and using a wavelet-type-2-fuzzy-logic-system during the first 4 hours of recovery. HI resulted in significant subcortical neuronal loss. Sharp waves counted by the automated classifier in the first 30 minutes after HI were associated with greater neuronal survival in the caudate nucleus (r = 0.80), whereas sharp waves between 2–4 hours after HI were associated with reduced neuronal survival (r = −0.83). Manual and automated counts were closely correlated. This study suggests that automated quantification of sharp waves may be useful for early assessment of HI injury in preterm infants. However, the pattern of evolution of sharp waves after HI was markedly affected by the severity of neuronal loss, and therefore early, continuous monitoring is essential.
Long-term efavirenz pharmacokinetics is comparable between Tanzanian HIV and HIV/Tuberculosis patients with the same CYP2B6*6 genotype
Authors: Kitabi Eliford Ngaimisi , Minzi Omary Mashiku Sylivester , Mugusi Sabina , Sasi Philip , Janabi Mohamed , Mugusi Ferdinand , Bertilsson Leif , Burhenne Jürgen , Aklillu Eleni
Published: October 2018

The impact of anti-tuberculosis co-treatment on efavirenz (EFV) exposure is still uncertain as contradictory reports exist, and the relevance of CYP2B6*6 genetic polymorphism on efavirenz clearance while on-and-off anti-tuberculosis co-treatment is not well investigated. We investigated the determinants of long-term efavirenz pharmacokinetics by enrolling HIV (n = 20) and HIV/Tuberculosis (n = 36) subjects undergoing efavirenz and efavirenz/rifampicin co-treatment respectively. Pharmacokinetic samplings were done 16 weeks after initiation of efavirenz-based anti-retroviral therapy and eight weeks after completion of rifampicin-based anti-tuberculosis treatment. Population pharmacokinetic modeling was used to characterize variabilities and covariates of efavirenz pharmacokinetic parameters. CYP2B6*6 genetic polymorphism but not rifampicin co-treatment was the statistically significant covariate. The estimated typical efavirenz clearance in the HIV only subjects with the CYP2B6*1/*1 genotype was 23.6 L/h/70 kg, while it was 38% and 69% lower in subjects with the CYP2B6*1/*6 and *6/*6 genotypes, respectively. Among subjects with the same CYP2B6 genotypes, efavirenz clearances were comparable between HIV and HIV/Tuberculosis subjects. Typical efavirenz clearances before and after completion of anti-tuberculosis therapy were comparable. In conclusion, after 16 weeks of treatment, efavirenz clearance is comparable between HIV and HIV/Tuberculosis patients with the same CYP2B6 genotype. CYP2B6 genotyping but not anti-tuberculosis co-treatment should guide efavirenz dosing to optimize treatment outcomes.
Embryos of an Antarctic zooplankton require anoxia for dormancy, are permeable to lipophilic chemicals, and reside in sediments containing PCBs
Authors: Reed Katherine A. , Park Hyun , Lee Sung Gu , Lee Wonseok , Lee Sang-Hwan , Bleau Jason M. , Munden Taylor N. M. , Covi Joseph A.
Published: October 2018

Zooplankton in Antarctic maritime lakes face challenges imposed by anthropogenic chemicals. Studies on temperate species suggest that lipophilic chemicals will accumulate in dormant embryos of Antarctic zooplankton and decrease hatching success, thereby threatening centuries of accumulated genetic diversity that would increase population resilience in the face of climate change. We evaluated the potential for lakes to act as sinks for legacy pollutants in the maritime Antarctic by testing sediments for polychlorinated biphenyls (PCBs) previously identified in soil, flora and fauna of lake catchments. Direct tests of embryo permeability to chemicals are confounded by potential adhesion of chemicals to the embryo surface and limited biomass available. Therefore, in order to assess the potential for lipophilic chemicals to penetrate and passively accumulate in dormant embryos of Antarctic lacustrine zooplankton, we evaluated the effect of anoxia on post-diapause development in the calanoid copepod, Boeckella poppei, and then used chemical anoxia induced by rotenone as a reporter for permeability of these embryos to moderately lipophilic chemicals. The data presented demonstrate that embryos of B. poppei from Antarctic lake sediments will passively accumulate moderately lipophilic chemicals while lying dormant in anoxic sediments. Implications for legacy POPs in sediments of Antarctic maritime lakes are discussed.
Machine learning provides novel neurophysiological features that predict performance to inhibit automated responses
Authors: Vahid Amirali , Mückschel Moritz , Neuhaus Andres , Stock Ann-Kathrin , Beste Christian
Published: October 2018

Neurophysiological features like event-related potentials (ERPs) have long been used to identify different cognitive sub-processes that may contribute to task performance. It has however remained unclear whether “classical” ERPs are truly the best reflection or even causal to observable variations in behavior. Here, we used a data-driven strategy to extract features from neurophysiological data of n = 240 healthy young individuals who performed a Go/Nogo task and used machine learning methods in combination with source localization to identify the best predictors of inter-individual performance variations. Both Nogo-N2 and Nogo-P3 yielded predictions close to chance level, but a feature in between those two processes, associated with motor cortex activity (BA4), predicted group membership with up to ~68%. We further found two Nogo-associated features in the theta and alpha bands, that predicted behavioral performance with up to ~78%. Notably, the theta band feature contributed most to the prediction and occurred at the same time as the predictive ERP feature. Our approach provides a rigorous test for established neurophysiological correlates of response inhibition and suggests that other processes, which occur in between the Nogo-N2 and P3, might be of equal, if not even greater, importance.
Cultural variation in cognitive flexibility reveals diversity in the development of executive functions
Authors: Legare Cristine H. , Dale Michael T. , Kim Sarah Y. , Deák Gedeon O.
Published: October 2018

Cognitive flexibility, the adaptation of representations and responses to new task demands, improves dramatically in early childhood. It is unclear, however, whether flexibility is a coherent, unitary cognitive trait, or is an emergent dimension of task-specific performance that varies across populations with divergent experiences. Three- to 5-year-old English-speaking U.S. children and Tswana-speaking South African children completed two distinct language-processing cognitive flexibility tests: the FIM-Animates, a word-learning test, and the 3DCCS, a rule-switching test. U.S. and South African children did not differ in word-learning flexibility but showed similar age-related increases. In contrast, U.S. preschoolers showed an age-related increase in rule-switching flexibility but South African children did not. Verbal recall explained additional variance in both tests but did not modulate the interaction between population sample (i.e., country) and task. We hypothesize that rule-switching flexibility might be more dependent upon particular kinds of cultural experiences, whereas word-learning flexibility is less cross-culturally variable.
Author Correction: The digital scribe
Authors: Coiera Enrico , Kocaballi Baki , Halamka John , Laranjo Liliana
Published: October 2018

The original version of the published Article contained an error in the spelling of the third Author’s name. “John Halamaka” has been changed to “John Halamka”. This has been corrected in the HTML and PDF version of the Article.
Elevated atmospheric CO2 promoted speciation in mosquitoes (Diptera, Culicidae)
Authors: Tang Chufei , Davis Katie E. , Delmer Cyrille , Yang Ding , Wills Matthew A.
Published: October 2018

Mosquitoes are of great medical significance as vectors of deadly diseases. Despite this, little is known about their evolutionary history or how their present day diversity has been shaped. Within a phylogenetic framework, here we show a strong correlation between climate change and mosquito speciation rates: the first time to our knowledge such an effect has been demonstrated for insects. Information theory reveals that although climate change is correlated with mosquito evolution there are other important factors at play. We identify one such driver to be the rise of mammals, which are predominant hosts of Culicidae. Regardless of the precise mechanism, we demonstrate a strong historical association. This finding, taken in combination with projected rises in atmospheric CO2 from anthropogenic activity, has important implications for culicid vector distributions and abundance, and consequently for human health.
LogMPIE, pan-India profiling of the human gut microbiome using 16S rRNA sequencing
Authors: Dubey Ashok Kumar , Uppadhyaya Niyati , Nilawe Pravin , Chauhan Neeraj , Kumar Santosh , Gupta Urmila Anurag , Bhaduri Anirban
Published: October 2018

The “Landscape Of Gut Microbiome - Pan-India Exploration”, or LogMPIE study, is the first large-scale, nationwide record of the Indian gut microbiome. The primary objective of the study was to identify and map the Indian gut microbiome baseline. This observational study was conducted across 14 geographical locations in India. Enrolled subjects were uniformly distributed across geographies (north, east, west and south) and body mass index (obese and non-obese). Furthermore, factors influencing the microbiome, such as age and physical activity, were also considered in the study design. The LogMPIE study recorded data from 1004 eligible subjects and reported 993 unique microorganisms across the Indian microbiome diaspora. The data not only map the Indian gut microbiome baseline but also function as a useful resource to study, analyse and identify signatures characterizing the physiological dispositions of the subjects. Furthermore, they provide insight into the unique features describing the Indian microbiome. The data are open and may be accessed from the European Nucleotide Archive (ENA) portal of the European Bioinformatics Institute (https://www.ebi.ac.uk/ena/data/view/PRJEB25642).
Cerebrospinal fluid levels of alpha-synuclein measured using a poly-glutamic acid-modified gold nanoparticle-doped disposable neuro-biosensor system
Authors: Sonuç Karaboğa Münteha Nur , Sezgintürk Mustafa Kemal
Published: October 2018

A gold nanoparticle and polyglutamic acid-modified ITO-based biosensor system to detect alpha-synuclein, an important biomarker of Parkinson's disease.
Application of ion pair chromatography coupled with mass spectrometry to assess antisense oligonucleotides concentrations in living cells
Authors: Studzińska Sylwia , Cywoniuk Piotr , Sobczak Krzysztof
Published: October 2018

UHPLC ESI-MS/MS was used for the first time in the analysis of antisense oligonucleotides in total RNA extracts.
Direct aqueous injection of the fluoroacetate anion in potable water for analysis by liquid chromatography tandem mass-spectrometry
Authors: Parry Emily , Willison Stuart A.
Published: October 2018

Sodium fluoroacetate or Compound 1080 is a rodenticide registered in the United States for use in livestock protection collars.
Iron-catalyzed synthesis of cyclopropanes by in situ generation and decomposition of electronically diversified diazo compounds
Authors: Allouche Emmanuelle M. D. , Al-Saleh Afnan , Charette André B.
Published: October 2018

The modular synthesis of a variety of trans 1,2-disubstituted cyclopropanes in a one-pot iron-catalyzed cyclopropanation is described. N-nosylhydrazones are used as diazo precursors, allowing the in situ generation of electron-rich diazo compounds and their direct participation in the reaction.
Anin situSERS study of ionic transport and the Joule heating effect in plasmonic nanopores
Authors: Yang Jin-Mei , Pan Zhong-Qin , Qin Fei-Fei , Chen Ming , Wang Kang , Xia Xing-Hua
Published: October 2018

The ionic transport behaviour as well as temperature change caused by the Joule heating effect in plasmonic nanopores is studied byin situSERS measurement.
Methylene insertion into an Fe2S2 cluster: formation of a thiolate-bridged diiron complex containing an Fe–CH2–S moiety
Authors: Su Linan , Yang Dawei , Zhang Yixin , Wang Baomin , Qu Jingping
Published: October 2018

Cleavage of both C−Cl bonds in CH2Cl2 by a reduced iron–sulfur cluster induced unexpected methylene insertion into the Fe–S bond.
Pillararene-based supramolecular polymers
Authors: Li Hui , Yang Ying , Xu Fenfen , Liang Tongxiang , Wen Herui , Tian Wei
Published: October 2018

The feature paper gives an overview of the preparation of pillararene-based supramolecular polymers and covers recent research advance and future trends of pillararene-based host–guest pairs, assembly methods, topological architectures, stimuli-responsiveness, and functional features.
Ambient condition retention of band-gap tuning in MAPbI3 induced by high pressure quenching
Authors: Bonomi Sara , Tredici Ilenia , Albini Benedetta , Galinetto Pietro , Rizzo Aurora , Listorti Andrea , Tamburini Umberto Anselmi , Malavasi Lorenzo
Published: October 2018

In the present work, we show a successful approach to achieve stable structural and optical changes induced by pressure on bulk amounts of MAPI after pressure release.
(Lu0.3Gd0.7)2SiO5:Y3+ single crystals grown by the laser floating zone method: structural and optical studies
Authors: Rey-García F. , Rodrigues J. , Fernandes A. J. S. , Soares M. R. , Monteiro T. , Costa F. M.
Published: October 2018

Laser floating zone growth of transparent Y0.05:(Lu0.3Gd0.7)2SiO5 single crystals suitable as laser host materials.
Precursor purity effects on solution-based growth of MAPbBr3 single crystals towards efficient radiation sensing
Authors: Tisdale Jeremy T. , Smith Travis , Salasin John Robert , Ahmadi Mahshid , Johnson Nathan , Ievlev Anton V. , Koehler Michael , Rawn Claudia J. , Lukosi Eric , Hu Bin
Published: October 2018

In low purity crystals, (bottom) smaller more disordered crystallite sizes lead to increased charge trapping, compared to high purity (top).
Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
Authors: Mahmoudi Ghodrat , Khandar Ali Akbar , Afkhami Farhad Akbari , Miroslaw Barbara , Gurbanov Atash V. , Zubkov Fedor I. , Kennedy Alan , Franconetti Antonio , Frontera Antonio
Published: October 2018

We report the synthesis and X-ray characterization and theoretical study of two Hg(ii) complexes with pincer-type isonicotinohydrazone Schiff base ligands to analyze chelate-ring π-stacked assemblies.
Cooperative effects of metal cations and coordination modes on luminescent s-block metal–organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol
Authors: Li Cheng , Deng Zhao-Peng , Huo Li-Hua , Gao Shan
Published: October 2018

Thirteen s-block metal–organic complexes with different supramolecular networks arising from the coordination modes of the ligands and properties of the metal cations have been synthesized and exhibit violet and blue luminescence in the solid state at room temperature.
A HElium NanoDroplet Isolation (HENDI) investigation of the weak hydrogen bonding in the propyne dimer (CH3CCH)2
Authors: Gutiérrez-Quintanilla A. , Briant M. , Mengesha E. , Gaveau M.-A. , Mestdagh J.-M. , Soep B. , Crépin C. , Poisson L.
Published: October 2018

A HElium Nanodroplet Isolation (HENDI) experiment was performed to explore the absorption spectra of the propyne monomer (CH3CCH), dimer and (CH3CCH)≥3 multimers in the vicinity of the CH stretch region ν1 of the monomer.
Excited state dynamics study of the self-trapped exciton formation in silicon nanosheets
Authors: Ullah Naeem , Chen Shunwei , Zhang Ruiqin
Published: October 2018

After excitation to S1 (1), the exciton takes ∼450–850 femtoseconds to relax into the self-trapped (ST) state (2) with the occurrence of strong localization and a large Stokes shift, due to the significant stretching of the Si–Si bonds.
Effect of the degree of inversion on optical properties of spinel ZnFe2O4
Authors: Granone Luis I. , Ulpe Anna C. , Robben Lars , Klimke Stephen , Jahns Moritz , Renz Franz , Gesing Thorsten M. , Bredow Thomas , Dillert Ralf , Bahnemann Detlef W.
Published: October 2018

The effect of the degree of inversion on the electronic transitions and the Raman scattering of ZnFe2O4 is revealed.
Coarse-grained residue-based models of disordered protein condensates: utility and limitations of simple charge pattern parameters
Authors: Das Suman , Amin Alan N. , Lin Yi-Hsuan , Chan Hue Sun
Published: October 2018

Simple models offer essential insights into sequence-dependent phase-separating assembly of biomolecular condensates.
Electronic and thermoelectric properties of Zn and Se double substituted tetrahedrite
Authors: Tippireddy Sahil , Chetty Raju , Raut Krushna Kumari , Naik Mit H. , Mukharjee Prashanta K. , Jain Manish , Nath R. , Wojciechowski Krzysztof , Mallik Ramesh Chandra
Published: October 2018

The influence of Zn and Se double substitution on the electronic and thermoelectric properties of tetrahedrite is investigated in this study.
Structures and properties of large supramolecular coordination complexes predicted with the generalized energy-based fragmentation method
Authors: Yuan Dandan , Li Yunzhi , Li Wei , Li Shuhua
Published: October 2018

The generalized energy-based fragmentation (GEBF) method has been extended to facilitate ab initio calculations of large supramolecular coordination complexes.
Structural and electronic properties of a van der Waals heterostructure based on silicene and gallium selenide: effect of strain and electric field
Authors: Le P. T. T. , Hieu Nguyen N. , Bui Le M. , Phuc Huynh V. , Hoi Bui D. , Amin B. , Nguyen Chuong V.
Published: October 2018

Combining van der Waals heterostructures by stacking different two-dimensional materials on top of each other layer-by-layer can enhance their desired properties and greatly extend the applications of the parent materials.
Pathways for creation and annihilation of nanoscale biomembrane domains reveal alpha and beta-toxin nanopore formation processes
Authors: Sarangi Nirod Kumar , Basu Jaydeep Kumar
Published: October 2018

Raft-like functional domains with putative sizes of 20–200 nm and which are evolving dynamically are believed to be the most crucial regions in cellular membranes which determine cell signaling and various functions of cells.
Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74
Authors: Becker Tim M. , Luna-Triguero Azahara , Vicent-Luna Jose Manuel , Lin Li-Chiang , Dubbeldam David , Calero Sofia , Vlugt Thijs J. H.
Published: October 2018

Including explicit polarization significantly improves the description of the adsorption in comparison to non-polarizable generic force fields.
Unusual dielectric response of 4-methyl-1,3-dioxolane derivatives
Authors: Rams-Baron Marzena , Jędrzejowska Agnieszka , Dulski Mateusz , Wolnica Kamila , Geirhos Korbinian , Lunkenheimer Peter , Paluch Marian
Published: October 2018

In this paper, we applied broadband dielectric spectroscopy (BDS) to investigate the molecular dynamics of three 4-methyl-1,3-dioxolane derivatives (MD) whose chemical structures differ in the length of non-polar alkyl side chains.
Intrinsic photophysics of nitrophenolate ions studied by cryogenic ion spectroscopy
Authors: Dodson Leah G. , Zagorec-Marks Wyatt , Xu Shuang , Smith James E. T. , Weber J. Mathias
Published: October 2018

The intrinsic photophysics of nitrophenolate isomers (meta, para, and ortho) was studied at low temperature using photodissociation mass spectrometry in a cryogenic ion trap instrument.
Photoactive metal–organic framework as a bifunctional material for 4-hydroxy-4′-nitrobiphenyl detection and photodegradation of methylene blue
Authors: Xia Lingling , Ni Jiawen , Wu Pengyan , Ma Ju , Bao Liang , Shi Yanhui , Wang Jian
Published: October 2018

A photoactive MOF showed ultra-selectivity and sensitivity towards 4-hydroxy-4′-nitrobiphenyl (HNBP) with a LOD of around 50 nM and highly efficient photocatalytic activity for the photodegradation of methylene blue.
Searching for relevant criteria to distinguish natural vs. anthropogenic TiO2 nanoparticles in soils
Authors: Pradas del Real Ana Elena , Castillo-Michel Hiram , Kaegi Ralf , Larue Camille , de Nolf Wout , Reyes-Herrera Juan , Tucoulou Rémi , Findling Nathaniel , Salas-Colera Eduardo , Sarret Géraldine
Published: October 2018

The morphology of TiO2 particles and their status within soil aggregates may provide insights on their origin.
Electron-induced molecular dissociation at a surface leads to reactive collisions at selected impact parameters
Authors: Anggara Kelvin , Leung Lydie , Timm Matthew J. , Hu Zhixin , Polanyi John C.
Published: October 2018

A collimated beam of ‘projectiles’ strikes a chemisorbed ‘target’ thereby selecting the impact parameter, achieving an elusive goal of reaction dynamics.
Determination of lead isotope ratios in Mn–Fe-rich nodules by laser ablation multi-collector inductively coupled plasma mass spectrometry
Authors: Bao Zhian , Zong Chunlei , Chen Lu , Lei Danbo , Chen Kaiyun , Yuan Honglin
Published: October 2018

In this study, Pb isotope ratios in ferromanganese nodules were determined with good repeatability and minimum laboratory bias using laser ablation multi-collector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS).
Elemental characterisation of the pyramidal neuron layer within the rat and mouse hippocampus
Authors: Hackett M. J. , Hollings A. , Caine S. , Bewer B. E. , Alaverdashvili M. , Takechi R. , Mamo J. C. L. , Jones M. W. M. , de Jonge M. D. , Paterson P. G. , Pickering I. J. , George G. N.
Published: October 2018

X-ray fluorescence microscopy reveals unique elemental signatures within sub-populations of hippocampal pyramidal neurons.
Modular assembly of plasmonic core–satellite structures as highly brilliant SERS-encoded nanoparticles
Authors: Pazos-Perez Nicolas , Fitzgerald Jamie M. , Giannini Vincenzo , Guerrini Luca , Alvarez-Puebla Ramon A.
Published: October 2018

Herein, we present a fabrication approach that produces homogeneous core–satellite SERS encoded particles with minimal interparticle gaps (<2–3 nm) and maximum particle loading, while positioning the encoding agents at the gaps.
Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic
Authors: Jurásek Bronislav , Králík František , Rimpelová Silvie , Čejka Jan , Setnička Vladimír , Ruml Tomáš , Kuchař Martin , Kohout Michal
Published: October 2018

Deschloroketamine has been synthesized, the absolute configuration of enantiomers elucidated and the in vitro cytotoxicity of the enantiomers determined using nine different cell lines.
Iron molybdenum nitrilotriacetate and iminodiacetate – spectroscopy, structural characterization and CO2 adsorption
Authors: Wang Si-Yuan , Dong Xin , Chen Jun-Fei , Zhou Zhao-Hui
Published: October 2018

The tetranuclear iron molybdate Na6[(MoO2)2O2Fe2(nta)4]·16H2O (1) and its isomorphous complexes form 2D water layer structures in a modular manner, and a decanuclear heterometallic polymer, [(MoO4)2FeII4FeIII4(ida)8]n (2), contains an interesting cubic 3D microporous structure with a 3.3 Å diameter hole and can adsorb a small amount of CO2.
Ultrasound-assisted synthesis of a feathery-shaped BiOCl with abundant oxygen vacancies and efficient visible-light photoactivity
Authors: Sun Jingyu , Xu Haiming , Li Dongya , Zou Zhongwei , Wu Qiyuan , Liu Guoguan , Yang Jia , Sun Lei , Xia Dongsheng
Published: October 2018

A feathery-shaped form of BiOCl (BOC-M) with a high concentration of oxygen vacancies was successfully synthesized using the ultrasound method at room temperature with maltitol as a surfactant.
Amino acid appended perylene bisimides: self-assembly, immobilization on nanocrystalline TiO2, and electrochromic properties
Authors: Lundy Ross , Draper Emily R. , Walsh James J.
Published: October 2018

Titanium dioxide (TiO2) nanoparticle films have been used as a conducting support for the immobilisation of alanine-appended perylene bisimides (PBI-A) via dip-coating and carboxylate chemisorption.
Synergic effect on oxygen reduction reaction of strapped iron porphyrins polymerized around carbon nanotubes
Authors: Hanana Manel , Arcostanzo Hélène , Das Pradip K. , Bouget Morgane , Le Gac Stéphane , Okuno Hanako , Cornut Renaud , Jousselme Bruno , Dorcet Vincent , Boitrel Bernard , Campidelli Stéphane
Published: October 2018

Carbon nanotube-strapped iron porphyrin hybrids have been synthesized and their electrocatalytic activities for the oxygen reduction reaction have been investigated.
Copper(i)-based oxidation of polycyclic aromatic hydrocarbons and product elucidation using vacuum ultraviolet spectroscopy and theoretical spectral calculations
Authors: Ponduru Tharun T. , Qiu Changling , Mao James X. , Leghissa Allegra , Smuts Jonathan , Schug Kevin A. , Dias H. V. Rasika
Published: October 2018

Fluorinated 1,3,5-triazapentadienyl complexes of copper catalyze the oxidation PAHs to quinones using H2O2as an oxidant under mild conditions.
Rare azido and hydroxido bridged tetranuclear Co(ii) complexes of a polynucleating Mannich base ligand with a defect dicubane core: structures, magnetism and phenoxazinone synthase like activity
Authors: Das Avijit , Goswami Soumyabrata , Ghosh Ashutosh
Published: October 2018

Triply azido/hydroxido bridged defect dicubane tetranuclear Co(ii) complexes of a Mannich base ligand show ferromagnetic/antiferromagnetic coupling and phenoxazinone synthase like activity.
Magnetization reversal of ferromagnetic nanosprings affected by helical shape
Authors: Nam Da Yeon , Samardak Aleksei Yu. , Jeon Yoo Sang , Kim Su Hyo , Davydenko Alexander V. , Ognev Alexey V. , Samardak Alexander S. , Kim Young Keun
Published: October 2018

Helical magnetic nanosprings are unique objects. We investigate magnetic properties of Co and CoFe nanospring as well as nanowire arrays.
Moisture-responsive supramolecular nanotubes
Authors: Ding Wuxiao , Wu Dongwei , Kameta Naohiro , Wei Qingshuo , Kogiso Masaki
Published: October 2018

Supramolecular nanotubes self-assembled from metal-coordinated peptide lipids show moisture-responsive morphological changes and release of fragrance oil under high humidity conditions.
Probing the size- and constituent-mediated mechanical properties and deformation behavior in crystalline/amorphous nanolaminates
Authors: Wang Y. Q. , Wu K. , Zhang J. Y. , Liu G. , Sun J.
Published: October 2018

The tunable mechanical properties and deformation behavior in crystalline/amorphous nanolaminates are revealed to be through cooperation between dislocations and shear transformation zones.
A carbon foam-supported high sulfur loading composite as a self-supported cathode for flexible lithium–sulfur batteries
Authors: Zhang Miao , Amin Kamran , Cheng Meng , Yuan Hongxin , Mao Lijuan , Yan Wei , Wei Zhixiang
Published: October 2018

This work reports the assembly of a carbon nanotube hybrid 3D flexible multifunctional film, which further adsorbs sulfur nanoparticles to form a flexible electrode. This electrode offers considerable potential for practical application in flexible Li–S batteries.
Donor- and acceptor-enynals/enynones
Authors: Chen Lianfen , Liu Zhili , Zhu Shifa
Published: October 2018

Three kinds of transformations based on benzo-fused donor- and acceptor-enynals/enynones, including reactions with alkenes, alkynes, and H2O, were discussed.
Influence of amide-containing side chains on the mechanical properties of diketopyrrolopyrrole-based polymers
Authors: Ocheje Michael U. , Selivanova Mariia , Zhang Song , Van Nguyen Thi Hai , Charron Brynn P. , Chuang Ching-Heng , Cheng Yu-Hsuan , Billet Blandine , Noori Suendues , Chiu Yu-Cheng , Gu Xiaodan , Rondeau-Gagné Simon
Published: October 2018

An efficient strategy to modify the mechanical properties of conjugated polymers has been developed through the incorporation of amide moieties.
Sustainable synthesis and precise characterisation of bio-based star polycaprolactone synthesised with a metal catalyst and with lipase
Authors: Baheti Payal , Gimello Olinda , Bouilhac Cécile , Lacroix-Desmazes Patrick , Howdle Steven M.
Published: October 2018

Development of a sustainable route for the synthesis of star-shaped poly(ε-caprolactone) using renewable feedstocks in clean solvents (scCO2 and bulk) with the catalysts Sn(Oct)2 or the enzyme Novozym 435.
Multicomponent spiropolymerization of diisocyanides, alkynes and carbon dioxide for constructing 1,6-dioxospiro[4,4]nonane-3,8-diene as structural units under one-pot catalyst-free conditions
Authors: Fu Weiqiang , Dong Lichao , Shi Jianbing , Tong Bin , Cai Zhengxu , Zhi Junge , Dong Yuping
Published: October 2018

A novel multicomponent spiropolymerization was developed by using diisocyanide, alkyne and CO2, and 1,6-dioxospiro[4,4]nonane-3,8-diene was instantly formed.
Enhanced performance for Eu(iii) ion remediation using magnetic multiwalled carbon nanotubes functionalized with carboxymethyl cellulose nanoparticles synthesized by plasma technology
Authors: Zong Pengfei , Cao Duanlin , Cheng Yuan , Wang Shoufang , Hayat Tasawar , Alharbi Njud S. , Guo Zhiqiang , Zhao Yaolin , He Chaohui
Published: October 2018

Synthesis of sodium carboxymethyl cellulose/iron oxides/MWCNTs composites by a plasma technique and their application to the decontamination of europium ions from aqueous solutions under controlled laboratory conditions.
Pyrene-fused PDI based ternary solar cells: high power conversion efficiency over 10%, and improved device thermal stability
Authors: Gong Yanbin , Chang Kai , Chen Cheng , Han Mengmeng , Zhan Xuejun , Min Jie , Jiao Xuechen , Li Qianqian , Li Zhen
Published: October 2018

A class of pyrene-fused PDI-NFAs are designed and synthesized for fabricating ternary OSC devices to improve the absorption in the short wavelength region, VOC and thermal stability of the ternary devices.
Retracted Article: Salvianolic acid B inhibits inflammatory response and cell apoptosisviathe PI3K/Akt signaling pathway in IL-1β-induced osteoarthritis chondrocytes
Authors: Zhu Bin , Wang Xuejian , Teng Jiawen
Published: October 2018

Osteoarthritis (OA) is the most common joint disease among late middle-aged or elderly people.
Influence of Mn on the iron-based friction material directly prepared by in situ carbothermic reaction from vanadium-bearing titanomagnetite concentrates
Authors: Shui Yue , Feng Keqin , Zhang Yanyan , Yan Zidi
Published: October 2018

In this work, we prepared an iron-based frictional material from vanadium-bearing titanomagnetite concentrates by in situ carbothermic reaction with improved tribological properties.
Coupled magnetic–elastic and metal–insulator transition in epitaxially strained SrMnO3/BaMnO3 superlattices
Authors: Wang Jin-Feng , Li Zheng , Zhuang Zhao-Tong , Zhang Yan-Ming , Zhang Jun-Ting
Published: October 2018

The epitaxial strain can induce interesting physical phase transitions in SrMnO3/BaMnO3 superlattices.
Preparation and characterization of a novel nanofiltration membrane with chlorine-tolerant property and good separation performance
Authors: Liu Yi , Lin Bo , Liu Wenchao , Li Junjun , Gao Congjie , Pan Qiaoming
Published: October 2018

High water flux, good separation property and excellent chlorine resistance are crucial factors affecting the development of nanofiltration (NF) membranes.
Sensitive and accurate detection of ALP activity using a fluorescence on–off–on switch and mass barcode signal amplification
Authors: Shu Chang , Li Duo , Li Tengfei , Ji Shunli , Ding Li
Published: October 2018

The sensitive and accurate detection of ALP activity using a fluorescence on–off–on switch and mass barcode signal amplification.
In vitro and in vivo evaluations of mechanical properties, biocompatibility and osteogenic ability of sintered porous titanium alloy implant
Authors: Li Ji , Li Zhongli , Li Ruiling , Shi Yueyi , Wang Haoran , Wang Yuxing , Jin Gong
Published: October 2018

The sintered porous Ti6Al4V with 75% porosity has optimal mechanical properties, good biocompatibility and osteogenic ability for more bone ingrowth.
Relative orientation of the carbonyl groups determines the nature of orbital interactions in carbonyl–carbonyl short contacts
Authors: Sahariah Biswajit , Sarma Bani Kanta
Published: October 2018

The nature of orbital interactions in a carbonyl–carbonyl short contact is determined by the relative orientation of the two interacting carbonyl groups.
Studying polymer solutions with particle-based models linked to classical density functionals: co-non-solvency
Authors: Zhang Jianguo , Mukherji Debashish , Kremer Kurt , Daoulas Kostas Ch.
Published: October 2018

Multicomponent polymer solutions showing co-non-solvency are studied using hybrid particle-based models liked to free-energy-like density functionals.
Inorganic separators enable significantly suppressed polysulfide shuttling in high-performance lithium–sulfur batteries
Authors: Qu Hongtao , Ju Jiangwei , Chen Bingbing , Xue Nan , Du Huiping , Han Xiaoqi , Zhang Jianjun , Xu Gaojie , Yu Zhe , Wang Xiaogang , Cui Guanglei
Published: October 2018

Porous inorganic membranes are presented as separators of lithium–sulfur batteries to anchor polysulfides and to block lithium dendrite penetration effectively.
Graphitic carbon nitride (g-C3N4) electrodes for energy conversion and storage: a review on photoelectrochemical water splitting, solar cells and supercapacitors
Authors: Safaei Javad , Mohamed Nurul Aida , Mohamad Noh Mohamad Firdaus , Soh Mohd Fairuz , Ludin Norasikin Ahmad , Ibrahim Mohd Adib , Roslam Wan Isahak Wan Nor , Mat Teridi Mohd Asri
Published: October 2018

Application of g-C3N4in energy conversion and storage such as solar to fuel conversion, solar cells and supercapacitors.
Realizing the regulated carrier separation and exciton generation of Bi24O31Cl10via a carbon doping strategy
Authors: Jin Xiaoli , Lv Chade , Zhou Xin , Zhang Congmin , Zhang Biao , Su Huan , Chen Gang
Published: October 2018

A novel carbon doping strategy induced by an organic salt is successfully developed. Improved carrier separation and exciton binding energies (Eb) are achieved on C-doped Bi24O31Cl10, which provides excellent photocatalytic CO2 reduction and persistent 1O2 generation.
TIM-3 rs1036199 polymorphism increases susceptibility to autoimmune diseases: evidence based on 4200 subjects
Authors: Liu Rongzeng , Wang Xing , Chen Xiafei , Wang Shengnan , Zhang Heqian
Published: October 2018

Conflicting results have been reported regarding differing studies on the association between T-cell immunoglobulin and mucin domain 3 polymorphisms and autoimmune disease. The purpose of the present study was to evaluate the association of TIM-3 rs1036199 (4259 G/T) polymorphism with autoimmune disease susceptibility. A meta-analysis was performed to obtain a more precise evaluation of the association. Ten eligible studies were retrieved by searching PubMed, Embase and Web of Science databases, and statistical analyses were performed using STATA software. The pooled results indicated that TIM-3 rs1036199 polymorphism was significantly associated with an increased risk of overall autoimmune disease in allele comparison (G versus T: OR = 1.59, 95%CI: 1.17–2.17) and heterozygous comparison (GT versus TT: OR = 1.68, 95%CI: 1.37–2.06). Subgroup analyses based on disease type demonstrated that TIM-3 rs1036199 polymorphism was associated with an increased risk of rheumatic arthritis (G versus T: OR = 1.88, 95%CI: 1.45–2.44; GT versus TT: OR = 2.02, 95%CI: 1.53–2.65), especially in Asian populations.
Impact of thermal annealing on internal device parameters of GaAs0.965Bi0.035/GaAs0.75P0.25 quantum well lasers
Authors: Kim Honghyuk , Guan Yingxin , Kuech Thomas F. , Mawst Luke J.
Published: October 2018

The impact of post‐growth thermal annealing on the internal device parameters such as internal loss (αi), internal differential quantum efficiency () and modal material gain (Γg0J) of a single‐quantum well (QW) laser diodes employing GaAs0.965Bi0.035/GaAs0.75P0.25 active regions and emitting near λ∼980 nm was investigated. Parameter extraction from a conventional cavity length analysis indicates that the internal loss remains unchanged while internal differential quantum efficiencies degrade as the annealing time increases. Also, the variation of the modal material gain with annealing correlates to the corresponding change in the photoluminescence intensity. Comparisons between single‐‐ and double‐QW devices indicate that the relatively high internal loss originates from the QW active region.
The influence of position of the post or its absence on the performance of the cable barrier system
Authors: Bruski Dawid , Burzyński Stanisław , Chróścielewski Jacek , Pachocki Łukasz , Wilde Krzysztof , Witkowski Wojciech
Published: October 2018

Road safety barriers are used to increase safety in potentially dangerous places on the roads. They are designed and installed on the roads to prevent any vehicle from getting outside the travelled way or from entering the opposite lane of the road. Barriers, which are used on European roads, have to undergo full scale crash tests according to the EN 1317 standards. Nowadays as a supplement to real crash tests, numerical simulations are commonly used. The work concerns the influence of position of the post or its absence on the crashworthiness of the cable barrier based on numerical study results.
On the influence of the acceleration recording time on the calculation of impact severity indexes
Authors: Pachocki Łukasz , Bruski Dawid , Burzyński Stanisław , Chróścielewski Jacek , Wilde Krzysztof , Witkowski Wojciech
Published: October 2018

The paper concerns with the analysis of normative requirements pertaining to experimental setup of a crash test and its numerical modelling. An overview of parameters describing the collision of a vehicle with a road restraining system is presented. A short description of a concrete road safety barrier is presented. A brief description of numerical modelling procedures for crash tests is given as well. The parametric influence analysis is performed of the acceleration recording time on various crash test functionality parameters The simulations are carried out using LS-DYNA finite element code with a solver version R.8.1
Lean Manufacturing Applications in the Manufacturing Industry
Authors: Nasution Abdillah Arif , Siregar Ikhsan , Anizar  , Nasution Tigor Hamonangan , Syahputri Khalida , Tarigan Indah Rizkya
Published: October 2018

This research was conducted in manufacturing industry, so this research is based on case study application. This research serves to reduce waste in the industry when making a product. This study categorizes value-added work and which work has no added value. And it is measurable and has value, so it can be evaluated in the future. Later this will be poured or depicted on a map called Value stream mapping. This is a tool from Lean Manufacturing. Lean manufacturing is useful for analysing and reducing non value-added activities, value stream mapping analysis tools, 5L1H process mapping activities, and 5 why tools. From the results of this study obtained the efficiency of the process cycle and total estimation of the improvement of the lead time. This calculation can be an evaluation material for the company.
Selection of Parameters for Blade-to-blade Finite-volume Mesh for CFD Simulation of Axial Turbines
Authors: Popov Grigorii , Matveev Valery , Baturin Oleg , Novikova Yulia , Volkov Andrey
Published: October 2018

This paper describes the first part of the global work done by the authors aimed at finding the best settings for a numerical model for the calculations of axial uncooled turbines using RANS approach. The authors studied more than 80 papers published over the past 5 years in the examined field. Their analysis did not allow to identify unified recommendations for the creation of numerical models. The selection of model parameters is usually motivated by general considerations of numerical simulation, which follow from the method. In none of the papers the selection of parameters is correlated with the structure of the flow in the turbine. Many specific simulation issues were not covered at all.

For the research, more than 1000 models of full-size axial turbines (including multistage turbines) and their elements were created. They differed in the number, size, parameters of the elements of finite volume meshes, in turbulence models, in the degree of simplification. The results were compared with the experimental data.

As a result, the following was obtained:

1. A method for developing and optimizing the working process of turbines using numerical simulation based on the RANS approach is proposed. The search for the optimal turbine configuration is carried out using light computational models, which are based on the simplified channel geometry and the finite volume mesh. Their application makes it possible to reliably find the optimal turbine configuration 2.8 times faster. The characteristics of the selected variants are verified with the help of verification models that consider the real geometry of the channels and have a minimum error.

2. Recommendations are given on the selection of parameters for finite volume meshes and the selection of turbulence models for numerical models of the working process of axial turbines designed to perform optimization and verification calculations.
Experimental Compressor Multidisciplinary Optimization Using Different Parameterization Schemes
Authors: Egorov Igor , Buyukli Tatiana , Popov Grigorii , Goriachkin Evgeni , Novikova Yulia , Volkov Andrey
Published: October 2018

The present-day compressors development is a labor-intensive problem, because compressor structure should meet different requirements to the design characteristics. It’s reasonable to find optimal combination of compressor design parameters using the mathematical optimization resources. In this paper the multi-criteria optimization of the rotor and stator blades of the experimental compressor stage NASA Rotor 37 is carried out. The goal of this work is the analysis of different blade parameterization schemes and determination of optimum number of variable parameters for compressor stage aerodynamic characteristics improvement. As an optimization criterions efficiency of compressor stage was used. Flow rate and pressure ratio values should not exceed base values more than ±0.5%. In order to research an effect of the number of variables to the optimization results, the four parameterized models were created. The optimization of the NASA Rotor 37 was carried out using all created parametric models. The models are characterized by number of variables, which describe the blade pressure and suction sides. As a result of optimization the NASA Rotor 37 version was found, which provide the efficiency increasing by approximately 2% while all aerodynamic and requirements are satisfied. It was also found, that increasing of the blade profile number of variables more than 14 is not rational.
Measuring the Torque of a Combustion Engine.
Authors: Popelka Josef , Scholz Celestýn
Published: October 2018

This paper deals with the measurement of torque using a designed torque sensor. To determine the indicated engine parameters, the torque along with the torque in the combustion space of the individual cylinders are measured. I worked on the measured values to determine the dependence of the torque moments on the engine load. The obtained data was used to assess the possible use for further measurements.