bluuebunny/crossref_metadata_2025 huggingface dataset:
Trade-offs between robustness and small-world effect in complex networks
Authors: Peng Guan-Sheng , Tan Suo-Yi , Wu Jun , Holme Petter
Published: November 2016

Robustness and small-world effect are two crucial structural features of complex networks and have attracted increasing attention. However, little is known about the relation between them. Here we demonstrate that, there is a conflicting relation between robustness and small-world effect for a given degree sequence. We suggest that the robustness-oriented optimization will weaken the small-world effect and vice versa. Then, we propose a multi-objective trade-off optimization model and develop a heuristic algorithm to obtain the optimal trade-off topology for robustness and small-world effect. We show that the optimal network topology exhibits a pronounced core-periphery structure and investigate the structural properties of the optimized networks in detail.
High mannose-specific lectin Msl mediates key interactions of the vaginal Lactobacillus plantarum isolate CMPG5300
Authors: Malik Shweta , Petrova Mariya I. , Imholz Nicole C. E. , Verhoeven Tine L. A. , Noppen Sam , Van Damme Els J. M. , Liekens Sandra , Balzarini Jan , Schols Dominique , Vanderleyden Jos , Lebeer Sarah
Published: November 2016

To characterize the interaction potential of the human vaginal isolate Lactobacillus plantarum CMPG5300, its genome was mined for genes encoding lectin-like proteins. cmpg5300.05_29 was identified as the gene encoding a putative mannose-binding lectin. Phenotypic analysis of a gene knock-out mutant of cmpg5300.05_29 showed that expression of this gene is important for auto-aggregation, adhesion to the vaginal epithelial cells, biofilm formation and binding to mannosylated glycans. Purification of the predicted lectin domain of Cmpg5300.05_29 and characterization of its sugar binding capacity confirmed the specificity of the lectin for high- mannose glycans. Therefore, we renamed Cmpg5300.05_29 as a mannose-specific lectin (Msl). The purified lectin domain of Msl could efficiently bind to HIV-1 glycoprotein gp120 and Candida albicans, and showed an inhibitory activity against biofilm formation of uropathogenic Escherichia coli, Staphylococcus aureus and Salmonella Typhimurium. Thus, using a combination of molecular lectin characterization and functional assays, we could show that lectin-sugar interactions play a key role in host and pathogen interactions of a prototype isolate of the vaginal Lactobacillus microbiota.
Declines in benthic macroinvertebrate community metrics and microphytobenthic biomass in an estuarine lake following enrichment by hippo dung
Authors: Dawson Jessica , Pillay Deena , Roberts Peter Jean , Perissinotto Renzo
Published: November 2016

Hippos transfer massive quantities of trophic resources from terrestrial to aquatic ecosystems through defecation. The ramifications of the latter for the functioning of benthic ecosystems are unknown, but are dependent ultimately on rates of utilisation relative to inputs. Low input and high utilisation can strengthen bottom-up pathways and enhance consumer biomass and abundance. However, if inputs exceed utilisation rates, dung can accumulate, leading to a decline in water quality, with important repercussions for resident assemblages. Here, we quantify the consequences of hippo dung inputs on benthic assemblages in an estuarine lake in South Africa. The system supports over a thousand hippos, and during recent drought periods (extending over a decade), hippo dung has been observed to form mats over benthic habitats. Enrichment of plots using exclusion/inclusion cages with dung at naturally occurring concentrations indicated a decline in benthic chl-a by roughly 50% and macrofaunal abundance, biomass and richness by up to 76, 56 and 27% respectively. Our findings suggest that persistent inputs of hippo dung can act as an important stressor of benthic systems, leading ultimately to a loss of productivity. Accumulation of hippo dung over benthic habitats is therefore an important mechanism by which hippos indirectly structure aquatic ecosystems.
Timing predictability enhances regularity encoding in the human subcortical auditory pathway
Authors: Gorina-Careta Natàlia , Zarnowiec Katarzyna , Costa-Faidella Jordi , Escera Carles
Published: November 2016

The encoding of temporal regularities is a critical property of the auditory system, as short-term neural representations of environmental statistics serve to auditory object formation and detection of potentially relevant novel stimuli. A putative neural mechanism underlying regularity encoding is repetition suppression, the reduction of neural activity to repeated stimulation. Although repetitive stimulation per se has shown to reduce auditory neural activity in animal cortical and subcortical levels and in the human cerebral cortex, other factors such as timing may influence the encoding of statistical regularities. This study was set out to investigate whether temporal predictability in the ongoing auditory input modulates repetition suppression in subcortical stages of the auditory processing hierarchy. Human auditory frequency–following responses (FFR) were recorded to a repeating consonant–vowel stimuli (/wa/) delivered in temporally predictable and unpredictable conditions. FFR amplitude was attenuated by repetition independently of temporal predictability, yet we observed an accentuated suppression when the incoming stimulation was temporally predictable. These findings support the view that regularity encoding spans across the auditory hierarchy and point to temporal predictability as a modulatory factor of regularity encoding in early stages of the auditory pathway.
Pyroptosis of Salmonella Typhimurium-infected macrophages was suppressed and elimination of intracellular bacteria from macrophages was promoted by blocking QseC
Authors: Li Zhi , Zheng Qing , Xue Xiaoyan , Shi Xin , Zhou Ying , Da Fei , Qu Di , Hou Zheng , Luo Xiaoxing
Published: November 2016

QseC is a membrane-bound histidine sensor kinase found in Gram-negative pathogens and is involved in the regulation of bacterial virulence. LED209, a QseC-specific inhibitor, significantly inhibits the virulence of several pathogens and partially protects infected mice from death by blocking QseC. However, the mechanism of its antibacterial effects remains unclear. In this experiment, a Salmonella Typhimurium (S. Typhimurium) and macrophage co-culture system was utilized to investigate possible mechanisms underlying the antimicrobial effects of the QseC inhibitor. QseC blockade inhibited the expression of QseC-dependent virulence genes, including flhDC, sifA, and sopB, in S. Typhimurium, leading to inhibition of swimming motility, invasion capacity, and replication capacity of the pathogens. Release of lactate dehydrogenase (LDH) from S. Typhimurium-infected macrophages was significantly inhibited by blocking QseC. Activated caspase-1 and IL-1β levels were suppressed, and intracellular bacterial count was reduced in infected macrophages. QseC blockade effectively reduced the virulence of S. Typhimurium, inhibited S. Typhimurium-induced pyroptosis of macrophages, and promoted elimination of intracellular bacteria from infected macrophages. Thus, the antibacterial effects of QseC inhibitor are mediated via enhancement of intracellular killing of S. Typhimurium in macrophages.
First detection of seven phthalate esters (PAEs) as plastic tracers in superficial neustonic/planktonic samples and cetacean blubber
Authors: Baini Matteo , Martellini Tania , Cincinelli Alessandra , Campani Tommaso , Minutoli Roberta , Panti Cristina , Finoia Maria Grazia , Fossi Maria Cristina
Published: November 2016

PAEs concentrations can serve as tracer of plastics ingestion by marine organisms.
Lysine linkage in abasic site-binding ligand–thiazole orange conjugates for improved binding affinity to orphan nucleobases in DNA/RNA hybrids
Authors: Sato Yusuke , Saito Hiroki , Aoki Daisuke , Teramae Norio , Nishizawa Seiichi
Published: November 2016

Introduction of lysine linkage in the conjugate between abasic site-binding ligands and thiazole orange significantly improved the binding affinity for target orphan adenine or uracil nucleobase in DNA/RNA hybrids.
Controllable selenium vacancy engineering in basal planes of mechanically exfoliated WSe2monolayer nanosheets for efficient electrocatalytic hydrogen evolution
Authors: Sun Ying , Zhang Xuewei , Mao Baoguang , Cao Minhua
Published: November 2016

Se-vacancy-rich WSe2monolayer nanosheets with excellent electrocatalytic hydrogen evolution activity were prepared by mechanical exfoliation and annealing of bulk WSe2.
Reversible pH-independent optical potassium sensor with lipophilic solvatochromic dye transducer on surface modified microporous nylon
Authors: Wang Lu , Xie Xiaojiang , Zhai Jingying , Bakker Eric
Published: November 2016

A reversible and pH-independent fluorescent ion optode is introduced with an ionophore and surface confined solvatochromic dye transducer doped onto microporous nylon membranes.
Exploring the activity of a polyazine bridged Ru(ii)–Pt(ii) supramolecule in F98 rat malignant glioma cells
Authors: Zhu Jie , Rodríguez-Corrales José Á. , Prussin Reece , Zhao Zongmin , Dominijanni Anthony , Hopkins Samantha L. , Winkel Brenda S. J. , Robertson John L. , Brewer Karen J.
Published: November 2016

[(Ph2phen)2Ru(dpp)PtCl2]Cl2exhibits multiple light-dependent cytotoxicity pathways that preferentially target DNA, offering promise for the development of novel photodynamic therapy agents.
Highly efficient reduction of carbon dioxide with a borane catalyzed by bis(phosphinite) pincer ligated palladium thiolate complexes
Authors: Ma Qiang-Qiang , Liu Ting , Li Shujun , Zhang Jie , Chen Xuenian , Guan Hairong
Published: November 2016

New palladium catalysts developed for highly efficient hydroboration of CO2 under very mild conditions with turnover frequencies up to 1780 h−1.
A versatile ferrocene-containing material as a p-type charge generation layer for high-performance full color tandem OLEDs
Authors: Chang Yu-Wei , Huang Min-Jie , Lai Cheng-Chang , Chang Ching-Chih , Huang Man-Ping , Liao Chuang-Yi , Cheng Chien-Hong
Published: November 2016

A ferrocene derivative, DPAF, is developed as a p-type charge generation layer and gives excellent device performance for RGB tandem OLEDs.
The role of water in the synthesis of indium nanoparticles
Authors: Dreyfuss Sébastien , Pradel Christian , Vendier Laure , Mallet-Ladeira Sonia , Mézailles Nicolas
Published: November 2016

We report the water-assisted synthesis of indium nanoparticles and their reactivity with white phosphorus.
Efficient oxygen evolution on hematite at neutral pH enabled by proton-coupled electron transfer
Authors: Takashima Toshihiro , Ishikawa Koki , Irie Hiroshi
Published: November 2016

The oxygen evolution activity of hematite at neutral pH was enhanced by inducing the concerted proton-coupled electron transfer process.
Photoluminescence quenching of inorganic cesium lead halides perovskite quantum dots (CsPbX3) by electron/hole acceptor
Authors: Zhang Yan-Xia , Wang Hai-Yu , Zhang Zhen-Yu , Zhang Yu , Sun Chun , Yue Yuan-Yuan , Wang Lei , Chen Qi-Dai , Sun Hong-Bo
Published: November 2016

CsPbBr3 QDs with smaller size showed faster carrier recombination rates and PL decay lifetimes due to their relatively stronger quantum confinement effects, which may be useful for applications in photovoltaic and light emission devices.
In situ characterisation of nanostructured multiphase thermoelectric materials at elevated temperatures
Authors: Aminorroaya Yamini S. , Mitchell D. R. G. , Avdeev M.
Published: November 2016

Multiphase thermoelectric materials exhibit higher efficiencies than their single-phase counterparts. Here, we performed in situ high temperature structural characterisations and shown a strong chemical interaction between secondary phases and matrices at elevated temperatures.
An atomic-level insight into the basic mechanism responsible for the enhancement of the catalytic oxidation of carbon monoxide on a Cu/CeO2 surface
Authors: Koizumi Kenichi , Nobusada Katsuyuki , Boero Mauro
Published: November 2016

Reaction mechanism of CO molecules onto a Cu/CeO2 surface and morphological changes.
Correlation of dielectric, electrical and magnetic properties near the magnetic phase transition temperature of cobalt zinc ferrite
Authors: Pradhan Dhiren K. , Kumari Shalini , Puli Venkata S. , Das Proloy T. , Pradhan Dillip K. , Kumar Ashok , Scott J. F. , Katiyar Ram S.
Published: November 2016

CZFO exhibits low loss tangent, high dielectric constant, large magnetization and magnetodielectric coupling above RT.
Ligand-dependent exciton dynamics and photovoltaic properties of PbS quantum dot heterojunction solar cells
Authors: Chang Jin , Ogomi Yuhei , Ding Chao , Zhang Yao Hong , Toyoda Taro , Hayase Shuzi , Katayama Kenji , Shen Qing
Published: November 2016

Surface ligand effects on the exciton dynamics and photovoltaic properties of PbS QDHSCs were systematically investigated.
Choosing the right precursor for thermal decomposition solution-phase synthesis of iron nanoparticles: tunable dissociation energies of ferrocene derivatives
Authors: Kelly Cameron H. W. , Lein Matthias
Published: November 2016

Pathways to low-temperature thermal dissociation of ferrocene derivatives as iron nanoparticle precursors.
Insights into bonding interactions and excitation energies of 3d–4f mixed lanthanide transition metal macrocyclic complexes
Authors: Rabanal-León Walter A. , Murillo-López Juliana A. , Arratia-Pérez Ramiro
Published: November 2016

This work provides insights into the metal/macrocyclic (host–guest) interaction and spectroscopic properties of the macrocyclic coordination compounds containing both lanthanide and transition metals inside their framework.
Use of organolanthanides in the catalytic intermolecular hydrophosphination and hydroamination of multiple C–C bonds
Authors: Trifonov A. A. , Basalov I. V. , Kissel A. A.
Published: November 2016

This review covers recent achievements in the intermolecular hydrophosphination and hydroamination of alkenes, dienes and alkynes catalyzed by organolanthanides.
Conversion cathodes for rechargeable lithium and lithium-ion batteries
Authors: Wu Feixiang , Yushin Gleb
Published: November 2016

Commercial lithium-ion (Li-ion) batteries built with Ni- and Co-based intercalation-type cathodes suffer from low specific energy, high toxicity and high cost. Conversion-type cathodes offer an opportunity to overcome such limitations.
The bridge between the materials and devices of thermoelectric power generators
Authors: Kim Hee Seok , Liu Weishu , Ren Zhifeng
Published: November 2016

BeyondZT, (ZT)engwas used as a direct indicator for thermoelectric performance to achieve a balance between material tuning and device reliability.
Development of electro-active forward osmosis membranes to remove phenolic compounds and reject salts
Authors: Li Jingguo , Liu Qing , Liu Yanbiao , Xie Jianping
Published: November 2016

A composite membrane that integrated forward osmosis with the electro-oxidation process was developed and achieved both effective removal of phenolic compounds (>92% at 2.5 V) and good salt rejection (>98%).
Functional, bioactive, biochemical, and physicochemical properties of the Dolichos lablab bean
Authors: Habib Hosam M. , Theuri Serah W. , Kheadr Ehab E. , Mohamed Fedah E.
Published: November 2016

The underutilized Kenyan variety ofDolichos lablabbean seeds serves as a good source of nutrients.
Continuous micro-vortex-based nanoparticle manipulation via focused surface acoustic waves
Authors: Collins David J. , Ma Zhichao , Han Jongyoon , Ai Ye
Published: November 2016

Continuous manipulation of nanoparticles using micro-vortex generated by a highly focused, high frequency surface acoustic wave (SAW) beam.
Control of apoptosis by SMAR1
Authors: Malik Md. Zubbair , Alam Md. Jahoor , Ishrat Romana , Agarwal Subhash M. , Singh R. K. Brojen
Published: November 2016

The nuclear matrix associated proteinSMAR1 is sensitive top53 and acts as a stress inducer as well as a regulator in thep53 regulatory network.
Can self-assembled hydrogels composed of aromatic amino acid derivatives function as drug delivery carriers?
Authors: Tiwari Priyanka , Rajagopalan Ramanathan , Moin Mohammad , Soni Rohit , Trivedi Piyush , DuttKonar Anita
Published: November 2016

This work reflects the efficient candidature of the hydrogelators and nanoparticles generated therefrom as excellent carriers for drug delivery.
A substrate-dependent mechanism for the reactions of a hydrido(hydrosilylene)ruthenium complex with carbonyl compounds: insights from quantum chemical calculations
Authors: Kuang Jian , Li Yang , Wang Lihong , Wu Zunyi , Lei Qunfang , Fang Wenjun , Xie Hujun
Published: November 2016

The reactivity difference between ketones and aldehydes towards the ruthenium silylene hydride complex is dependent on the substituents of the carbonyl substrates.
Expeditious trifluoromethylthiolation and trifluoromethylselenolation of alkynyl(phenyl)iodoniums by [XCF3]− (X = S, Se) anions
Authors: Fang Wan-Yin , Dong Tao , Han Jia-Bin , Zha Gao-Feng , Zhang Cheng-Pan
Published: November 2016

Metal- and additive-free trifluoromethylthiolation and trifluoromethylselenolation of alkynyl(phenyl)iodoniums by [XCF3]− (X = S, Se) anions was accomplished in 5–10 minutes.
Site-specific covalent capture of human O6-alkylguanine-DNA-alkyltransferase using single-stranded intrastrand cross-linked DNA
Authors: O'Flaherty D. K. , Wilds C. J.
Published: November 2016

An efficient method to generate site-specific DNA–protein covalent complexes is described using intrastrand cross-linked DNA.
Halogen bonding rotaxanes for nitrate recognition in aqueous media
Authors: Robinson Sean W. , Beer Paul D.
Published: November 2016

Incorporating halogen bonding into an interlocked [2]rotaxane anion host system results in unprecedented nitrate recognition in 90% water.
One pot synthesis of α-ketoamides from ethylarenes and amines: a metal free difunctionalization strategy
Authors: Ramanathan Mani , Kuo Chun-Kai , Liu Shiuh-Tzung
Published: November 2016

A one-pot synthesis of α-ketoamides was achieved by the oxidative amidation of ethylarenes with amines via sequential dehydrogenation of sp3 C–H bonds.
Synthesis of the biological repeating unit of Streptococcus pneumoniae serotype 23F capsular polysaccharide
Authors: Yu Kang , Qiao Yin , Gu Guofeng , Gao Jian , Cai Shuihong , Long Zhongzhu , Guo Zhongwu
Published: November 2016

The 3-aminopropyl glycoside of the biological repeating unit ofStreptococcus pneumoniaeserotype 23F capsular polysaccharide was efficiently synthesized by a linear assembly strategy.
A rapid and clean synthetic approach to cyclic peptides via micro-flow peptide chain elongation and photochemical cyclization: synthesis of a cyclic RGD peptide
Authors: Mifune Yuto , Nakamura Hiroyuki , Fuse Shinichiro
Published: November 2016

A cyclic RGD peptide was efficiently synthesized based on micro-flow, triphosgene-mediated peptide chain elongation and micro-flow photochemical macrolactamization.
Copper-catalyzed synthesis of 2-aminobenzothiazoles from 2-iodophenyl isocyanides, potassium sulfide and amines
Authors: Min Hao , Xiao Genhua , Liu Wenjuan , Liang Yun
Published: November 2016

A simple and practically useful synthetic method for the synthesis of a variety of 2-aminobenzothiazoles was developed.
Effect of the zwitterion structure on the thermo-responsive behaviour of poly(sulfobetaine methacrylates)
Authors: Hildebrand Viet , Laschewsky André , Päch Michael , Müller-Buschbaum Peter , Papadakis Christine M.
Published: November 2016

Modulating the thermo-responsive behaviour of poly(sulfobetaine methacrylates) whereby small structural changes cause big effects but show little logic.
Synthesis of Fe/M (M = Mn, Co, Ni) bimetallic metal organic frameworks and their catalytic activity for phenol degradation under mild conditions
Authors: Sun Qiao , Liu Min , Li Keyan , Han Yitong , Zuo Yi , Chai Fanfan , Song Chunshan , Zhang Guoliang , Guo Xinwen
Published: November 2016

Results show that the incorporation of Mn can significantly promote the catalytic process, Co exhibits no obviously favorable behavior, and Ni presents an apparently inhibitory impact.
Reaction behavior of Cryptomeria japonica treated with pyridinium chloride–water mixture
Authors: Yoshioka Koichi , Kawazoe Yu , Kanbayashi Toru , Yamada Tatsuhiko , Ohno Hiroyuki , Miyafuji Hisashi
Published: November 2016

Hemicelluloses and lignin in the cell walls of Cryptomeria japonica were liquefied and decomposed by the treatment with pyridinium chloride ([Py]Cl)–water mixture.
Mechanistic study of allopurinol oxidation using aldehyde oxidase, xanthine oxidase and cytochrome P450 enzymes
Authors: Mirzaei Saber , Taherpour Avat Arman , Mohamadi Shahryar
Published: November 2016

The oxidation reaction of allopurinol to its active metabolite (oxypurinol) is investigated using the AO and P450 enzymes. To the contrary of AO (and XO), the P450 enzyme can metabolize the allopurinol with a not self-inhibitory mechanism.
Synthesis and optoelectronics properties of diblock copolymer of P3HT containing thiol-side chains and its hybrid nanocomposite
Authors: Qiao Yisha , Du Yixuan , Liu Yinfeng , Li Yunbo
Published: November 2016

DP-P3HT-SH in global, leaf-like and elliptical shape states exhibiting broad absorption spectra between 300 nm and 650 nm, and the conductivity values of a DP-P3HT-S-AuNPs hybrid nanoparticle film as a function of the weight content of AuNPs.
Improved performance of co-sputtered Ni–Ti oxide films for all-solid-state electrochromic devices
Authors: Dong Dongmei , Wang Wenwen , Dong Guobo , Zhang Fan , Yu Hang , He Yingchun , Diao Xungang
Published: November 2016

Thin films of Ni–Ti oxide were co-sputtered by reactive direct current magnetron sputtering and their structures, morphologies, and compositions were investigated by X-ray diffraction, atomic force microscopy and X-ray photo-electron spectroscopy.
On the effects of the basis set superposition error on the change of QTAIM charges in adduct formation. Application to complexes between morphine and cocaine and their main metabolites
Authors: Rincón David A. , Cordeiro M. Natália D. S. , Mosquera Ricardo A.
Published: November 2016

QTAIM atomic properties variation upon interaction is analyzed by: (i) deformation; (ii) BSSE estimated by counterpoise method; and (iii) binding.
Palladium N-heterocyclic carbene catalyzed expected and unexpected C–C and C–N functionalization reactions of 1-aryl-3-methyl-1H-pyrazol-5(4H)-ones
Authors: Purohit Vishal B. , Karad Sharad C. , Patel Kirit H. , Raval Dipak K.
Published: November 2016

A palladium N-heterocyclic carbene complex of vitamin B1 developed earlier in our laboratory was successfully employed as an efficient catalyst for the regioselective C–C and C–N functionalization reactions of 1-aryl-3-methyl-1H-pyrazol-5(4H)-ones.
Nickel stabilized by triazole-functionalized carbon nanotubes as a novel reusable and efficient heterogeneous nanocatalyst for the Suzuki–Miyaura coupling reaction
Authors: Hajipour Abdol. R. , Abolfathi Parisa
Published: November 2016

The synthesis of a MWCNT-grafted nickel catalyst through “click” reaction of azide-functionalized carbon nanotubes with propargyl alcohol, for the Suzuki–Miyaura coupling reaction.
Preparing highly-dispersed noble metal supported mesoporous silica catalysts by reductive amphiphilic molecules
Authors: Tao Shengyang , Wang Huan , Wang Huilong
Published: November 2016

We present an in situ reduction strategy to prepare mesoporous silica supported by highly-dispersed noble metals.
Magnetoelectrodeposition of Ni–W alloy coatings for enhanced hydrogen evolution reaction
Authors: Elias Liju , Cao Peng , Hegde A. Chitharanjan
Published: November 2016

The electrocatalytic efficiency of electrodeposited (ED) Ni–W alloy coatings for the hydrogen evolution reaction (HER) has been improved drastically through magnetoelectrodeposition (MED) approach.
Resveratrol-piperine loaded mixed micelles: formulation, characterization, bioavailability, safety and in vitro anticancer activity
Authors: Jadhav Prakash , Bothiraja C. , Pawar Atmaram
Published: November 2016

Novel RES-carrying piperine loaded mixed micelles (RES-P-MM) composed of Poloxamer 407 and d-α-tocopheryl polyethylene glycol 1000 succinate (TPGS) were developed to enhance the solubility, oral bioavailability and anticancer potency of RES.
A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide
Authors: Reiter M. , Vagin S. , Kronast A. , Jandl C. , Rieger B.
Published: November 2016

Various polycarbonates with different material properties derived from CO2 and epoxides were prepared utilising a Lewis acid β-diiminato zinc catalyst.
Rational design and synthesis of LiTi2(PO4)3−xFx anode materials for high-performance aqueous lithium ion batteries
Authors: Wang Huaiqing , Zhang Hongzhang , Cheng Yi , Feng Kai , Li Xianfeng , Zhang Huamin
Published: November 2016

A F− doping strategy was adopted for the first time to achieve both high rate performance and less hydrogen evolution of the LTP anode in aqueous lithium ion batteries.
Effect of guanidinium on mesoscopic perovskite solar cells
Authors: Hou Xiaomeng , Hu Yue , Liu Huawei , Mei Anyi , Li Xiong , Duan Miao , Zhang Guoan , Rong Yaoguang , Han Hongwei
Published: November 2016

A multifunctional additive of guanidinium chloride (GuCl) in a CH3NH3PbI3 perovskite absorber enabled a high open-circuit voltage of over 1.0 V for printable mesoscopic perovskite solar cells based on a TiO2/ZrO2/carbon architecture.
Synthesis of α-Fe2O3/carbon nanocomposites as high capacity electrodes for next generation lithium ion batteries: a review
Authors: Keppeler Miriam , Shen Nan , Nageswaran Shubha , Srinivasan Madhavi
Published: November 2016

Review of the research progress in α-Fe2O3/carbon nanocomposites with superior electrochemical performance as promising alternatives to graphite anodes in LIBs.
A novel approach of binary doping sulfur and nitrogen into graphene layers for enhancing electrochemical performances of supercapacitors
Authors: Zhang Xuesha , Yan Pengtao , Zhang Ruijun , Liu Kang , Liu Yanyan , Liu Ting , Wang Xiaoyu
Published: November 2016

In this paper, we present a novel route to prepare sulfur and nitrogen co-doped reduced graphene oxide, in which, two main procedures – the preparation of a sulfur-doped graphite intercalation compound (S-GIC) and the construction of the sulfur and nitrogen co-doped reduced graphene oxide (SN-RGO) are included.
Efficient molecular solar cells processed from green solvent mixtures
Authors: Farahat Mahmoud E. , Perumal Packiyaraj , Budiawan Widhya , Chen Yang-Fang , Lee Chih-Hao , Chu Chih-Wei
Published: November 2016

A PCE of greater than 8% is the highest ever achieved for a molecular solar cell processed using a green solvent.
Preparation and characterisation of an innovative injectable calcium sulphate based bone cement for vertebroplasty application
Authors: Dadkhah Mehran , Pontiroli Lucia , Fiorilli Sonia , Manca Antonio , Tallia Francesca , Tcacencu Ion , Vitale-Brovarone Chiara
Published: November 2016

Spine-Ghost: a novel injectable resorbable cement containing mesoporous bioactive glass and a radiopaque glass-ceramic phase in a calcium sulphate matrix.
A modular approach towards drug delivery vehicles using oxanorbornane-based non-ionic amphiphiles
Authors: Janni D. Sirisha , Reddy U. Chandrasekhar , Saroj Soumya , Muraleedharan K. M.
Published: November 2016

The self-assembly of non-ionic amphiphiles with hydroxylated oxanorbornane head-group was controlled using amino acid units as spacers between hydrophilic and lipophilic domains to get spherical supramolecular aggregates suitable for drug delivery applications.
Shaped stimuli-responsive hydrogel particles: syntheses, properties and biological responses
Authors: Xue Bing , Kozlovskaya Veronika , Kharlampieva Eugenia
Published: November 2016

This review summarizes a pool of current experimental approaches and discusses perspectives in the development of the synergistic combination of shape and stimuli-response in particulate hydrogels.
Composition-tunable 2D SnSe2(1−x)S2x alloys towards efficient bandgap engineering and high performance (opto)electronics
Authors: Wang Yan , Le Huang Le Huang , Li Bo , Shang Jimin , Xia Congxin , Fan Chao , Deng Hui-Xiong , Wei Zhongming , Li Jingbo
Published: November 2016

2D SnSe2(1−x)S2x (0 ≤ x ≤ 1) alloys with continuously tunable band gap range from 1.37 to 2.27 eV are systematically synthesized and utilized in high performance (opto)electronic devices.
Magnetically assembled iron oxide nanoparticle coatings and their integration with pseudo-spin-valve thin films
Authors: Jiang Chengpeng , Ng Sheung Mei , Leung Chi Wah , Pong Philip W. T.
Published: November 2016

Magnetically assembled nanoparticle coatings modulate the properties and performances of pseudo-spin-valve thin films through nanoparticle–thin film interactions.
Eco-friendly direct (hetero)-arylation polymerization: scope and limitation
Authors: Yu Simiao , Liu Fuchuan , Yu Jianwei , Zhang Shiming , Cabanetos Clement , Gao Yongqian , Huang Wei
Published: November 2016

Polymer semiconductors have recently attracted considerable attention owing to their (i) excellent optical properties, (ii) processability, (iii) inherent tunability of the energetics, and (iv) synthetic versatility.
Economic analysis and optimal capacity sizing of turbo‐expander‐based microgrid
Authors: Ghanaee Reza , Foroud Asghar Akbari
Published: November 2016

These days, extensive efforts are being carried out to improve energy efficiency and energy recovery in various energy systems, such as extraction of energy from the high‐pressure natural gas (NG) in pressure reduction stations (PRSs) employing a turbo‐expander (TE). In conventional PRSs, NG pressure reduction is carried out by pressure regulators, leading to the loss of mechanical exergy available in the pressurised NG as heat. Thus, replacing a pressure regulator with TE allows the extraction of the mechanical exergy to change into electrical form of energy by coupling with a generator. So, a novel configuration is presented here for grid‐connected microgrid based on TE. Furthermore, a new procedure is developed for optimal capacity sizing of energy resources in the proposed TE‐based microgrid. Finally, optimisation results (with and without TE) and economical considerations are discussed.
Lost sales reduction and quality improvement with variable lead time and fuzzy costs in an imperfect production system
Authors: Soni Hardik N , Sarkar Biswajit , Mahapatra Amalendu Singha , Mazumder S.K.
Published: November 2016

This article investigates the effects of lost sales reduction and quality improvement in an imperfect production process under imprecise environment with simultaneously optimizing reorder point, order quantity, and lead time. This study assumes that the demand during lead time follows a mixture of normal distributions and the cost components are imprecise and vague. Under these assumptions, the aim is to study the lost sales reduction and the quality improvement in an uncertainty environment. The objective function in fuzzy sense is defuzzified using Modified Graded Mean Integration Representation Method (MGMIRM). For the defuzzified objective function, theoretical results are developed to establish optimal policies. Finally, some numerical examples and sensitivity analysis are provided to examine the effects of non-stochastic uncertainty.
Isotropic-nematic transition and cholesteric phases of helical Yukawa rods
Authors: Kuhnhold A. , Schilling T.
Published: November 2016

We present a Monte Carlo simulation study of helical Yukawa rods as a model for chiral liquid crystal mesogens. To simulate the cholesteric phase, we introduce a new simulation method that uses soft walls and self-determined boundary conditions. We observe that the isotropic-nematic phase transition is shifted to lower volume fractions with decreasing salt concentration as well as with increasing internal pitch of the rods. For particular sets of interaction parameters, the sense of the cholesteric pitch inverts, i.e., depending on concentration, mesogens of a given handedness can produce cholesteric phases of both chiral senses.
Wetting of a partially immersed compliant rod
Authors: Hui Chung-Yuen , Jagota Anand
Published: November 2016

The force on a solid rod partially immersed in a liquid is commonly used to determine the liquid-vapor surface tension by equating the measured force required to remove the rod from the liquid to the vertical component of the liquid-vapor surface tension. Here, we study how this process is affected when the rod is compliant. For equilibrium, we enforce force and configurational energy balance, including contributions from elastic energy. We show that, in general, the contact angle does not equal that given by Young's equation. If surface stresses are tensile, the strain in the immersed part of the rod is found to be compressive and to depend only on the solid-liquid surface stress. The strain in the dry part of the rod can be either tensile or compressive, depending on a combination of parameters that we identify. We also provide results for compliant plates partially immersed in a liquid under plane strain and plane stress. Our results can be used to extract solid surface stresses from such experiments.
Computation of resistive instabilities by matched asymptotic expansions
Authors: Glasser A. H. , Wang Z. R. , Park J.-K.
Published: November 2016

We present a method for determining the linear resistive magnetohydrodynamic (MHD) stability of an axisymmetric toroidal plasma, based on the method of matched asymptotic expansions. The plasma is partitioned into a set of ideal MHD outer regions, connected through resistive MHD inner regions about singular layers where q=m/n, with m and n toroidal mode numbers, respectively, and q the safety factor. The outer regions satisfy the ideal MHD equations with zero-frequency, which are identical to the Euler-Lagrange equations for minimizing the potential energy δW. The solutions to these equations go to infinity at the singular surfaces. The inner regions satisfy the equations of motion of resistive MHD with a finite eigenvalue, resolving the singularity. Both outer and inner regions are solved numerically by newly developed singular Galerkin methods, using specialized basis functions. These solutions are matched asymptotically, providing a complex dispersion relation which is solved for global eigenvalues and eigenfunctions in full toroidal geometry. The dispersion relation may have multiple complex unstable roots, which are found by advanced root-finding methods. These methods are much faster and more robust than the previous numerical methods. The new methods are applicable to more challenging high-pressure and strongly shaped plasma equilibria and generalizable to more realistic inner region dynamics. In the thermonuclear regime, where the outer and inner regions overlap, they are also much faster and more accurate than the straight-through methods, which treat the resistive MHD equations in the whole plasma volume.
Thermal metamaterial for convergent transfer of conductive heat with high efficiency
Authors: Shen Xiangying , Jiang Chaoran , Li Ying , Huang Jiping
Published: November 2016

It is crucially important to focus conductive heat in an efficient way, which has received much attention in energy science (say, solar cells), but is still far from being satisfactory due to the diffusive (divergent) nature of the heat. By developing a theory with hybrid transformations (rotation and stretch-compression), here we provide theoretical and experimental evidences for a type of thermal metamaterial called thermal converger. The converger is capable of convergently conducting heat in contrast to the known divergent behavior of heat diffusion, thus yielding a large heating region with high temperatures close to the heat source (high efficiency). The thermal converger further allows us to design a thermal grating—a thermal counterpart of optical grating. This work has relevance to heat focus with high efficiency, and it offers guidance both for efficient heat transfer and for designing thermal-converger-like metamaterials in other fields, such as electrics/magnetics, electromagnetics/optics, acoustics, and particle diffusion.
Studies on structural, optical, magnetic, and resistive switching properties of doped BiFe1-xCrxO3 thin films
Authors: Sharma Y. , Martinez R. , Agarwal R. , Barrionuevo D. , Katiyar R. K. , Kumar A. , Katiyar R. S.
Published: November 2016

We report the effect of multivalent Cr-ion doping on the structural, optical, magnetic, and resistive switching properties of BiFe1-xCrxO3 (BFCO) thin films (where, 0 ≤ x ≤ 0.15). BFCO thin films were deposited on Pt/TiO2/SiO2/Si (100) substrate using pulsed laser deposition technique. X-ray diffraction and micro-Raman analysis revealed the presence of a secondary phase in BFCO thin films, above 5% Cr doping concentrations. Enhanced magnetization was observed in BFCO films owing to ferromagnetic superexchange interaction between Fe and Cr-ions. X-ray photoelectron spectroscopy measurements revealed the multivalent states of Cr and Fe-ions, where suppression of oxygen vacancies due to Cr-ion doping in BFCO films was discussed based on the defect chemistry viewpoint. Moreover, current conduction and resistive switching properties were studied and the dominant switching mechanism was explained in the light of oxygen vacancies assisted filamentary conduction model.
Plasmonic terahertz modulator based on a grating-coupled two-dimensional electron system
Authors: Huang Y. D. , Yu Y. , Qin H. , Sun J. D. , Zhang Z. P. , Li X. X. , Huang J. J. , Cai Y.
Published: November 2016

Electrically driven broadband modulator with large modulation depth and high speed is in high demand to meet the technical advancing and applications in terahertz fields recently. So far, the single-particle non-resonant absorption mechanism described by the Drude conductivity has been utilized in most of the related researches but is still not efficient enough. Here we proposed and demonstrated a terahertz modulator based on the collective electron plasma excitations (plasmons) in a grating-coupled two-dimensional electron gas in GaN/AlGaN heterostructure. By switching between the resonant and non-resonant conditions of the 2D plasmon excitation enabled by applying proper gate biases, the transmission of terahertz electromagnetic waves can be efficiently manipulated. Taking advantage of its resonant characteristic combined with the strong electric field enhancement in the active region, we experimentally achieved a maximum intensity modulation depth of 93%, a 3 dB operation bandwidth of ∼400 kHz, and a small required driving voltage amplitude of 2 V at a cryogenic temperature of 8.7 K. Owing to its excellent performances, this active plasmon-based terahertz modulator may offer some promising solutions in several fields of terahertz technology in the future.
The constitutional liquation at the interface of Al/Mg friction welding joints
Authors: Liang Z. , Qin G. , Ma H. , Yang F. , Ao Z.
Published: November 2016

Constitutional liquation occurred at the friction interface of Al/Mg joints produced by continuous drive friction welding. This paper investigated the relationship between constitutional liquation and microstructure morphology of Al/Mg joints. The intermetallic compound γ-Al12Mg17 underwent morphological transitions from submicron-size particles to island-like lamellae, then to network structure as the Al content increased. The submicron-size γ-Al12Mg17 particles precipitated along the grain boundaries of α-Mg solid solution. The Mg–Al12Mg17 divorced eutectic structure was formed. The formation mechanism of eutectic structure was studied with Al–Mg binary phase diagram and Al–Mg–Zn ternary phase diagram. The network structure was derived from dendritic structure γ-Al12Mg17. Friction pressure could improve the liquid–solid hybrid microstructure morphology at the welding interface.
Thermodynamic and kinetic simulations of high temperature brazing: microstructure evolution in CMSX-4 joints
Authors: Riggs Bryan B. , Alexandrov Boian B. , Benatar Avraham A. , Xu Ray R.
Published: November 2016

In this study, thermodynamic and kinetic simulations with Thermo-Calc and DICTRA software were utilised to predict the microstructural evolution observed in brazing of high-strength nickel base single crystal superalloy, CMSX-4, with two commonly used filler metals (FMs), AWS BNi-2 (AMS 4777) and AWS BNi-9. DICTRA diffusion models of the Ni-B binary system were used to calculate base materials dissolution, the amount of centreline eutectic constituents and time required for complete isothermal solidification at various joint gaps. Thermo-Calc simulations using the CALPHAD technique predicted transformation temperatures and equilibrium phases of the joints based on the chemical compositions of the two FMs. Experimental brazing and characterisations of joint microstructure at various brazing temperatures, hold times and joint gaps were used to validate the simulation modelling results. Good correlation with both Thermo-Calc and DICTRA simulations and empirical data demonstrated the benefits of using this modelling approach for braze joint development and applications.
Cadherin-6B proteolysis promotes the neural crest cell epithelial-to-mesenchymal transition through transcriptional regulation
Authors: Schiffmacher Andrew T. , Xie Vivien , Taneyhill Lisa A.
Published: November 2016

During epithelial-to-mesenchymal transitions (EMTs), cells disassemble cadherin-based junctions to segregate from the epithelia. Chick premigratory cranial neural crest cells reduce Cadherin-6B (Cad6B) levels through several mechanisms, including proteolysis, to permit their EMT and migration. Serial processing of Cad6B by a disintegrin and metalloproteinase (ADAM) proteins and γ-secretase generates intracellular C-terminal fragments (CTF2s) that could acquire additional functions. Here we report that Cad6B CTF2 possesses a novel pro-EMT role by up-regulating EMT effector genes in vivo. After proteolysis, CTF2 remains associated with β-catenin, which stabilizes and redistributes both proteins to the cytosol and nucleus, leading to up-regulation of β-catenin, CyclinD1, Snail2, and Snail2 promoter-based GFP expression in vivo. A CTF2 β-catenin–binding mutant, however, fails to alter gene expression, indicating that CTF2 modulates β-catenin–responsive EMT effector genes. Notably, CTF2 association with the endogenous Snail2 promoter in the neural crest is β-catenin dependent. Collectively, our data reveal how Cad6B proteolysis orchestrates multiple pro-EMT regulatory inputs, including CTF2-mediated up-regulation of the Cad6B repressor Snail2, to ensure proper cranial neural crest EMT.
Assessment of the importance of neutron multiplication for tritium production
Authors: Chiovaro P. , Di Maio P.A.
Published: November 2016

One of the major requirements for a fusion power plant in the future is tritium self-sufficiency. For this reason the scientific community has dedicated a lot of effort to research activity on reactor tritium breeding blankets. In the framework of the international project DEMO, many concepts of breeding blanket have been taken into account and some of them will be tested in the experimental reactor ITER by means of appropriate test blanket modules (TBMs). All the breeding blanket concepts rely on the adoption of binary systems composed of a material acting as neutronic multiplier and another as a breeder. This paper addresses a neutronic feature of these kinds of systems. In particular, attention has been focused on the assessment of the importance of neutrons coming from multiplication reactions for the production of tritium. A theoretical framework has been set up and a procedure to evaluate the performance of the multiplier-breeder systems, under the aforementioned point of view, has been developed. Moreover, the model set up has been applied to helium cooled lithium lead and helium cooled pebble bad TBMs under irradiation in ITER and the results have been critically discussed.
Impact of lithium pellets on plasma performance in the ASDEX Upgrade all-metal-wall tokamak
Authors: Lang P.T. , Maingi R. , Mansfield D.K. , McDermott R.M. , Neu R. , Wolfrum E. , Arredondo Parra R. , Bernert M. , Birkenmeier G. , Diallo A. , Dunne M. , Fable E. , Fischer R. , Geiger B. , Hakola A. , Nikolaeva V. , Kappatou A. , Laggner F. , Oberkofler M. , Ploeckl B. , Potzel S. , Pütterich T. , Sieglin B. , Szepesi T.
Published: November 2016

The impact of lithium (Li) on plasma performance was investigated at the ASDEX Upgrade tokamak, which features a full tungsten wall. Li pellets containing 1.6  ×  1020 Li atoms were launched with a speed of 600 m s−1 to achieve deep penetration into the plasma and minimize the impact on the first wall. Homogeneous transient Li concentrations in the plasma of up to 15% were established. The Li sustainment time in the plasma decreased with an increasing heating power from 150 to 40 ms. Due to the pellet rate being restricted to 2 Hz, no Li pile-up could take place. No significant positive impact on plasma properties, as reported from other tokamak devices, could be found; the Li pellets rather caused a small reduction in plasma energy, mainly due to enhanced radiation. Due to pellet injection, a short-lived Li layer was formed on the plasma-facing components, which lasted a few discharges and led to moderately beneficial effects during plasma start-up. Most pellets were found to trigger type-I ELMs, either by their direct local perturbation or indirectly by the altered edge conditions; however, reliability was less than 100%.
Gradients of phosphatidylserine contribute to plasma membrane charge localization and cell polarity in fission yeast
Authors: Haupt Armin , Minc Nicolas
Published: November 2016

Surface charges at the inner leaflet of the plasma membrane may contribute to regulate the surface recruitment of key signaling factors. Phosphatidylserine (PS) is an abundant charged lipid that may regulate charge distribution in different cell types. Here we characterize the subcellular distribution and function of PS in the rod-shaped, polarized fission yeast. We find that PS preferably accumulates at cell tips and defines a gradient of negative charges along the cell surface. This polarization depends on actin-mediated endocytosis and contributes to the subcellular partitioning of charged polarity-regulating Rho GTPases like Rho1 or Cdc42 in a protein charge–dependent manner. Cells depleted of PS have altered cell dimensions and fail to properly regulate growth from the second end, suggesting a role for PS and membrane charge in polarized cell growth.
Regulation of Kif15 localization and motility by the C-terminus of TPX2 and microtubule dynamics
Authors: Mann Barbara J. , Balchand Sai K. , Wadsworth Patricia
Published: November 2016

Mitotic motor proteins generate force to establish and maintain spindle bipolarity, but how they are temporally and spatially regulated in vivo is unclear. Prior work demonstrated that a microtubule-associated protein, TPX2, targets kinesin-5 and kinesin-12 motors to spindle microtubules. The C-terminal domain of TPX2 contributes to the localization and motility of the kinesin-5, Eg5, but it is not known whether this domain regulates kinesin-12, Kif15. We found that the C-terminal domain of TPX2 contributes to the localization of Kif15 to spindle microtubules in cells and suppresses motor walking in vitro. Kif15 and Eg5 are partially redundant motors, and overexpressed Kif15 can drive spindle formation in the absence of Eg5 activity. Kif15-dependent bipolar spindle formation in vivo requires the C-terminal domain of TPX2. In the spindle, fluorescent puncta of GFP-Kif15 move toward the equatorial region at a rate equivalent to microtubule growth. Reduction of microtubule growth with paclitaxel suppresses GFP-Kif15 motility, demonstrating that dynamic microtubules contribute to Kif15 behavior. Our results show that the C-terminal region of TPX2 regulates Kif15 in vitro, contributes to motor localization in cells, and is required for Kif15 force generation in vivo and further reveal that dynamic microtubules contribute to Kif15 behavior in vivo.