bluuebunny/crossref_metadata_2025 huggingface dataset:
The genome sequence of Streptomyces rochei 7434AN4, which carries a linear chromosome and three characteristic linear plasmids
Authors: Nindita Yosi , Cao Zhisheng , Fauzi Amirudin Akhmad , Teshima Aiko , Misaki Yuya , Muslimin Rukman , Yang Yingjie , Shiwa Yuh , Yoshikawa Hirofumi , Tagami Michihira , Lezhava Alexander , Ishikawa Jun , Kuroda Makoto , Sekizuka Tsuyoshi , Inada Kuninobu , Kinashi Haruyasu , Arakawa Kenji
Published: July 2019

Streptomyces rochei 7434AN4 produces two structurally unrelated polyketide antibiotics, lankacidin and lankamycin, and carries three linear plasmids, pSLA2-L (211 kb), -M (113 kb), and -S (18 kb), whose nucleotide sequences were previously reported. The complete nucleotide sequence of the S. rochei chromosome has now been determined using the long-read PacBio RS-II sequencing together with short-read Illumina Genome Analyzer IIx sequencing and Roche 454 pyrosequencing techniques. The assembled sequence revealed an 8,364,802-bp linear chromosome with a high G + C content of 71.7% and 7,568 protein-coding ORFs. Thus, the gross genome size of S. rochei 7434AN4 was confirmed to be 8,706,406 bp including the three linear plasmids. Consistent with our previous study, a tap-tpg gene pair, which is essential for the maintenance of a linear topology of Streptomyces genomes, was not found on the chromosome. Remarkably, the S. rochei chromosome contains seven ribosomal RNA (rrn) operons (16S-23S-5S), although Streptomyces species generally contain six rrn operons. Based on 2ndFind and antiSMASH platforms, the S. rochei chromosome harbors at least 35 secondary metabolite biosynthetic gene clusters, including those for the 28-membered polyene macrolide pentamycin and the azoxyalkene compound KA57-A.
An actionable KCNH2 Long QT Syndrome variant detected by sequence and haplotype analysis in a population research cohort
Authors: Kerr Shona M. , Klaric Lucija , Halachev Mihail , Hayward Caroline , Boutin Thibaud S. , Meynert Alison M. , Semple Colin A. , Tuiskula Annukka M. , Swan Heikki , Santoyo-Lopez Javier , Vitart Veronique , Haley Chris , Dean John , Miedzybrodzka Zosia , Aitman Timothy J. , Wilson James F.
Published: July 2019

The Viking Health Study Shetland is a population-based research cohort of 2,122 volunteer participants with ancestry from the Shetland Isles in northern Scotland. The high kinship and detailed phenotype data support a range of approaches for associating rare genetic variants, enriched in this isolate population, with quantitative traits and diseases. As an exemplar, the c.1750G > A; p.Gly584Ser variant within the coding sequence of the KCNH2 gene implicated in Long QT Syndrome (LQTS), which occurred once in 500 whole genome sequences from this population, was investigated. Targeted sequencing of the KCNH2 gene in family members of the initial participant confirmed the presence of the sequence variant and identified two further members of the same family pedigree who shared the variant. Investigation of these three related participants for whom single nucleotide polymorphism (SNP) array genotypes were available allowed a unique shared haplotype of 1.22 Mb to be defined around this locus. Searching across the full cohort for this haplotype uncovered two additional apparently unrelated individuals with no known genealogical connection to the original kindred. All five participants with the defined haplotype were shown to share the rare variant by targeted Sanger sequencing. If this result were verified in a healthcare setting, it would be considered clinically actionable, and has been actioned in relatives ascertained independently through clinical presentation. The General Practitioners of four study participants with the rare variant were alerted to the research findings by letters outlining the phenotype (prolonged electrocardiographic QTc interval). A lack of detectable haplotype sharing between c.1750G > A; p.Gly584Ser chromosomes from previously reported individuals from Finland and those in this study from Shetland suggests that this mutation has arisen more than once in human history. This study showcases the potential value of isolate population-based research resources for genomic medicine. It also illustrates some challenges around communication of actionable findings in research participants in this context.
Previous contraceptive treatment relates to grey matter volumes in the hippocampus and basal ganglia
Authors: Pletzer Belinda , Harris TiAnni , Hidalgo-Lopez Esmeralda
Published: July 2019

Oral contraceptive (OC) effects on the brain have gained increasing interest, but are highly controversial. Previous studies suggest that OC users have larger hippocampi, parahippocampi, fusiform gyri and Cerebelli. Preliminary evidence from one of those studies even suggests an effect of previous contraceptive use on the hippocampi of women who are not current users of OCs. Furthermore, more recent studies postulate an involvement of previous OC treatment in later development of mood disorders. To address the question whether previous OC treatment affects women’s brain structure later in life, high resolution structural images were obtained from 131 naturally cycling women. Among them, 52 women had never used OC before, 52 had previously used one OC for a continuous time period and 27 had previously used multiple contraceptives. The groups did not differ in gray matter volumes. Since endogenous sex hormones modulate gray matter volumes of the hippocampus and basal ganglia along the menstrual cycle, we hypothesize effects of OC use on these areas. Specifically, we hypothesize that a longer duration of previous OC treatment is related to larger hippocampi and larger basal ganglia. Indeed we found the duration of previous OC use to be positively correlated to hippocampal and basal ganglia volumes bilaterally. For the hippocampus, but not for the basal ganglia, this association disappeared after controlling for the time since discontinuation. These results suggest that for the hippocampus, but not for the basal ganglia, effects of previous contraceptive treatment are reversed after a time period comparable to treatment duration. These data question the immediate reversibility of OC effects on brain structure. Accordingly, some changes in the brain due to long-term contraceptive use, while subtle, may be long-lasting.
Acute restraint stress reverses impaired LTP in the hippocampal CA1 region in mouse models of Alzheimer’s disease
Authors: Wang Ming , Ramasamy Vijay Sankar , Samidurai Manikandan , Jo Jihoon
Published: July 2019

Acute stress facilitates long-term potentiation (LTP) in the mouse hippocampus by modulating glucocorticoid receptors and ion channels. Here, we analysed whether this occurs in mouse models of Alzheimer’s disease (AD) with impaired LTP induction. We found that a brief 30 min restraint stress protocol reversed the impaired LTP assessed with field excitatory postsynaptic potential recordings at cornu ammonis 3-1 (CA3-CA1) synapses in both Tg2576 and 5XFAD mice. This effect was accompanied by increased phosphorylation and surface expression of glutamate A1 (GluA1) -containing α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors (AMPARs). Moreover, enhanced LTP induction and GluA1 phosphorylation were sustained up to 4 h after the stress. Treatment with 200 nM dexamethasone produced similar effects in the hippocampi of these mice, which supports the glucocorticoid receptor-mediated mechanism in these models. Collectively, our results demonstrated an alleviation of impaired LTP and synaptic plasticity in the hippocampal CA1 region following acute stress in the AD mouse models.
Novel biotechnological glucosylation of high-impact aroma chemicals, 3(2H)- and 2(5H)-furanones
Authors: Effenberger Isabelle , Hoffmann Thomas , Jonczyk Rafal , Schwab Wilfried
Published: July 2019

Glucosyltransferases are versatile biocatalysts to chemically modify small molecules and thus enhance their water solubility and structural stability. Although the genomes of all organisms harbor a multitude of glucosyltransferase genes, their functional characterization is hampered by the lack of high-throughput in-vivo systems to rapidly test the versatility of the encoded proteins. We have developed and applied a high-throughput whole cell biotransformation system to screen a plant glucosyltransferase library. As proof of principle, we identified 25, 24, 15, and 18 biocatalysts transferring D-glucose to sotolone, maple furanone, furaneol and homofuraneol, four highly appreciated flavor compounds, respectively. Although these 3(2H)- and 2(5H)-furanones have extremely low odor thresholds their glucosides were odorless. Upscaling of the biotechnological process yielded titers of 5.3 and 7.2 g/L for the new to nature β-D-glucopyranosides of sotolone and maple furanone, respectively. Consequently, plant glucosyltransferase show stunning catalytic activities, which enable the economical production of novel and unexplored chemicals with exciting new functionalities by whole-cell biotransformation.
Large area growth of few-layer In2Te3 films by chemical vapor deposition and its magnetoresistance properties
Authors: Zhang Shaohui , Zhang Jingyang , Liu Baosheng , Jia Xiaobo , Wang Guofu , Chang Haixin
Published: July 2019

In this work we report a facile route to grow large area, uniform, continuous and few-layer α-In2Te3 film via chemical vapor deposition (CVD) methods. The characterizations show the large area of CVD-grown few-layer α-In2Te3. This method guarantees the precise control of thickness down to few layers and large area preparation. The magnetoresistance (MR) properties of few-layer In2Te3 was investigated from 2 to 300 K and its MR stability under long exposure to ambient air was studied for the first time. Few-layer of α-In2Te3 shows a positive MR and the largest transverse MR was observed to about 11% at 2 K and a high stability of MR to long time exposure in air up to 21 weeks.
Applications of NMR in Polymer Characterization – An Introduction
Authors: Saalwächter Kay
Published: July 2019

The field “polymer NMR” does not refer to a single methodology, owing to the wide range of structural and dynamic features of synthetic as well as natural polymers. Depending on whether just the chemical make-up or actual properties of a specific material and its unique morphology are to be characterized, one must employ widely different NMR methods. This introductory chapter gives an overview of the variety of polymer materials and the NMR approaches suitable to tackle different characterization tasks, and thus provides the background for the more recent developments presented in the chapters of this book. Special emphasis is devoted to the challenges arising from molecular dynamics over vastly different timescales, the appearance of nanometre-scale morphological features and, in combination, spatially heterogeneous dynamics. Examples from the author's work include the use of low-resolution (possibly low-field) proton-based methods for the study of chain dynamics in semicrystalline and surface-confined polymers and networks, as well as entangled polymer melts.
Application of STD NMR in Organic/Inorganic Polymer Materials
Authors: Suzuki Yu
Published: July 2019

Although saturation transfer difference (STD) NMR spectroscopy was developed with the aim of detecting the binding of small molecules to target receptor proteins, it has increasingly been applied to a wider range of materials, including synthetic polymers, colloidal dispersions and inorganic nanoparticles. Here the STD NMR technique is briefly described, and some applications of STD NMR in organic/inorganic polymer materials are introduced. STD NMR has been used for several motivations: to detect the binding sites of small molecules bound specifically to polymers, to search for different types of substances that have a high affinity for polymer beads, and to determine the binding mode and the dissociation constant of small molecules bound to colloidal dispersions or nanoparticles in aqueous solution.
Diffusion and Relaxometry to Study Carbohydrates Dissolved in Ionic Liquids
Authors: Ezzawam W. M. , Ries M. E.
Published: July 2019

Solutions of xylan and xylose in 1-ethyl-3-methylimidazolium acetate [C2mim] [OAc], a room temperature ionic liquid, were examined across a range of temperatures (20°C–70 °C) using: NMR spectroscopy; diffusion; low-field (20 MHz) spin–lattice and spin–spin relaxation times; and rheological measurements through the zero shear rate viscosity. The addition of xylose and xylan affect the mobility of the ions, with a decrease occurring when the carbohydrate concentration is increased. The ratio of the diffusion coefficients for the anion to the cation remained constant upon the addition of both xylan and xylose, showing that the anion and cation were equally affected by the presence of the carbohydrate. The translational diffusion motion of the ions in the xylose solutions were similar in value to published results for cellobiose, which we explain in terms of the number of available carbohydrate OH groups that the ions are interacting with. We observe from the various NMR results that the dissolving mechanism of xylan in [C2mim] [OAc] is similar to that for cellulose.
HR-MAS NMR Characterization of Thermo-responsive Polymer Gels: Network Collapse Dynamics and Intermolecular Interactions
Authors: Liu Biaolan , Feng Jiwen
Published: July 2019

High resolution magic angle spinning (HR-MAS) NMR techniques provide effective atomic level characterization methods for heterogeneous systems such as tissues and polymer gels by sufficiently reducing the line broadening caused by the residual dipolar couplings or chemical shift anisotropy. In this chapter, the recent progress in HR-MAS NMR characterization of polymer gels is summarized. In particular, HR-MAS NMR methods for probing the network collapse dynamics and intermolecular interactions in thermo-responsive polymer gel systems are overviewed.
Polymer Blends, Nanocomposites, Rubbers and π-Conjugated Polymers
Authors: Asano A.
Published: July 2019

This chapter presents the solid-state NMR investigations of polymer mixture materials, such as polymer blends and composites with inorganic fillers, rubbers and synthetic functional π-conjugate polymers. They are poly(metacrylic acid)/poly(vinyl acetate) (PMAA/PVAc) blends, polyketone/polyamide (PK/PA) alloys, polyurethane/silk fibroin (PU/SF) blends, poly(vinyl alcohol)/clay (PVA/clay) nanocomposites, nylon-6/montmorillonite-clay (nylon-6/MMT) nanocomposites, polystyrene-poly(ethylene oxide) block copolymer/hectorite-clay (PS-PEO/HCT) nanocomposites, styrene-butadiene rubbers (SBR), acrylonitrile-butadiene rubbers (NBR), natural rubbers (NR) and π-conjugated microporous polymers (CMP). Quantitative analyses of inter-polymer hydrogen bonding, which makes 13C chemical shifts move toward the lower field, the humidity effect on 13C NMR spectra, the blending effect on the stability of the crystalline phase and the effect of 1H spin diffusion on 1H spin–lattice relaxation are introduced. The interaction between polymer chains and inorganic clay layers is also exhibited. Heteronuclear correlation NMR spectroscopy shows a proof of existence of the interactions between polymers and clay layers. Stability of the organic modifier treated on the clay surface is described. The paramagnetic source naturally contained in clay layers is useful to evaluate the stability of organic modifiers. For rubbers, it is introduced that the molecular motion and the chain direction are significantly affected by fast magic-angle spinning (MAS). The degradation of rubber seals is also discussed with 1H spin–spin relaxation. Finally, the structural analysis of two kinds of CMPs by 19F–13C CPMAS NMR experiments is touched upon briefly.
NMR Investigations of Interfaces in Tapered and Inverse-tapered Copolymers in the Solid State
Authors: Pickering Nathan T. , White Jeffery L.
Published: July 2019

A review of recent literature reveals that magnetic resonance experiments can quantify interfacial chain content in tapered and inverse-tapered copolymers in their end-use, solid-state forms. Chemically dissimilar chain segments organize into nanoscale domains according to copolymer chain structure, sizes for which depend upon whether diblock or multiblock versions of discrete, tapered, or inverse-tapered chain designs are used. Broad calorimetric glass-transitions can be further resolved through variable-temperature solid-state MAS NMR methods, revealing that some high-Tg components in copolymers can exhibit dynamics usually associated with low-Tg polymers, while some low-Tg components can exhibit chain dynamics characteristic of high-Tg polymer segments. The amount, distribution, and temperature-dependence of this dynamic and compositional heterogeneity can be systematically varied for copolymers with the same chemical composition by tailoring the arrangement of monomers in the chain. In sequence-controlled copolymers of styrene and butadiene, comparison to microscopy data indicates that solid-state NMR methods can quickly and non-invasively yield reasonable estimates of interphase fractions by quantifying “rigid butadiene” and “mobile styrene” segments in their tapered and inverse-tapered copolymers. These developments in which solid-state NMR has been used to understand relationships between chain structure, overall morphology, and differential ordering and dynamics within and between interfaces resulting from sequence-controlled polymerizations are reviewed and described in a format suitable for non-NMR specialists.
Dipolar Based NMR Methods for Probing Intermediate Regime Motions in Polymers
Authors: Filgueiras Jefferson G. , Cobo Marcio F. , Faria Gregório C. , Moraes Tiago B. , de Azevedo Eduardo R.
Published: July 2019

This chapter is dedicated to the discussion of some dipolar based solid-state NMR methods that can be used to probe molecular motions in polymers. The focus is on methods to study the so-called intermediate regime motions, i.e., occurring with motional rates from kHz to MHz. In the first part, 1H time domain NMR methods performed at low magnetic field are presented as a first approach to identify and characterize intermediate regime molecular motions. The use of methods such as Magic Sandwich Echoes (MSE) and Dipolar Filters (DF) to determine onset temperatures, motional rates and their distributions as well as activation energies of molecular motions is discussed in more detail. In the second part, 1H–13C Dipolar Chemical Shift Correlation (DIPSHIFT) MAS experiments are presented as an alternative to study intermediate regime motions with site-specific information, which is important when local molecular motion is of interest. As examples, the application of these methods to study many types of motion in different polymer systems is presented and discussed. Based on that, the combination of 1H TD-NMR at low magnetic field and 13C MAS NMR spectroscopy at high magnetic field is presented as an efficient way for characterizing molecular mobility and its temperature dependence.
NMR Characterization of Silk
Authors: Guo Chengchen , Yarger Jeffery L.
Published: July 2019

Silk is a protein-based natural polymer that has attracted considerable attention in recent research due to its outstanding mechanical properties and broad applications in biomedical research. This chapter presents an overview of NMR techniques used for elucidating the molecular structures and dynamics of silk, with a primary focus on silkworm silk, spider silk, and silk-mimic peptides. The rapid NMR technology development allows opportunities not only for characterizing structures of silk materials at high molecular/atomic resolution, but also for studying the silk protein dynamics and structural transition of silk protein in vivo and in vitro In this chapter, several recently developed NMR techniques along with classical techniques are discussed.
Very Fast MAS NMR >60 kHz for Structural Elucidation
Authors: Nishiyama Yusuke , Duong Nghia Tuan , Hong You-lee
Published: July 2019

Recent progress of fast MAS technology drives diverse methodological developments of solid-state NMR and applications to various systems including polymer, pharmaceutical compounds, biological molecules, etc. Fast MAS is beneficial to systems with large anisotropies and spin networks with intense homonuclear interactions. In addition, the small rotor size associated with the fast MAS probe allows the analysis of volume limited samples. First, fast MAS application to large anisotropies which MAS averages out is presented. Then, 1H NMR at very fast MAS rate is discussed. High-resolution 1H NMR, 1H/1H homonuclear correlation, 1H–1H distance measurements, 1H chemical shift anisotropy determination and indirect detection of insensitive nuclei are introduced.
Chitosan/hydroxyapatite modified carbon/carbon composites: synthesis, characterization and in vitro biocompatibility evaluation
Authors: Wang Wenbo , Cao Ning , Dong Jianwen , Boukherroub Rabah , Liu Wei , Li Yujie , Cong Haibo
Published: July 2019

Carbon/carbon composite (C/C), due to its bio-inert property, is prone to cause bone consolidation defects and bacterial infections in clinical applications.
Influence of antibody immobilization strategy on carbon electrode immunoarrays
Authors: Sharafeldin Mohamed , McCaffrey Kira , Rusling James F.
Published: July 2019

The influence of antibody attachment method, orientation and two nanostructured films on immunoarray sensor performance was critically evaluated.
Preparative separation of flavonoid glycosides and flavonoid aglycones from the leaves of Platycladus orientalis by REV-IN and FWD-IN high-speed counter-current chromatography
Authors: Liu Qian , Geng Yanling , Wang Xiao , Li Jia , Yu Jinqian
Published: July 2019

Three flavonoid glycosides and four flavonoid aglycones were isolated and purified for the first time from the leaves of Platycladus orientalis via two different elution modes of high-speed counter-current chromatography.
Quantitative detection of severe fever with thrombocytopenia syndrome virus via electrochemiluminescence immunoassay
Authors: Liang Xiu-Li , Liu Jin-Xia , Jiao Yong-Jun , Zhu Jin , Ding Shou-Nian
Published: July 2019

Quantitative detection of SFTSV was reported for the first time via the electrochemiluminescence technique.
Dual bioresponsive antibiotic and quorum sensing inhibitor combination nanoparticles for treatment of Pseudomonas aeruginosa biofilms in vitro and ex vivo
Authors: Singh Nishant , Romero Manuel , Travanut Alessandra , Monteiro Patricia F. , Jordana-Lluch Elena , Hardie Kim R. , Williams Paul , Alexander Morgan R. , Alexander Cameron
Published: July 2019

Nanoparticles combining Quorum Sensing Inhibitors and anti-bacterials can eradicate biofilm growth in vitro and ex vivo.
Correction: An organic-base catalyzed asymmetric 1,4-addition of tritylthiol to in situ generated aza-o-quinone methides at the H2O/DCM interface
Authors: Liu Xianghui , Wang Kai , Guo Wengang , Liu Yan , Li Can
Published: July 2019

Correction for ‘An organic-base catalyzed asymmetric 1,4-addition of tritylthiol to in situ generated aza-o-quinone methides at the H2O/DCM interface’ by Xianghui Liu et al., Chem. Commun., 2019, 55, 2668–2671.
Recent advancements in Pt-nanostructure-based electrocatalysts for the oxygen reduction reaction
Authors: Mahata Arup , Nair Akhil S. , Pathak Biswarup
Published: July 2019

A comprehensive evaluation of Pt-nanostructure-based electrocatalysts for the oxygen reduction reaction.
Low-coordinate first-row transition metal complexes in catalysis and small molecule activation
Authors: Taylor Laurence J. , Kays Deborah L.
Published: July 2019

In this Perspective, we will highlight selected examples of transition metal complexes with low coordination numbers whose high reactivity has been exploited in catalysis and the activation of small molecules featuring strong bonds (N2, CO2, and CO).
Effects of wax concentration and carbon chain length on the structural modification of fat crystals
Authors: Liu Chunhuan , Zheng Zhaojun , Zaaboul Farah , Cao Chen , Huang Xinlei , Liu Yuanfa
Published: July 2019

The changes in the lamellar thickness (d001) and crystal domain size (ξ) of PKS85 are attributed to the carbon chain length of CLW and RW.
Correction: Comparison of the nutritional properties and biological activities of kiwifruit (Actinidia) and their different forms of products: towards making kiwifruit more nutritious and functional
Authors: Ma Tingting , Lan Tian , Ju Yanlun , Cheng Guo , Que Zhiluo , Geng Tonghui , Fang Yulin , Sun Xiangyu
Published: July 2019

Correction for ‘Comparison of the nutritional properties and biological activities of kiwifruit (Actinidia) and their different forms of products: towards making kiwifruit more nutritious and functional’ by Tingting Ma et al., Food Funct., 2019, 10, 1317–1329.
A strategy for the dissolution and separation of rare earth oxides by novel Brønsted acidic deep eutectic solvents
Authors: Chen Wenjun , Jiang Jingyun , Lan Xue , Zhao Xinhui , Mou Hongyu , Mu Tiancheng
Published: July 2019

The dissolution and separation of rare earth oxides were realized by novel Brønsted acidic deep eutectic solvents.
Application of the Cu(i)/TEMPO/O2catalytic system for aerobic oxidative dehydrogenative aromatization of pyrrolidines
Authors: Luo Zheng , Liu Yan , Wang Chao , Fang Danjun , Zhou Junyu , Hu Huayou
Published: July 2019

A Cu(i)/TEMPO (2,2,6,6-tetramethyl-1-piperidinyloxy)-catalyzed aerobic oxidative dehydrogenative aromatization reaction of fully saturated pyrrolidines to synthesize multi-substituted pyrroles was developed for the first time.
Preparation and applications of electrochemical chemosensors based on carbon-nanomaterial-modified molecularly imprinted polymers
Authors: Gui Rijun , Guo Huijun , Jin Hui
Published: July 2019

This review summarizes recent advances in carbon nanomaterials-modified molecularly imprinted polymers as electrochemical chemosensors. Preparations and applications are reviewed. Current status, challenges and perspectives are discussed.
Correction: Water distribution at the electrified interface of deep eutectic solvents
Authors: Mamme Mesfin Haile , Moors Samuel L. C. , Mernissi Cherigui El Amine , Terryn Herman , Deconinck Johan , Ustarroz Jon , De Proft Frank
Published: July 2019

Correction for ‘Water distribution at the electrified interface of deep eutectic solvents’ by Mesfin Haile Mamme et al., Nanoscale Adv., 2019, DOI: 10.1039/c9na00331b.
Scratch to sensitize: scratch-induced sensitivity enhancement in semiconductor thin-film sensors
Authors: Lee Geonhee , Choi Min , Chae Soo Sang , Jeong Du Won , Choi Won Jin , Ji Seulgi , Kim Yun Ho , Choi Ji Woon , Lee Tae Il , Cho Incheol , Park Inkyu , Lee Sun Sook , Park Sungsu , Park Noejung , Chang Hyunju , Lee Jeong-O.
Published: July 2019

Nanoscale scratches were produced with mechanical abrasion to enhance the chemical sensitivity of thin-film-type semiconductor sensors; ZnO sensor devices with well-aligned arrays of scratches exhibited superior performance.
Titanium-decorated boron nitride nanotubes for hydrogen storage: a multiscale theoretical investigation
Authors: Mananghaya Michael Rivera
Published: July 2019

A multiscale computational technique from available quantum mechanical and Molecular Dynamics (MD) codes to user-subroutine computational fluid dynamics (CFD) files was applied to the H2 adsorption of Ti-decorated (10,0) single-walled BN nanotubes (BNNTs) with B–N defects.
Thermal management applied laminar composites with SiC nanowires enhanced interface bonding strength and thermal conductivity
Authors: Chang Jing , Zhang Qiang , Lin Yingfei , Shao Puzhen , Pei Yinyin , Zhong Sujuan , Wu Gaohui
Published: July 2019

Thermal management applied laminar composites with enhanced interface bonding strength and thermal conductivity were fabricated through a pressure infiltration method.
De novo synthesis of benzofurans via trifluoroacetic acid catalyzed cyclization/oxidative aromatization cascade reaction of 2-hydroxy-1,4-diones
Authors: Sha Qiang , Liu Haixuan
Published: July 2019

A simple metal-free cyclization/oxidative aromatization reaction starting from 2-hydroxy-1,4-diones for the de novo synthesis of benzofurans was developed.
Liquid salts as eco-friendly solvents for atom transfer radical polymerization: a review
Authors: Pereira Vanessa A. , Mendonça Patrícia V. , Coelho Jorge F. J. , Serra Arménio C.
Published: July 2019

Liquid salts, comprising ionic liquids and eutectic mixtures, are organic compounds/mixtures characterized by a low melting point that have been emerging as a very promising eco-friendly solvent for atom transfer radical polymerization.
Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission
Authors: Kumar Kunal , Abe Daisuke , Komori-Orisaku Keiko , Stefańczyk Olaf , Nakabayashi Koji , Shakirova Julia R. , Tunik Sergey P. , Ohkoshi Shin-ichi
Published: July 2019

In this work, we investigated thermally-induced Nd-based one centred ratiometric thermometer which also exhibit single molecule magnetic properties.
Experimental evidence for the role of paramagnetic oxygen concentration on the decay of long-lived nuclear spin order
Authors: Erriah Bryan , Elliott Stuart J.
Published: July 2019

The sensitivity of longitudinal magnetization and singlet order to relaxation from dissolved paramagnetic oxygen sources in solution is investigated experimentally.
TiO2@Sn3O4 nanorods vertically aligned on carbon fiber papers for enhanced photoelectrochemical performance
Authors: Xia Weiwei , Qian Haoyu , Zeng Xianghua , Sun Jiawei , Wang Pengdi , Luo Min , Dong Jing
Published: July 2019

Semiconductor heterostructures are regarded as an efficient way to improve the photocurrent in photoelectrochemical cell-type (PEC) photodetectors.
Optical and electrical properties of all-inorganic Cs2AgBiBr6 double perovskite single crystals
Authors: Zhang Zheng , Yang Ge , Zhou Chuanzhen , Chung Ching-Chang , Hany Ibrahim
Published: July 2019

Temperature-dependent resistivity and cathodoluminescence (CL) measurements of solution-processed Cs2AgBiBr6 double perovskite single crystals.
An aggregation-induced emission-based fluorescence turn-on probe for Hg2+ and its application to detect Hg2+ in food samples
Authors: Tang Lijun , Yu Haili , Zhong Keli , Gao Xue , Li Jianrong
Published: July 2019

A new AIE-based fluorescent probe TPE-M for Hg2+ detection in an aqueous solution has been developed.
Double nucleophilic addition to iminomalonate, leading to the synthesis of quaternary α-amino diesters and desymmetrization of the products
Authors: Shimizu Makoto , Mushika Miki , Mizota Isao , Zhu Yusong
Published: July 2019

Alkylation of iminomalonate with Grignard reagents followed by oxidation and allylation gave symmetrical quaternary α-amino diesters. Subsequent desymmetrization of a diol derivative from these products was conductedviaasymmetric carbamylation catalyzed by Cu-Bnbox.
Measuring human carboxylesterase 2 activity in pancreatic cancer patient-derived xenografts using a ratiometric fluorescent chemosensor
Authors: Kailass Karishma , Sadovski Oleg , Capello Michela , Kang Ya'an , Fleming Jason B. , Hanash Samir M. , Beharry Andrew A.
Published: July 2019

We report the development of a ratiometric fluorescent chemosensor that selectively measures human carboxylesterase 2 (hCES2) activity with application in pancreatic cancer patient-derived xenografts.
One-step synthesis of a dual-emitting carbon dot-based ratiometric fluorescent probe for the visual assay of Pb2+ and PPi and development of a paper sensor
Authors: Gao Yifang , Jiao Yuan , Zhang Huilin , Lu Wenjing , Liu Yang , Han Hui , Gong Xiaojuan , Li Lei , Shuang Shaomin , Dong Chuan
Published: July 2019

Herein, an easy and effective ratiometric fluorescent nanoprobe for the selective detection of Pb2+ and pyrophosphate (PPi) was developed based on label-free carbon dots (CDs).
Quenching-assisted actuation mechanisms in core–shell structured BiFeO3–BaTiO3 piezoceramics
Authors: Calisir Ilkan , Kleppe Annette K. , Feteira Antonio , Hall David A.
Published: July 2019

An alternative actuation mechanism has been revealed via in situ X-ray diffraction experiments in core–shell structured BiFeO3–BaTiO3 piezoceramics.
Effect of mycophenolate and rapamycin on renal fibrosis in lupus nephritis
Authors: Zhang Chenzhu , Chan Caleb C.Y. , Cheung Kwok Fan , Chau Mel K.M. , Yap Desmond Y.H. , Ma Maggie K.M. , Chan Kwok Wah , Yung Susan , Chan Tak Mao
Published: July 2019

Lupus nephritis (LN) leads to chronic kidney disease (CKD) through progressive fibrosis. Mycophenolate inhibits inosine monophosphate dehydrogenase and is a standard treatment for LN. The mammalian or mechanistic target of rapamycin (mTOR) pathway is activated in LN. Rapamycin inhibits mTOR and is effective in preventing kidney transplant rejection, with the additional merits of reduced incidence of malignancies and viral infections. The effect of mycophenolate or rapamycin on kidney fibrosis in LN has not been investigated. We investigated the effects of mycophenolate and rapamycin in New Zealand Black and White first generation (NZB/W F1) murine LN and human mesangial cells (HMCs), focusing on mechanisms leading to kidney fibrosis. Treatment of mice with mycophenolate or rapamycin improved nephritis manifestations, decreased anti-double stranded (ds) DNA antibody titer and reduced immunoglobulin G (IgG) deposition in the kidney. Both mycophenolate and rapamycin, especially the latter, decreased glomerular mTOR Ser2448 phosphorylation. Renal histology in untreated mice showed mesangial proliferation and progressive glomerulosclerosis with tubular atrophy, and increased expression of transforming growth factor β1 (TGF-β1), monocyte chemoattractant protein-1 (MCP-1), α-smooth muscle actin (α-SMA), fibronectin (FN) and collagen. Both mycophenolate and rapamycin ameliorated the histopathological changes. Results from in vitro experiments showed that both mycophenolate and rapamycin decreased mesangial cell proliferation and their binding with anti-dsDNA antibodies. Mycophenolate and rapamycin also down-regulated mTOR and extracellular signal-regulated kinase (ERK) phosphorylation and inhibited fibrotic responses in mesangial cells that were induced by anti-dsDNA antibodies or TGF-β1. Our findings suggest that, in addition to immunosuppression, mycophenolate and rapamycin may reduce fibrosis in LN, which has important implications in preventing CKD in patients with LN.
Constrained transport and adaptive mesh refinement in the Black Hole Accretion Code
Authors: Olivares Hector , Porth Oliver , Davelaar Jordy , Most Elias R. , Fromm Christian M. , Mizuno Yosuke , Younsi Ziri , Rezzolla Luciano
Published: July 2019

Context. Worldwide very long baseline radio interferometry (VLBI) arrays are expected to obtain horizon-scale images of supermassive black hole candidates and of relativistic jets in several nearby active galactic nuclei. This, together with the expected detection of electromagnetic counterparts of gravitational-wave signals, motivates the development of models for magnetohydrodynamic flows in strong gravitational fields.

Aims. The Black Hole Accretion Code (BHAC) is a publicliy available code intended to aid with the modeling of such sources by performing general relativistic magnetohydrodynamical simulations in arbitrary stationary spacetimes. New additions to the code are required in order to guarantee an accurate evolution of the magnetic field when small and large scales are captured simultaneously.

Methods. We discuss the adaptive mesh refinement (AMR) techniques employed in BHAC, which are essential to keep several problems computationally tractable, as well as staggered-mesh-based constrained transport (CT) algorithms to preserve the divergence-free constraint of the magnetic field. We also present a general class of prolongation operators for face-allocated variables compatible with them.

Results. After presenting several standard tests for the new implementation, we show that the choice of the divergence-control method can produce qualitative differences in the simulation results for scientifically relevant accretion problems. We demonstrate the ability of AMR to decrease the computational costs of black hole accretion simulations while sufficiently resolving turbulence arising from the magnetorotational instability. In particular, we describe a simulation of an accreting Kerr black hole in Cartesian coordinates using AMR to follow the propagation of a relativistic jet while self-consistently including the jet engine, a problem set up for which the new AMR implementation is particularly advantageous.

Conclusions. The CT methods and AMR strategies discussed here are currently being used in the simulations performed with BHAC for the generation of theoretical models for the Event Horizon Telescope collaboration.
NAOMI: the adaptive optics system of the Auxiliary Telescopes of the VLTI
Authors: Woillez J. , Abad J. A. , Abuter R. , Aller Carpentier E. , Alonso J. , Andolfato L. , Barriga P. , Berger J.-P. , Beuzit J.-L. , Bonnet H. , Bourdarot G. , Bourget P. , Brast R. , Caniguante L. , Cottalorda E. , Darré P. , Delabre B. , Delboulbé A. , Delplancke-Ströbele F. , Dembet R. , Donaldson R. , Dorn R. , Dupeyron J. , Dupuy C. , Egner S. , Eisenhauer F. , Fischer G. , Frank C. , Fuenteseca E. , Gitton P. , Gonté F. , Guerlet T. , Guieu S. , Gutierrez P. , Haguenauer P. , Haimerl A. , Haubois X. , Heritier C. , Huber S. , Hubin N. , Jolley P. , Jocou L. , Kirchbauer J.-P. , Kolb J. , Kosmalski J. , Krempl P. , Le Bouquin J.-B. , Le Louarn M. , Lilley P. , Lopez B. , Magnard Y. , Mclay S. , Meilland A. , Meister A. , Merand A. , Moulin T. , Pasquini L. , Paufique J. , Percheron I. , Pettazzi L. , Pfuhl O. , Phan D. , Pirani W. , Quentin J. , Rakich A. , Ridings R. , Riedel M. , Reyes J. , Rochat S. , Santos Tomás G. , Schmid C. , Schuhler N. , Shchekaturov P. , Seidel M. , Soenke C. , Stadler E. , Stephan C. , Suárez M. , Todorovic M. , Valdes G. , Verinaud C. , Zins G. , Zúñiga-Fernández S.
Published: July 2019

Context. The tip-tilt stabilisation system of the 1.8 m Auxiliary Telescopes of the Very Large Telescope Interferometer was never dimensioned for robust fringe tracking, except when atmospheric seeing conditions are excellent.

Aims. Increasing the level of wavefront correction at the telescopes is expected to improve the coupling into the single-mode fibres of the instruments, and enable robust fringe tracking even in degraded conditions.

Methods. We deployed a new adaptive optics module for interferometry (NAOMI) on the Auxiliary Telescopes.

Results. We present its design, performance, and effect on the observations that are carried out with the interferometric instruments.
Active vibration control of rotor-bearing system by virtual dynamic absorber
Authors: Monjezi Behnam , Heidari Hamidreza
Published: July 2019

The main sources of the vibration in rotor dynamic systems are unbalanced masses and manufacturing defects of bearings used in the rotor system. In this study, magnetic absorber as a new method brings the rotor system out of resonance state by applying a dynamic absorber system force and creating two new natural frequencies. This study virtually reconstructed magnetic absorber controller software as a combined active and passive dynamic absorber to reduce vibration amplitude, efficiently. In this approach, combined routes are defined for the rotor frequency response, so that the optimal values of the parameters of dynamic absorber system are calculated using H∞ method and maximum damping for frequencies lower and higher than resonance frequencies, respectively. The results confirm that transient response overshoot is less, and transient response attenuation is more in maximum damping method. Hence, the controller system easily recognizes initial overshoots and determines the parameters of the dynamic absorber system in accordance with maximum damping state if it is struck at any rotor frequency and any rotation angle. It is also observed that for all rotor rotation frequencies, the system overshoot reduces in comparison with H∞ method by using this control method.
How to obtain an enhanced extended uncertainty associated with decay heat calculations of industrial PWRs using the DARWIN2.3 package
Authors: Huyghe Jordan , Vallet Vanessa , Lecarpentier David , Reynard-Carette Christelle , Vaglio-Gaudard Claire
Published: July 2019

Decay heat is a crucial issue for in-core safety after reactor shutdown and the back-end cycle. An accurate computation of its value has been carried out at the CEA within the framework of the DARWIN2.3 package. The DARWIN2.3 package benefits from a Verification, Validation and Uncertainty Quantification (VVUQ) process. The VVUQ ensures that the parameters of interest computed with the DARWIN2.3 package have been validated over measurements and that biases and uncertainties have been quantified for a particular domain. For the parameter “decay heat”, there are few integral experiments available to ensure the experimental validation over the whole range of parameters needed to cover the French reactor infrastructure (fissile content, burnup, fuel, cooling time). The experimental validation currently covers PWR UOX fuels for cooling times only between 45 minutes and 42 days, and between 13 and 23 years. Therefore, the uncertainty quantification step is of paramount importance in order to increase the reliability and accuracy of decay heat calculations. This paper focuses on the strategy that could be used to resolve this issue with the complement and the exploitation of the DARWIN2.3 experimental validation.
An Efficient Solvent-Free Microwave-Assisted Synthesis of Cinnamamides by Amidation Reaction Using Phenylboronic Acid/Lewis Base Co-catalytic System
Authors: Khaldoun Khadidja , Safer Abdelmounaim , Saidi-Besbes Salima , Carboni Bertrand , Le Guével Rémy , Carreaux François
Published: July 2019

A microwave-assisted dehydrative amide condensation reaction is reported as an efficient access to cinnamamide derivatives under solvent-free conditions. This protocol between conjugated carboxylic acids and amines is based on the use of a co-catalytic system, including the presence of the commercially available phenylboronic acid and 4-(N,N-dimethylamino)pyridine N-oxide (DMAPO), with a complete chemoselectivity in favor of the corresponding α,β-unsaturated amides. The implementation of the reaction needs no special precaution, and less reactive amines, such as substituted anilines, are also efficient under these conditions. A series of novel conjugated amides have been evaluated for their cytotoxic activities against several human cancer cell lines.
Preventive Effects of Probiotic Supplementation on Neonatal Hyperbilirubinemia Caused by Isoimmunization
Authors: Mutlu Mehmet , Aslan Yakup , Kader Şebnem , Aktürk Acar Filiz
Published: July 2019

Objective Probiotic supplementation can help to improve recovery from jaundice by reducing enterohepatic circulation through the regulation of intestinal microbial flora. The aim of our study was to investigate the effect of probiotic supplementation on neonatal hyperbilirubinemia caused by isoimmunization alone.

Study Design Sixty neonates were randomly divided into a placebo group and a probiotic group (Lactobacillus rhamnosus GG). Serum total bilirubin (STB) levels were measured at birth and at 4, 8, 16, 24, and 36 hours of treatment (and at 48, 60, and 72 hours if necessary). Duration of phototherapy, rephototherapy requirements, and daily meconium evacuation were recorded.

Results STB and rebound STB levels at 36 hours were lower in the probiotic group than in the placebo group (p = 0.01 and p = 0.006, respectively). Meconium evacuation was more frequent in the probiotic group than in the placebo group on the second and third days of life (p = 0.002 and 0.009, respectively).

Conclusion Probiotics do not affect STB levels in the first 24 hours of life or duration of phototherapy in neonates with jaundice caused by blood group incompatibility. The effect of probiotic supplementation by reducing enterohepatic circulation occurs at 36 hours of life in newborns with isoimmunization.
Quality Improvement Initiative to Reduce Time from Regional Anesthesia Placement to Delivery for Cesarean Delivery
Authors: La Rosa Mauricio , Omere Chasey , Webb Camille , Goldman Brett , Laird Rachel , Munn Mary , Saade George R. , Olson Koutrouvelis Gayle
Published: July 2019

Objective Our objective was to evaluate the impact of a quality improvement (QI) initiative on the regional anesthesia placement-to-infant delivery time during cesarean delivery (CD).

Study Design We performed a quality improvement trial. Before June 18, 2018, the preoperative protocol was as follows: the anesthesiologist administered regional anesthesia in the operating room then the nurse placed the Foley's catheter, clipped pubic hair, precleaned the abdomen, and abdominal preparation. On June 18, 2018, the protocol changed and all the preoperative preparation (Foley's clip and preclean) were performed prior to the arrival in the operating room. The records of patients who underwent scheduled or nonemergency CD between May 1 and July 15, 2018, were reviewed. Our primary outcome was time between the placements of regional anesthesia to infant delivery at the time of CD. Bivariate and multivariable analyses were performed.

Results A total of 194 patients were included, 124 before and 70 after the process change. The change in process leads to a significant reduction in anesthesia-to-delivery time, even after adjusting for number of prior CD and body mass index (BMI). Other times were also significantly impacted by the change.

Conclusion Our QI initiative significantly decreased the time from anesthesia placement to delivery of the fetus. Performing preoperative preparation activities, such as Foley's placement and shaving, after regional anesthesia for CD, increase the risk of fetal exposure to maternal hypotension. We evaluated the impact of a QI initiative on regional anesthesia placement to infant delivery time during CD.
Decision-making method for building energy efficiency retrofit measures based on an improved analytic hierarchy process
Authors: Zheng Dong-Lin , Yu Li-Jun , Wang Li-Zhen
Published: July 2019

A large number of building energy efficiency retrofit measures (EERMs) are currently available; however, the ultimate choice of which retrofit measures should be performed is determined by many factors. The aim of this paper is to explore an application of the analytic hierarchy process (AHP) to the selection of EERMs. However, some of the limitations in the current AHP model include a large computational comparison matrix, an incomplete evaluation system, and the difficulty of integrating multidimensional factors. This paper proposes an improved AHP method to overcome these shortcomings. The improvements to the AHP focus on the normalization of the data and the influence of subjective opinions. An evaluation system was built in combination with a life cycle cost analysis. Moreover, a judgment matrix was built from multiple experts through questionnaires and the distributions of the weight factors were calculated. Furthermore, the advantages are discussed through a case study, and the results are compared with other decision-making methods. It was found that the top ranking and less desirable EERMs showed little change when using multicriteria weighted decision-making, but some policy-oriented EERM rankings showed significant changes. The case study indicated that the presented approach significantly simplified complicated multicriteria decision-making problems.