bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamical amplification of magnetoresistances and Hall currents up to the THz regime
Authors: Guimarães Filipe S. M. , dos Santos Dias Manuel , Bouaziz Juba , Costa Antonio T. , Muniz Roberto B. , Lounis Samir
Published: June 2017

Spin-orbit-related effects offer a highly promising route for reading and writing information in magnetic units of future devices. These phenomena rely not only on the static magnetization orientation but also on its dynamics to achieve fast switchings that can reach the THz range. In this work, we consider Co/Pt and Fe/W bilayers to show that accounting for the phase difference between different processes is crucial to the correct description of the dynamical currents. By tuning each system towards its ferromagnetic resonance, we reveal that dynamical spin Hall angles can non-trivially change sign and be boosted by over 500%, reaching giant values. We demonstrate that charge and spin pumping mechanisms can greatly magnify or dwindle the currents flowing through the system, influencing all kinds of magnetoresistive and Hall effects, thus impacting also dc and second harmonic experimental measurements.
Chemosensory sensitivity reflects reproductive status in the ant Harpegnathos saltator
Authors: Ghaninia Majid , Haight Kevin , Berger Shelley L. , Reinberg Danny , Zwiebel Laurence J. , Ray Anandasankar , Liebig Jürgen
Published: June 2017

Insects communicate with pheromones using sensitive antennal sensilla. Although trace amounts of pheromones can be detected by many insects, context-dependent increased costs of high sensitivity might lead to plasticity in sensillum responsiveness. We have functionally characterized basiconic sensilla of the ant Harpegnathos saltator for responses to general odors in comparison to cuticular hydrocarbons which can act as fertility signals emitted by the principal reproductive(s) of a colony to inhibit reproduction by worker colony members. When released from inhibition workers may become reproductive gamergates. We observed plasticity in olfactory sensitivity after transition to reproductive status with significant reductions in electrophysiological responses to several long-chained cuticular hydrocarbons. Although gamergates lived on average five times longer than non-reproductive workers, the shift to reproductive status rather than age differences matched the pattern of changes in olfactory sensitivity. Decreasing sensillum responsiveness to cuticular hydrocarbons could potentially reduce mutually inhibitory or self-inhibitory effects on gamergate reproduction.
Bovine antibodies targeting primary and recurrent Clostridium difficile disease are a potent antibiotic alternative
Authors: Hutton Melanie L. , Cunningham Bliss A. , Mackin Kate E. , Lyon Shelley A. , James Meagan L. , Rood Julian I. , Lyras Dena
Published: June 2017

The increased incidence of antibiotic resistant ‘superbugs’ has amplified the use of broad spectrum antibiotics worldwide. An unintended consequence of antimicrobial treatment is disruption of the gastrointestinal microbiota, resulting in susceptibility to opportunistic pathogens, such as Clostridium difficile. Paradoxically, treatment of C. difficile infections (CDI) also involves antibiotic use, leaving patients susceptible to re-infection. This serious health threat has led to an urgent call for the development of new therapeutics to reduce or replace the use of antibiotics to treat bacterial infections. To address this need, we have developed colostrum-derived antibodies for the prevention and treatment of CDI. Pregnant cows were immunised to generate hyperimmune bovine colostrum (HBC) containing antibodies that target essential C. difficile virulence components, specifically, spores, vegetative cells and toxin B (TcdB). Mouse infection and relapse models were used to compare the capacity of HBC to prevent or treat primary CDI as well as prevent recurrence. Administration of TcdB-specific colostrum alone, or in combination with spore or vegetative cell-targeted colostrum, prevents and treats C. difficile disease in mice and reduces disease recurrence by 67%. C. difficile-specific colostrum should be re-considered as an immunotherapeutic for the prevention or treatment of primary or recurrent CDI.
Multiplexed Spliced-Leader Sequencing: A high-throughput, selective method for RNA-seq in Trypanosomatids
Authors: Cuypers Bart , Domagalska Malgorzata A. , Meysman Pieter , Muylder Géraldine de , Vanaerschot Manu , Imamura Hideo , Dumetz Franck , Verdonckt Thomas Wolf , Myler Peter J. , Ramasamy Gowthaman , Laukens Kris , Dujardin Jean-Claude
Published: June 2017

High throughput sequencing techniques are poorly adapted for in vivo studies of parasites, which require prior in vitro culturing and purification. Trypanosomatids, a group of kinetoplastid protozoans, possess a distinctive feature in their transcriptional mechanism whereby a specific Spliced Leader (SL) sequence is added to the 5′end of each mRNA by trans-splicing. This allows to discriminate Trypansomatid RNA from mammalian RNA and forms the basis of our new multiplexed protocol for high-throughput, selective RNA-sequencing called SL-seq. We provided a proof-of-concept of SL-seq in Leishmania donovani, the main causative agent of visceral leishmaniasis in humans, and successfully applied the method to sequence Leishmania mRNA directly from infected macrophages and from highly diluted mixes with human RNA. mRNA profiles obtained with SL-seq corresponded largely to those obtained from conventional poly-A tail purification methods, indicating both enumerate the same mRNA pool. However, SL-seq offers additional advantages, including lower sequencing depth requirements, fast and simple library prep and high resolution splice site detection. SL-seq is therefore ideal for fast and massive parallel sequencing of parasite transcriptomes directly from host tissues. Since SLs are also present in Nematodes, Cnidaria and primitive chordates, this method could also have high potential for transcriptomics studies in other organisms.
Inhibition of Calpains Protects Mn-Induced Neurotransmitter release disorders in Synaptosomes from Mice: Involvement of SNARE Complex and Synaptic Vesicle Fusion
Authors: Wang Can , Xu Bin , Ma Zhuo , Liu Chang , Deng Yu , Liu Wei , Xu Zhao-Fa
Published: June 2017

Overexposure to manganese (Mn) could disrupt neurotransmitter release via influencing the formation of SNARE complex, but the underlying mechanisms are still unclear. A previous study demonstrated that SNAP-25 is one of substrate of calpains. The current study investigated whether calpains were involved in Mn-induced disorder of SNARE complex. After mice were treated with Mn for 24 days, Mn deposition increased significantly in basal nuclei in Mn-treated and calpeptin pre-treated groups. Behaviorally, less time spent in the center of the area and decreased average velocity significantly in an open field test after 24 days of Mn exposure. With the increase in MnCl2 dosage, intracellular Ca2+ increased significantly, but pretreatment with calpeptin caused a dose-dependent decrease in calpains activity. There were fragments of N-terminal of SNAP-25 protein appearance in Mn-treated groups, but it is decreased with pretreatment of calpeptin. FM1-43-labeled synaptic vesicles also provided evidence that the treatment with Mn resulted in increasing first and then decreasing, which was consistent with Glu release and the 80 kDa protein levels of SNARE complexes. In summary, Mn induced the disorder of neurotransmitter release through influencing the formation of SNARE complex via cleaving SNAP-25 by overactivation of calpains in vivo.
Analysis of ribonuclease activity in sub-nanoliter droplets by label-free fluorescence measurements
Authors: Choi Jae-Won , Vasamsetti Bala Murali Krishna , Kim Kyu-Wan , Seo Seung Hwan , Lee Dong-Hun , Chang Soo-Ik , Choo Jaebum , Kim Hak Yong
Published: June 2017

We report the results of a label-free analysis of ribonuclease activity using droplet-based microfluidics.
A systematic computational study of the structure crossover and coordination number distribution of metallic nanoparticles
Authors: Myshlyavtsev Alexander V. , Stishenko Pavel V. , Svalova Anna I.
Published: June 2017

Stable configurations for three nanoparticle structure motifs of eight transition metals are analyzed in terms of the distribution of the coordination numbers with analytical approximation of energy provided.
Mass spectrometry imaging for clinical research – latest developments, applications, and current limitations
Authors: Vaysse Pierre-Maxence , Heeren Ron M. A. , Porta Tiffany , Balluff Benjamin
Published: June 2017

Significant technological and methodological improvements have contributed to enhance the performance of mass spectrometry imaging for clinical research, but challenges for a final translation remain.
A precise and accurate microfluidic droplet dilutor
Authors: Postek W. , Kaminski T. S. , Garstecki P.
Published: June 2017

Metering droplets at a single hydrodynamic trap allows us to obtain highly accurate and precise two-fold dilutions of a sample.
Bioinspired onion epithelium-like structure promotes the maturation of cardiomyocytes derived from human pluripotent stem cells
Authors: Xu Cong , Wang Li , Yu Yue , Yin Fangchao , Zhang Xiaoqing , Jiang Lei , Qin Jianhua
Published: June 2017

Organized cardiomyocyte alignment is critical to maintain the mechanical properties of the heart.
Hexagonal boron nitride supported mesoSiO2-confined Ni catalysts for dry reforming of methane
Authors: Cao Yang , Lu Meirong , Fang Jianhui , Shi Liyi , Zhang Dengsong
Published: June 2017

Hexagonal boron nitride supported mesoSiO2-confined Ni catalysts were designed and developed for dry reforming of methane.
Dissecting mechanism of coupled folding and binding of an intrinsically disordered protein by chemical synthesis of conformationally constrained analogues
Authors: Schmidtgall Boris , Chaloin Olivier , Bauer Valentin , Sumyk Manuela , Birck Catherine , Torbeev Vladimir
Published: June 2017

Non-canonical α-methyl amino acids were incorporated at various sites in the sequence of intrinsically disordered activation domain from the p160 transcriptional co-activator (ACTR) to facilitate the formation of α-helical structures.
Base-catalyzed cascade synthesis of 2,3-dihydrofuro[2,3-b]pyridines and 2,3-dihydro-1H-pyrrolo[2,3-b]pyridines from N-propargylic β-enaminones
Authors: Yang Xiaobing , Hu Fangzhong , Wang Yang , Yang Chiming , Zou Xiaomao , Liu Jiahui , Zhang Qichun
Published: June 2017

A novel protocol to prepare dihydrofuropyridine and dihydropyrrolopyridine derivatives from KOH-catalyzed reactions between N-propargylic β-enaminones and arylaldehydes or N-sulfonyl imines has been developed.
Towards the photophysical studies of humin by-products
Authors: Filiciotto Layla , de Miguel Gustavo , Balu Alina M. , Romero Antonio A. , van der Waal Jan C. , Luque Rafael
Published: June 2017

Photophysical studies on humins and separated humin fractions were carried out using steady-state and time-resolve fluorescence techniques.
Tuning the photocatalytic activity of bismuth wolframate: towards selective oxidations for the biorefinery driven by solar-light
Authors: Ciriminna Rosaria , Delisi Riccardo , Parrino Francesco , Palmisano Leonardo , Pagliaro Mario
Published: June 2017

The sol–gel entrapment of nanostructured Bi2WO6 enhances the activity and the selectivity of the short-gap semiconductor in the sunlight-driven photo-oxidation of trans-ferulic and trans-cinnamic acid dissolved in water with air as the primary oxidant.
Growth of single crystalline boron nanotubes in a Cu alloy
Authors: Wu Yuying , Li Yifan , Chen Houwen , Sun Zuxin , Wang Na , Qin Jingyu , Li Hui , Bian Xiufang , Liu Xiangfa
Published: June 2017

Herein, we report the successful synthesis of single crystalline boron nanotubes in a Cu alloy via a novel and simple direct melt reaction process.
Crystal growth and characterization of the pyrochlore Tb2Ti2O7
Authors: Klimm D. , Guguschev C. , Kok D. J. , Naumann M. , Ackermann L. , Rytz D. , Peltz M. , Dupré K. , Neumann M. D. , Kwasniewski A. , Schlom D. G. , Bickermann M.
Published: June 2017

Terbium titanate (Tb2Ti2O7) is a spin-ice material with remarkable magneto-optical properties.
Solvation of a chiral carboxylic acid: effects of hydrogen bonding on the IR and VCD spectra of α-methoxyphenylacetic acid
Authors: Bünnemann Karoline , Merten Christian
Published: June 2017

Taking the title compound as a representative example of a chiral carboxylic acid, we investigate how its VCD spectral pattern is affected by hydrogen bonding of different solvents.
2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies
Authors: Sánchez-Rodríguez José A. , Mohamadzade Abed , Mai Sebastian , Ashwood Brennan , Pollum Marvin , Marquetand Philipp , González Leticia , Crespo-Hernández Carlos E. , Ullrich Susanne
Published: June 2017

The excitation-wavelength dependence of the intersystem crossing (ISC) dynamics of 2-thiouracil was studied in gas-phase and solution.
Identifying the bottleneck of water oxidation by ab initio analysis of in situ optical absorbance spectrum
Authors: Yatom Natav , Elbaz Yuval , Navon Shelly , Caspary Toroker Maytal
Published: June 2017

Hematite's (α-Fe2O3) major limitation to efficiently splitting water using sunlight is the low rate of the oxygen evolution reaction (OER).
Single-molecule probing of amyloid nano-ensembles using the polymer nanoarray approach
Authors: Maity Sibaprasad , Viazovkina Ekaterina , Gall Alexander , Lyubchenko Yuri L.
Published: June 2017

A polymeric nanoarray strategy was used for the first time to probe amyloid nano-assemblies from Aβ(14–23) peptides using single molecule techniques. Our results suggest that changes in pH alter the assembly process.
Photoconductivity and magnetoconductance effects on vacuum vapor deposition films of weak charge-transfer complexes
Authors: Kato Ken , Hagi Shogo , Hinoshita Masumi , Shikoh Eiji , Teki Yoshio
Published: June 2017

Thin films of weak charge-transfer complexes (pyrene/dimethylpyromellidiimide or pyrene/pyromellitic dianhydride) were investigated by time-resolve ESR, photoconductivity, and magneto-photoconductance measurements.
Ultrafast dynamics in the DNA building blocks thymidine and thymine initiated by ionizing radiation
Authors: Månsson E. P. , De Camillis S. , Castrovilli M. C. , Galli M. , Nisoli M. , Calegari F. , Greenwood J. B.
Published: June 2017

Ultrafast dynamics and fragmentation of thymidine and thymine after ionization by attosecond extreme ultraviolet radiation studied in the time-domain.
Stabilization vs. destabilization of G-quadruplex superstructures: the role of the porphyrin derivative having spermine arms
Authors: D'Urso A. , Randazzo R. , Rizzo V. , Gangemi C. M. A. , Romanucci V. , Zarrelli A. , Tomaselli G. , Milardi D. , Borbone N. , Purrello R. , Piccialli G. , Di Fabio G. , Oliviero G.
Published: June 2017

Induction of different complexes including GQ superstructures, depending on the method used (titrationvs.single addition) to add the spermine porphyrin derivative.
A visible-light active TiO2photocatalyst multilayered with WO3
Authors: Jia Junjun , Taniyama Kenta , Imura Masaaki , Kanai Toshimasa , Shigesato Yuzo
Published: June 2017

Sputter-deposited TiO2films with high visible-light photocatalytic activity were successfully realized by a hybrid TiO2/Pt/WO3film structure with Pt nanoparticles uniformly distributed at the interface of the TiO2and WO3films.
Photoinduced structural distortions and singlet–triplet intersystem crossing in Cu(i) MLCT excited states monitored by optically gated fluorescence spectroscopy
Authors: Garakyaraghi Sofia , Koutnik Petr , Castellano Felix N.
Published: June 2017

Comprehensive analysis of the photo-induced structural distortions and singlet–triplet intersystem crossing dynamics of a series of Cu(i) phenanthroline chromophores.
Non-isothermal kinetics of spin crossover
Authors: Bushuev Mark B. , Nikolaenkova Elena B. , Krivopalov Viktor P.
Published: June 2017

Non-isothermal magnetic studies can be used to estimate the activation energy of cooperative spin transition.
Perturbation of cationic equilibrium by cucurbit-7-uril
Authors: Behera Santosh Kumar , Krishnamoorthy G.
Published: June 2017

The effect of cucurbit-7-uril (CB-7) on a catonic mixture with the same charge has been investigated by studying monocationic mixtures of 2-(4′-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine (DMAPIP-b) and 2-(4′-N,N-dimethylaminophenyl)imidazo[4,5-c]pyridine (DMAPIP-c).
Understanding the polymorphism-dependent emission properties of molecular crystals using a refined QM/MM approach
Authors: Li Yunzhi , Wang Guoqiang , Li Wei , Wang Yue , Li Shuhua
Published: June 2017

We proposed a refined QM/MM approach with automatically building cluster models for understanding the emission properties of various molecular crystals.
Base-controlled highly selective synthesis of alkyl 1,2-bis(boronates) or 1,1,2-tris(boronates) from terminal alkynes
Authors: Gao Guoliang , Yan Jianxiang , Yang Kai , Chen Fener , Song Qiuling
Published: June 2017

Transition-metal-free base-controlled highly regioselective synthesis of alkyl 1,2-bis(boronates) or 1,1,2-tris(boronates) from various terminal alkynes has been disclosed.
Potential of the hydride generation technique coupled to inductively coupled plasma optical emission spectrometry for non-chromatographic As speciation
Authors: Welna Maja , Pohl Pawel
Published: June 2017

Selective procedures for determination of As(iii), As(v), DMA and MMA directly by HG-ICP OES were evaluated.
Deciphering the origins of molecular toxicity of combretastatin A4 and its glycoconjugates: interactions with major drug transporters and their safety profiles in vitro and in vivo
Authors: Huang Zhenhua , Li Gentao , Wang Xue , Xu Hu , Zhang Youcai , Gao Qingzhi
Published: June 2017

This study focuses on drug safety and transport mechanisms of CA4 and their glycoconjugates, and aims to engage a new strategy in safer drug design.
Silica-based multifunctional nanodelivery systems toward regenerative medicine
Authors: Perez Roman A. , Singh Rajendra K. , Kim Tae-Hyun , Kim Hae-Won
Published: June 2017

Silica nanomaterials with unique physico-chemical and biological properties can potentially be used in regenerative medicine fields.
Synthesis and fluorosolvatochromic properties of 1,7-annulated indoles
Authors: Giardinetti Maxime , Marrot Jérôme , Coeffard Vincent , Moreau Xavier , Greck Christine
Published: June 2017

New push–pull indole-based fluorescent dyes have been prepared and these compounds exhibit fluorosolvatochromic properties.
Iron–manganese–titanium (1 : 1 : 2) oxide composite thin films for improved photocurrent efficiency
Authors: Mansoor M. A. , Munawar K. , Lim S. P. , Huang N.-M. , Mazhar M. , Akhtar M. J. , Siddique M.
Published: June 2017

Fe2MnTi3O10–MnTiO3 composite thin films with a photocurrent density of 1.88 mA cm−2 at 0.2 V have been deposited through AACVD.
Metal–organic framework-induced formation of core–shell ZnCo2O4 spheres composed by nanoparticles with enhanced lithium storage properties
Authors: Chen Dahong , Chen Gang , Pei Jian , Yan Chunshuang , Hu Yongyuan , Qin Zhongzheng
Published: June 2017

In this study, core–shell ZnCo2O4 spheres composed by nanoparticles were prepared via constructing a novel zeolitic imidazolate framework (ZIF) sphere with the assistance of citric acid.
Synthetic, spectral and structural studies of a Schiff base and its anticorrosive activity on mild steel in H2SO4
Authors: Kumar Akshay , Trivedi Manoj , Bhaskaran Bhaskaran , Kishore Sharma Raj , Singh Gurmeet
Published: June 2017

A Schiff base compound,L, was developed as a mixed-type corrosion inhibitor to efficiently protect mild steel from corrosion in 0.5 M H2SO4solution in a temperature range of 25 °C to 55 °C.
Synthesis of pyridine-alkoxide ligands for formation of polynuclear complexes
Authors: Shopov Dimitar Y. , Sharninghausen Liam S. , Sinha Shashi Bhushan , Borowski Julia E. , Mercado Brandon Q. , Brudvig Gary W. , Crabtree Robert H.
Published: June 2017

A series of novel polydentate N,O-donor ligands strongly favour formation of polynuclear complexes.
Mapping stress in polycrystals with sub-10 nm spatial resolution
Authors: Polop C. , Vasco E. , Perrino A. P. , Garcia R.
Published: June 2017

From aircraft to electronic devices, and even in Formula One cars, stress is the main cause of degraded material performance and mechanical failure in applications incorporating thin films and coatings.
Host–guest driven ligand replacement on monodisperse inorganic nanoparticles
Authors: Shirmardi Shaghasemi B. , Dehghani E. S. , Benetti E. M. , Reimhult E.
Published: June 2017

We demonstrate that crown ether-assisted ligand replacement on Fe3O4 NPs using halide salts leads to quantitative stripping of an existing stabilizer shell with unprecedented (complete) efficiency; this allows subsequent re-grafting of functional ligands at maximal surface density.
Damage-free tip-enhanced Raman spectroscopy for heat-sensitive materials
Authors: Mochizuki Masahito , Lkhamsuren Ganchimeg , Suthiwanich Kasinan , Mondarte Evan Angelo , Yano Taka-aki , Hara Masahiko , Hayashi Tomohiro
Published: June 2017

We report a method to establish experimental conditions for tip-enhanced Raman spectroscopy (TERS) with low thermal and mechanical damage to samples.
Palladium-catalyzed C–H alkylation of 2-phenylpyridines with alkyl iodides
Authors: Wang Xiaoling , Ji Xiaoming , Shao Changdong , Zhang Yu , Zhang Yanghui
Published: June 2017

Palladium-catalyzed C–H alkylation reaction of 2-phenylpyridines with alkyl iodides has been successfully developed. The palladacycles obtained from 2-phenylpyridines acted as the key intermediates in the alkylation reaction.
Thermoresponsivity of polymer solution derived from a self-attractive urea unit and a self-repulsive lipophilic ion unit
Authors: Amemori Shogo , Iseda Kazuya , Anan Shizuka , Ono Toshikazu , Kokado Kenta , Sada Kazuki
Published: June 2017

Proper design of a self-attractive unit and a self-repulsive ion unit on a polymer chain successfully generated thermoresponsivity in non-aqueous solvents.
Novel wide band gap copolymers featuring excellent comprehensive performance towards the practical application for organic solar cells
Authors: Yang Dalei , Li Zelin , Li Zidong , Zhao Xiaoli , Zhang Tong , Wu Fan , Tian Yumeng , Ye Feng , Sun Zhaoyan , Yang Xiaoniu
Published: June 2017

A novel WBG copolymer exhibits a high PCE of 9.42% with a thick active layer and remarkable thermal stability.
Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives
Authors: Huang Zhe , Zhan Ming , Zhang Shaoguang , Luo Qian , Zhang Wen-Xiong , Xi Zhenfeng
Published: June 2017

Treatment of Δ1-dipyrrolines with NBS afforded α,α′-dibromo-Δ1-bipyrrolines and α,α,α′,α′-tetrabromo-Δ1-bipyrrolines, which were efficiently transformed into 2,6-diazasemibullvalene derivatives via reduction with lithium.
Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines
Authors: Yan Hao , Li Xincheng , Wang Chunxiang , Wan Boshun
Published: June 2017

A silver-catalyzed intermolecular cyclization of nitrones with 2-azetine has been developed for the synthesis of 2,3-disubstituted quinolines under mild conditions.
Stable sandwich structures of two-dimensional iron borides FeBxalloy: a first-principles calculation
Authors: Xu Shao-Gang , Zhao Yu-Jun , Yang Xiao-Bao , Xu Hu
Published: June 2017

Multilayer iron borides FeBx(x= 4, 6, 8, 10) are wide-band-gap semiconductors; the electronic and optical properties of these semiconductors may be modulated by biaxial strains.
Facile fabrication of AIE/AIEE-active fluorescent nanoparticles based on barbituric for cell imaging applications
Authors: Li Kai , Zhang Yang , Qiao Bing , Tao Furong , Li Tianduo , Ding Yunqiao , Raymo Françisco M. , Cui Yuezhi
Published: June 2017

Compounds 1–4 were synthesized, and the optical properties and mechanisms were investigated. Compound 4 was applied to the cell imaging.
MnO2 aerogels for highly efficient oxidative degradation of Rhodamine B
Authors: Sun Hang , Shang Yinxing , Xu Kongliang , Tang Yanan , Li Jiayi , Liu Zhenning
Published: June 2017

MnO2 aerogels with large open pores and high surface areas have demonstrated highly efficient oxidative degradation of Rhodamine B.
Paclitaxel-loaded pluronic F127/P123 silica nanocapsules with surface conjugated rhTRAIL for targeted cancer therapy
Authors: Liu Xin , Li Yuebin , He Jian , Zhao Tingting , Chen Changmei , Gu Haoshuang , Wang Xingguo
Published: June 2017

A novel anticancer drug PFPSNT, paclitaxel (PTX)-loaded polymeric F127/P123 silica nanocapsules conjugated with TRAIL (tumor necrosis factor (TNF)-related apoptosis-inducing ligand), was designed and synthesized.
Sol–gel-processed amorphous inorganic lithium ion electrolyte thin films: sol chemistry
Authors: Zheng Zhangfeng , Zhang Yubin , Song Shidong , Wang Yan
Published: June 2017

The acetate–alkoxide route is not suitable for the preparation of a sol–gel-processed amorphous inorganic lithium ion electrolyte.
Catalyst-controlled regioselectivity in phosphine catalysis: the synthesis of spirocyclic benzofuranones via regiodivergent [3 + 2] annulations of aurones and an allenoate
Authors: Ni Huanzhen , Yu Zhaoyuan , Yao Weijun , Lan Yu , Ullah Nisar , Lu Yixin
Published: June 2017

Catalyst-controlled regiodivergent [3 + 2] annulations of aurones and allenoates have been developed.
A dual-functional indium–organic framework towards organic pollutant decontamination via physically selective adsorption and chemical photodegradation
Authors: Li Qing , Xue Dong-Xu , Zhang Yu-Feng , Zhang Zong-Hui , Gao Ziwei , Bai Junfeng
Published: June 2017

An anionic indium–organic framework has been deliberately and successfully prepared, which demonstrates not only selective adsorption but also actively photocatalytic efficiencies towards dyes of MB and MO.
Carbon quantum dots/block copolymer ensembles for metal-ion sensing and bioimaging
Authors: Skaltsas T. , Goulielmaki M. , Pintzas A. , Pispas S. , Tagmatarchis N.
Published: June 2017

Carbon quantum dots/block copolymer/bovine serum albumin nanoensembles for metal ion sensing and bioimaging.
Antiviral activity of self-assembled glycodendro[60]fullerene monoadducts
Authors: Muñoz Antonio , Illescas Beatriz M. , Luczkowiak Joanna , Lasala Fátima , Ribeiro-Viana Renato , Rojo Javier , Delgado Rafael , Martín Nazario
Published: June 2017

Supramolecular assemblies of amphiphilic glycodendro[60]fullerenes have been tested in an artificial Ebola virus infection assay.
Theoretical investigation of the electronic structure and luminescence properties for NdxY1−xAl3(BO3)4nonlinear laser crystal
Authors: Ju Meng , Sun Guo-liang , Kuang Xiao-yu , Lu Cheng , Zhu Yong-sheng , Yeung Yau-yuen
Published: June 2017

Our study firstly identifies a stable configuration withC2 space group for a Nd-doped YAB crystal.
Defect-free, high resolution patterning of liquid metals using reversibly sealed, reusable polydimethylsiloxane microchannels for flexible electronic applications
Authors: Yang Jinbin , Zhou Tingjiao , Zhang Liyun , Zhu Deyong , Handschuh-Wang Stephan , Liu Zhou , Kong Tiantian , Liu Yizhen , Zhang Junmin , Zhou Xuechang
Published: June 2017

High quality patterns of liquid metals were fabricated by transferring frozen liquid metals from PDMS microchannels to PDMS substrates.
Psychosocial and Aesthetic Advantages of Reconstruction after Prophylactic Mastectomy: A Quality of Life and Aesthetic Analysis
Authors: Manahan Michele , Baltodano Pablo , Reinhardt Myrna , Xie Li , Muste Justin , Tajamal Rehan , Mohan Raja , Flores José , Drogt Carolyn , Cooney Carisa , Rosson Gedge
Published: June 2017

Background Proper patient counseling regarding reconstruction after prophylactic mastectomy (PM) requires greater understanding of quality of life (QoL) and aesthetic outcomes. Our study evaluates these end points using the validated BREAST-Q and Garbay system.

Methods We performed a retrospective chart review of 1,254 mastectomy patients (July 2008 through July 2012). Of those with completed preoperative BREAST-Q and reconstruction with a minimum of 6-month follow-up, 18 underwent bilateral PM (BPM), 36 underwent contralateral PM (CPM), and 30 matched controls were selected who underwent unilateral therapeutic mastectomy (TM) with contralateral symmetry procedure. Preoperative and 6-month postreconstruction BREAST-Q scores were compared within and between groups. Subsequently, aesthetic evaluation of 21 of a group of randomly selected reconstructions (7 TM, 7 CPM, and 7 BPM) was performed by 14 plastic surgery researchers. Potential correlations between aesthetic evaluations and QoL outcomes were examined.

Results Demographic characteristics, preoperative satisfaction scores, and postoperative morbidity rates were similar among all three groups. Although reconstruction after BPM was associated with improved aesthetic outcomes (p < 0.001), a significant postoperative increase in satisfaction with breasts was noted only in the TM group (p = 0.006). CPM was associated with improved psychosocial well-being (p = 0.039) in our study. No further significant differences were noted.

Conclusion Although BPM with reconstruction is associated with higher aesthetic outcomes compared with CPM or TM, QoL is not significantly increased. Reconstruction after CPM, but not BPM, is associated with increased psychosocial well-being. These valuable findings should be taken into account during preoperative counseling regarding elective PMs.
Women with Symptomatic Preterm Birth Have a Distinct Cervicovaginal Metabolome
Authors: Anglim Laura , Romero Julie , Brown Amy , Elovitz Michal , Ghartey Jeny
Published: June 2017

Objective The objective was to determine if women with symptoms of preterm labor who ultimately have a spontaneous preterm birth (sPTB) have a distinct cervicovaginal (CV) metabolome compared with women who deliver at term.

Study Design A nested case–control study of women presenting with symptoms of preterm labor was performed. CV fluid was collected from women between 22 and 336/7 weeks' gestation. The CV metabolome was compared between women with sPTB (n = 20) and women who delivered at term (n = 30). Global biochemical profiles were determined using ultraperformance liquid chromatography/tandem mass spectrometry. Welch's two-sample t-test was used to identify metabolites that differed significantly. Level of significance was defined as p ≤ 0.05.

Results Eighty-eight percent of women were African-American and none had a prior history of sPTB. A total of 301 metabolites were identified in CV fluid. Thirty metabolites were significantly different in women with preterm birth compared with term birth. Two metabolites (mannitol and methyl phosphate) were significantly upregulated, and the remaining 28 metabolites were significantly downregulated and consisted of medium chain-fatty acids and collagen degradation markers.

Conclusion The CV metabolome is significantly altered among women who present with preterm labor symptoms and ultimately have a sPTB.
Identifikation typischer Bewegungskontexte von Kindern als Ansatzpunkt für die
Bewegungsförderung
Authors: Wirsik N. , Sprengeler O. , Brandes M. , Pohlabeln H.
Published: June 2017

Zur Prävention kindlichen Übergewichts ist es wichtig, typische Bewegungskontexte von Kindern zu
identifizieren, um so optimale Ansatzpunkte zur Bewegungsförderung zu ermitteln. Das im Folgenden
vorgestellte Projekt kombiniert dazu subjektive und objektive Messungen der körperlichen Aktivität von 2-
bis 10-jährigen Kindern aus der europaweiten IDEFICS-Studie. Die objektive Messung körperlicher Aktivität
erfolgte für N = 9980 Kinder mit Akzelerometern. Es wird hier ein Verfahren beschrieben, mit dem
Informationen aus Bewegungstagebüchern zu Nichttragezeiten berücksichtigt werden können, um so die
Akzelerometerdaten anzureichern und damit insgesamt die Beschreibung des kindlichen Bewegungsverhaltens
zu verbessern.
Umgang und Aufbereitung semikritischer Medizinprodukte in der HNO – eine prospektive Studie
Authors: Hülse Roland , Wenzel Angela , Sommer J. Ulrich , Hülse Manfred , Hörmann Karl
Published: June 2017

Zahlreiche Gesetze, Vorgaben, Richtlinien und Empfehlungen regeln und beeinflussen den Umgang und die Aufbereitung semikritischer
Medizinprodukte in der HNO. Obwohl als vorrangig zu verwenden charakterisiert, wird nach wie vor in den meisten HNO-Kliniken und Praxen aus
Kosten- und Praktikabilitätsgründen die manuelle der maschinellen Aufbereitung vorgezogen. In der vorliegenden Studie wurde ein optimiertes
Hygienekonzept erstellt. Es fand eine Bedarfsanalyse starrer Endoskope und des HNO-Instrumentariums bei ausschließlich maschineller
Aufbereitung statt. Erstmals wurden zudem patientenferne Tätigkeiten im Rahmen der Patientenuntersuchung zeitlich untersucht. Im Ergebnis
zeigt sich, dass patientenferne Tätigkeiten im Umgang mit dem HNO-Instrumentarium einen erheblichen Zeit- und damit auch Kostenfaktor in der
Patientenversorgung darstellen. Die nötigen Investitionen für eine rein maschinelle Aufbereitung des Instrumentariums und ins Besondere
starrer Endoskope sind erheblich, da die Durchlaufzeit und damit die Anzahl an vorzuhaltenden Endoskopen sehr hoch ist.
Density and spacings for the energy levels of quadratic Fermi operators
Authors: Cunden Fabio Deelan , Maltsev Anna , Mezzadri Francesco
Published: June 2017

The work presents a proof of convergence of the density of energy levels to a Gaussian distribution for a wide class of quadratic forms of Fermi operators. This general result applies also to quadratic operators with disorder, e.g., containing random coefficients. The spacing distribution of the unfolded spectrum is investigated numerically. For generic systems, the level spacings behave as the spacings in a Poisson process. Level clustering persists in the presence of disorder.
Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations
Authors: Weichman Marissa L. , Cheng Lan , Kim Jongjin B. , Stanton John F. , Neumark Daniel M.
Published: June 2017

A joint experimental and theoretical study is reported on the low-lying vibronic level structure of the ground state of the methoxy radical using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled, mass-selected anions (cryo-SEVI) and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations. The KDC vibronic model Hamiltonian in the present study was parametrized using high-level quantum chemistry, allowing the assignment of the cryo-SEVI spectra for vibronic levels of CH3O up to 2000 cm−1 and of CD3O up to 1500 cm−1 above the vibrational origin, using calculated vibronic wave functions. The adiabatic electron affinities of CH3O and CD3O are determined from the cryo-SEVI spectra to be 1.5689 ± 0.0007 eV and 1.5548 ± 0.0007 eV, respectively, demonstrating improved precision compared to previous work. Experimental peak splittings of <10 cm−1 are resolved between the e1/2 and e3/2 components of the 61 and 51 vibronic levels. A pair of spin-vibronic levels at 1638 and 1677 cm−1 were predicted in the calculation as the e1/2 and e3/2 components of 62 levels and experimentally resolved for the first time. The strong variation of the spin-orbit splittings with a vibrational quantum number is in excellent agreement between theory and experiment. The observation of signals from nominally forbidden a1 vibronic levels in the cryo-SEVI spectra also provides direct evidence of vibronic coupling between ground and electronically excited states of methoxy.
The entropy of a complex molecule
Authors: Faure Gérôme , Delgado-Buscalioni Rafael , Español Pep
Published: June 2017

Entropy is a central concept in the theory of coarse-graining. Through Einstein’s formula, it provides the equilibrium probability distribution of the coarse-grained variables used to describe the system of interest. We study with molecular dynamics simulations the equilibrium probability distribution of thermal blobs representing at a coarse-grained level star polymer molecules in melt. Thermal blobs are characterized by the positions and momenta of the centers of mass, and internal energies of the molecules. We show that the entropy of the level of description of thermal blobs can be very well approximated as the sum of the thermodynamic entropy of each single molecule considered as isolated thermodynamic systems. The entropy of a single molecule depends on the intrinsic energy, involving only contributions from the atoms that make the molecule and not from the interactions with atoms of other molecules.
Atomic force microscope based on vertical silicon probes
Authors: Walter Benjamin , Mairiaux Estelle , Faucher Marc
Published: June 2017

A family of silicon micro-sensors for Atomic Force Microscope (AFM) is presented that allows to operate with integrated transducers from medium to high frequencies together with moderate stiffness constants. The sensors are based on Micro-Electro-Mechanical-Systems technology. The vertical design specifically enables a long tip to oscillate perpendicularly to the surface to be imaged. The tip is part of a resonator including quasi-flexural composite beams, and symmetrical transducers that can be used as piezoresistive detector and/or electro-thermal actuator. Two vertical probes (Vprobes) were operated up to 4.3 MHz with stiffness constants 150 N/m to 500 N/m and the capability to oscillate from 10 pm to 90 nm. AFM images of several samples both in amplitude modulation (tapping-mode) and in frequency modulation were obtained.
Current-voltage characteristics of C70 solid near Meyer-Neldel temperature
Authors: Onishi Koichi , Sezaimaru Kouki , Nakashima Fumihiro , Sun Yong , Kirimoto Kenta , Sakaino Masamichi , Kanemitsu Shigeru
Published: June 2017

The current-voltage characteristics of the C70 solid with hexagonal closed-packed structures were measured in the temperature range of 250–450 K. The current-voltage characteristics can be described as a temporary expedient by a cubic polynomial of the voltage, i=av3+bv2+cv+d. Moreover, the Meyer-Neldel temperature of the C70 solid was confirmed to be 310 K, at which a linear relationship between the current and voltage was observed. Also, at temperatures below the Meyer-Neldel temperature, the current increases with increasing voltage. On the other hand, at temperatures above the Meyer-Neldel temperature a negative differential conductivity effect was observed at high voltage side. The negative differential conductivity was related to the electric field and temperature effects on the mobility of charge carrier, which involve two variations in the carrier concentration and the activation energy for carrier hopping transport.
Enhancement of L21 order and spin-polarization in Co2FeSi thin film by substitution of Fe with Ti
Authors: Chen Jiamin , Sakuraba Y. , Masuda K. , Miura Y. , Li S. , Kasai S. , Furubayashi T. , Hono K.
Published: June 2017

We investigated the effect of Ti substitution for Fe in Co2FeSi Heusler alloy (Co2Fe1-xTixSi) on their electronic structure, chemical ordering, and spin-dependent transport properties. First-principles calculations of the density of states (DOS) indicated that the peak just above the Fermi level in the minority-spin DOS (the conduction band edge of half-metallic gap) shifts towards higher energies with increasing Ti, leading to the enhancement in the half-metallic gap and the spin-polarization. We found in epitaxial Co2(Fe1-xTix)Si thin films that the required annealing temperature for long range L21-ordering can be substantially reduced from 650 °C for Co2FeSi to 400 °C for x ≥ 0.2. The enhancement of spin-polarization by the substitution of Fe with Ti was experimentally confirmed from anisotropic magnetoresistance measurements and spin-accumulation signals in non-local spin valve devices with the Co2Fe1-xTixSi films.
Phase-field simulation of counter-current spontaneous imbibition in a fractured heterogeneous porous medium
Authors: Rokhforouz M. R. , Akhlaghi Amiri H. A.
Published: June 2017

Spontaneous imbibition is well-known to be one of the most effective processes of oil recovery in fractured reservoirs. However, the detailed pore-scale mechanisms of the counter-current imbibition process and the effects of different fluid/rock parameters on this phenomenon have not yet been deeply addressed. This work presents the results of a new pore-level numerical study of counter-current spontaneous imbibition, using coupled Cahn–Hilliard phase field and Navier–Stokes equations, solved by a finite element method. A 2D fractured medium was constructed consisting of a nonhomogeneous porous matrix, in which the grains were represented by an equilateral triangular array of circles with different sizes and initially saturated with oil, and a fracture, adjacent to the matrix, initially saturated with water and supported by low rate water inflow. Through invasion of water into the matrix, oil drops were expelled one by one from the matrix to the fracture, and in the matrix, water progressed by forming capillary fingerings, with characteristics corresponding to the experimental observations. The effects of wettability, viscosity ratio, and interfacial tension were investigated. In strongly water-wet matrix, with grain contact angles of θ < π/8, different micro-scale mechanisms were successfully captured, including oil film thinning and rupture, fluids’ contact line movement, water bridging, and oil drop detachment. It was notified that there was a specific grain contact angle for this simulated model, θ = π/4, above it, matrix oil recovery was negligible by imbibition, while below it, the imbibition rate and oil recovery were significantly increased by decreasing the contact angle. In simulated mixed wet models, water, coming from the fracture, just invaded the neighboring water-wet grains; the water front was stopped moving as it met the oil-wet grains or wide pores/throats. Increasing water-oil interfacial tension, in the range of 0.005-0.05 N/m, resulted in both higher rate of imbibition and higher ultimate oil recovery. Changing the water-oil viscosity ratio (M), in the range of 0.1–10, had a negligible effect on the imbibition rate, while due to co-effects of capillary fingering and viscous mobility ratio, the model with M = 1 had relatively higher ultimate oil recovery.
Neutral-neutral and neutral-ion collision integrals for Y2O3-Ar plasma system
Authors: Dhamale Gayatri D. , Nath Swastik , Mathe Vikas L. , Ghorui Srikumar
Published: June 2017

A detailed investigation on the neutral-neutral and neutral-ion collision integrals is reported for Y2O3-Ar plasma, an important system of functional material with unique properties having a wide range of processing applications. The calculated integrals are indispensible pre-requisite for the estimation of transport properties needed in CFD modelling of associated plasma processes. Polarizability plays an important role in determining the integral values. Ambiguity in selecting appropriate polarizability data available in the literature and calculating effective number of electrons in the ionized species contributing to the polarizability are addressed. The integrals are evaluated using Lennard-Jones like phenomenological potential up to (l,s) = (4,4). Used interaction potential is suitable for both neutral-neutral and neutral-ion interactions. For atom-parent ion interactions, contribution coming from the inelastic resonant charge transfer process has been accounted properly together with that coming from the elastic counterpart. A total of 14 interacting species and 60 different interactions are considered. Key contributing factors like basic electronic properties of the interacting species and associated polarizability values are accounted carefully. Adopted methodology is first benchmarked against data reported in the literature and then applied to the Y2O3-Ar plasma system for estimating the collision integrals. Results are presented in the temperature range of 100 K–100 000 K.
Nonlinear evolution of 3D whistler waves in space plasmas
Authors: Pathak Neha , Yadav Nitin , Sharma R. P.
Published: June 2017

The present model is proposed to study the nonlinear effects related to quasi-transverse 3D whistler waves in three different regions of space plasmas which are Earth's radiation belt, magnetopause, and solar wind plasma at 1 A.U. We have analysed the effect of considering the third dimension in the dynamics of whistler waves on Localization of whistler waves and associated magnetic field power spectra. Three dimensionally propagating oblique whistler waves get localized due to background density perturbation. This background density modulation is supposed to be originating due to the propagation of low frequency kinetic Alfven waves in the background. The ponderomotive nonlinearity originating due to high amplitude whistler waves has been taken into account to develop the model equations. Next, these coupled model equations have been solved numerically using the pseudo-spectral method. Simulation results are investigated to study the process of field localization and magnetic field power spectrum. The resulting magnetic field power spectrum is discussed in detail in view of their observation in all the three above mentioned regions of space plasmas.
Modelling enhanced confinement in drift-wave turbulence
Authors: Hajjar R. J. , Diamond P. H. , Ashourvan A. , Tynan G. R.
Published: June 2017

The results of modeling studies of an enhanced confinement in the drift wave turbulent plasma of the CSDX linear device are presented. The mechanism of enhanced confinement is investigated here using a reduced 1D, time-dependent model, which illustrates the exchange of enstrophy between two disparate scale structures: the mesoscale flow and profile, and the turbulence intensity fields. Mean density, mean vorticity, and turbulent potential enstrophy are the variables for this model. Total potential enstrophy is conserved in this model. Vorticity mixing occurs on a scale length related to an effective Rhines' scale of turbulence, and shrinks as both density and vorticity gradients steepen. Numerical results obtained from solution of the model agree well with the experimental data from CSDX showing: (i) a steepening of the mean density profile, indicating a radial transport barrier formation, (ii) the development of a radially sheared azimuthal flow velocity that coincides with the density steepening and initiates a turbulence quench, and (iii) negative Reynolds work values, indicating that fluctuations drive the shear flow. These observations as the magnitude of the magnetic field B increases are recovered using purely diffusive expressions for the vorticity and density fluxes. A new dimensionless turbulence parameter RDT-defined as the ratio of the integrated potential enstrophy transfer from turbulence to the flow, to the integrated potential enstrophy production due to relaxation of the density gradient is introduced as a turbulence collapse indicator that detects when the enhanced confinement state is triggered.
Bias-stress characterization of solution-processed organic field-effect transistor based on highly ordered liquid crystals
Authors: Kunii M. , Iino H. , Hanna J.
Published: June 2017

Bias-stress effects in solution-processed, 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-10) field effect transistors (FETs) are studied under negative and positive direct current bias. The bottom gate, bottom contact polycrystalline Ph-BTBT-10 FET with a hybrid gate dielectric of polystyrene and SiO2 shows high field effect mobility as well as a steep subthreshold slope when fabricated with a highly ordered smectic E liquid crystalline (SmE) film as a precursor. Negative gate bias-stress causes negative threshold voltage shift (ΔVth) for Ph-BTBT-10 FET in ambient air, but ΔVth rapidly decreases as the gate bias decreases and approaches to near zero when the gate bias goes down to 9 V in amplitude. In contrast, positive gate bias-stress causes negligible ΔVth even with a relatively high bias voltage. These results conclude that Ph-BTBT-10 FET has excellent bias-stress stability in ambient air in the range of low to moderate operating voltages.