bluuebunny/crossref_metadata_2025 huggingface dataset:
Tip-vortex instability and turbulent mixing in wind-turbine wakes
Authors: Lignarolo L. E. M. , Ragni D. , Scarano F. , Simão Ferreira C. J. , van Bussel G. J. W.
Published: September 2015

Kinetic-energy transport and turbulence production within the shear layer of a horizontal-axis wind-turbine wake are investigated with respect to their influence on the tip-vortex pairwise instability, the so-called leapfrogging instability. The study quantifies the effect of near-wake instability and tip-vortex breakdown on the process of mean-flow kinetic-energy transport within the far wake of the wind turbine, in turn affecting the wake re-energising process. Experiments are conducted in an open-jet wind tunnel with a wind-turbine model of 60 cm diameter at a diameter-based Reynolds number range$\mathit{Re}_{D}=150\,000{-}230\,000$. The velocity fields in meridian planes encompassing a large portion of the wake past the rotor are measured both in the unconditioned and the phase-locked mode by means of stereoscopic particle image velocimetry. The detailed topology and development of the tip-vortex interactions are discussed prior to a statistical analysis based on the triple decomposition of the turbulent flow fields. The study emphasises the role of the pairing instability as a precursor to the onset of three-dimensional vortex distortion and breakdown, leading to increased turbulent mixing and kinetic-energy transport across the shear layer. Quadrant analysis further elucidates the role of sweep and ejection events within the two identified mixing regimes. Prior to the onset of the instability, vortices shed from the blade appear to inhibit turbulent mixing of the expanding wake. The second region is dominated by the leapfrogging instability, with a sudden increase of the net entrainment of kinetic energy. Downstream of the latter, random turbulent motion characterises the flow, with a significant increase of turbulent kinetic-energy production. In this scenario, the leapfrogging mechanism is recognised as the triggering event that accelerates the onset of efficient turbulent mixing followed by the beginning of the wake re-energising process.
Working memory, executive function and impulsivity in Internet-addictive disorders: a comparison with pathological gambling
Authors: Zhou Zhenhe , Zhou Hongliang , Zhu Hongmei
Published: September 2015

Objective

The purpose of the present study was to test whether individuals with Internet addiction disorder (IAD) presented analogous characteristics of working memory, executive function and impulsivity compared with pathological gambling (PG) patients.

Methods

The subjects included 23 individuals with IAD, 23 PG patients and 23 controls. All of the participants were measured with the digit span task, Wisconsin Card Sorting Test, go/no-go task and Barratt Impulsiveness Scale-11 (BIS-11) under the same experimental conditions.

Results

The results of this study showed that the false alarm rate, total response errors, perseverative errors, failure to maintain set and BIS-11 scores of both the IAD and PG groups were significantly higher than that of the control group. In addition, the forward scores and backwards scores, percentage of conceptual level responses, number of categories completed and hit rate of the IAD and PG groups were significantly lower than that of the control group. Furthermore, the false alarm rate and BIS-11 scores of the IAD group were significantly higher than those of PG patients, and the hit rate was significantly lower than that of the PG patients.

Conclusions

Individuals with IAD and PG patients present deficiencies in working memory, executive dysfunction and impulsivity, and individuals with IAD are more impulsive than PG patients.
Underwater Doppler Navigation with Self-calibration
Authors: Pan Xianfei , Wu Yuanxin
Published: September 2015

Precise autonomous navigation remains a substantial challenge to all underwater platforms. Inertial Measurement Units (IMU) and Doppler Velocity Logs (DVL) have complementary characteristics and are promising sensors that could enable fully autonomous underwater navigation in unexplored areas without relying on additional external Global Positioning System (GPS) or acoustic beacons. This paper addresses the combined IMU/DVL navigation system from the viewpoint of observability. We show by analysis that under moderate conditions the combined system is observable. Specifically, the DVL parameters, including the scale factor and misalignment angles, can be calibrated in-situ without using external GPS or acoustic beacon sensors. Simulation results using a practical estimator validate the analytic conclusions.
Zum aktuellen Stand der Diskussion um die «personalisierte» Psychiatrie und Psychotherapie
Authors: Böker Heinz , Seifritz Erich
Published: September 2015

Zusammenfassung. Im Zentrum der Debatte steht der Begriff «personalisierte» Psychiatrie und Psychotherapie und dessen unscharfe und heterogene Verwendung. Der dem Konzept inhärente Anspruch, die diagnostischen, therapeutischen und prognostischen Parameter zu verfeinern, stellt eine wesentliche Herausforderung einer zukünftigen «personzentrierten» Psychiatrie dar.
Gefühlsausdruck und Selbstverletzungen: Moderiert Weinen den Zusammenhang zwischen Traurigkeit und selbstverletzendem Verhalten?
Authors: Nitkowski Dennis , Hristova Stella , Wünsch-Leiteritz Wally , Braks Karsten , Petermann Franz
Published: September 2015

Zusammenfassung. Betroffene mit (nichtsuizidalem) selbstverletzendem Verhalten neigen dazu, Gefühle im Ausdruck zu unterdrücken. Wird das Weinen gehemmt, werden kommunikative und regulatorische Funktionen unterbunden. Selbstverletzendes Verhalten weist ähnliche Funktionen wie Weinen auf. Es lässt sich vermuten, dass Menschen mit selbstverletzendem Verhalten Selbstverletzungen einsetzen, um die Aufgaben des Weinens zu übernehmen, wenn dieses unterdrückt wird. Ziel dieser Studie ist es, zu prüfen, ob der Zusammenhang zwischen Traurigkeit sowie Selbsthass auf der einen Seite und der funktionale Einsatz von Selbstverletzungen auf der anderen Seite durch Weinen moderiert werden. Um die Fragestellung zu prüfen, wurden 116 Mädchen und junge Frauen mit Essstörungen im Alter von 14 bis 29 Jahren befragt. Anhand von Fragebögen wurden borderline-spezifische Gedanken und Gefühle, die Essstörungs- sowie die depressive Symptomatik und die Funktionen von selbstverletzendem Verhalten erhoben. Items zu «Weinen», «Traurigkeit» und «Selbsthass» wurden aus den Fragebögen herausgelöst. In den Ergebnissen stellte sich das Weinen nicht als Moderator heraus. Jedoch förderten Weinen und Traurigkeit, unabhängig voneinander, die Anwendung von selbstverletzendem Verhalten zur psychischen Regulation. Die Essstörungssymptomatik hatte die größte Bedeutung für die psychischen Funktionen des selbstverletzenden Verhaltens. Berichteter Selbsthass hing mit geringerem Einsatz zur sozialen Funktion zusammen. Das Empfinden und der Ausdruck von traurigen Gefühlen durch Weinen scheinen den funktionalen Einsatz von Selbstverletzungen zur psychischen Funktion zu fördern, während das Spüren von Selbsthass eher mindernd auf selbstverletzendes Verhalten zu wirken scheint. Die Ergebnisse lassen vermuten, dass selbstverletzendes Verhalten das Weinen in seiner selbstregulatorischen Funktion eher unterstützt als kompensiert.
DIDS (4,4'-Diisothiocyanatostilbene-2,2'-disulfonate) directly inhibits caspase activity in HeLa cell lysates
Authors: Benítez-Rangel E , López-Méndez MC , García L , Guerrero-Hernández A
Published: September 2015

Apoptosis is an important mechanism of cell demise in multicellular organisms and Cl− transport has an important role in the progression of the apoptotic volume decrease (AVD). DIDS (4,4'-Diisothiocyanatostilbene-2,2'-disulfonate) is one of the most commonly used Cl− transport inhibitors that eliminates or reduces different apoptotic hallmarks such as AVD, caspase-3 activity and DNA fragmentation. DIDS is also a protein crosslinker that alkylates either amino or thiol groups. Since caspases are thiol proteases, our aim was to study whether DIDS could directly inhibit the activity of these proteases. Here, we show that caspase activity induced by 4 h incubation with staurosporine was inhibited by DIDS in HeLa cells that were maintained in the absence of serum for 24 h. Interestingly, the caspase-inhibitory effect of DIDS is downstream to the inhibition of cytochrome c release, suggesting that DIDS might be also acting at the apoptosome. Moreover, DIDS was able to inhibit capase-3, -9, and -8 activities in cell lysates, implying that DIDS can react with and directly block caspases. Our data suggest that antiapoptotic activity of DIDS involves not only inhibition of the voltage-dependent anion channel (VDAC) at the mitochondria and Cl− channels at the plasma membrane, but also a third mechanism based on the direct inhibition of caspases.
Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice
Authors: Deprez-Poulain Rebecca , Hennuyer Nathalie , Bosc Damien , Liang Wenguang G. , Enée Emmanuelle , Marechal Xavier , Charton Julie , Totobenazara Jane , Berte Gonzague , Jahklal Jouda , Verdelet Tristan , Dumont Julie , Dassonneville Sandrine , Woitrain Eloise , Gauriot Marion , Paquet Charlotte , Duplan Isabelle , Hermant Paul , Cantrelle François- Xavier , Sevin Emmanuel , Culot Maxime , Landry Valerie , Herledan Adrien , Piveteau Catherine , Lippens Guy , Leroux Florence , Tang Wei-Jen , van Endert Peter , Staels Bart , Deprez Benoit
Published: September 2015

Insulin-degrading enzyme (IDE) is a protease that cleaves insulin and other bioactive peptides such as amyloid-β. Knockout and genetic studies have linked IDE to Alzheimer’s disease and type-2 diabetes. As the major insulin-degrading protease, IDE is a candidate drug target in diabetes. Here we have used kinetic target-guided synthesis to design the first catalytic site inhibitor of IDE suitable for in vivo studies (BDM44768). Crystallographic and small angle X-ray scattering analyses show that it locks IDE in a closed conformation. Among a panel of metalloproteases, BDM44768 selectively inhibits IDE. Acute treatment of mice with BDM44768 increases insulin signalling and surprisingly impairs glucose tolerance in an IDE-dependent manner. These results confirm that IDE is involved in pathways that modulate short-term glucose homeostasis, but casts doubt on the general usefulness of the inhibition of IDE catalytic activity to treat diabetes.
SETD1A modulates cell cycle progression through a miRNA network that regulates p53 target genes
Authors: Tajima Ken , Yae Toshifumi , Javaid Sarah , Tam Oliver , Comaills Valentine , Morris Robert , Wittner Ben S. , Liu Mingzhu , Engstrom Amanda , Takahashi Fumiyuki , Black Joshua C. , Ramaswamy Sridhar , Shioda Toshihiro , Hammell Molly , Haber Daniel A. , Whetstine Johnathan R. , Maheswaran Shyamala
Published: September 2015

Expression of the p53-inducible antiproliferative gene BTG2 is suppressed in many cancers in the absence of inactivating gene mutations, suggesting alternative mechanisms of silencing. Using a shRNA screen targeting 43 histone lysine methyltransferases (KMTs), we show that SETD1A suppresses BTG2 expression through its induction of several BTG2-targeting miRNAs. This indirect but highly specific mechanism, by which a chromatin regulator that mediates transcriptional activating marks can lead to the downregulation of a critical effector gene, is shared with multiple genes in the p53 pathway. Through such miRNA-dependent effects, SETD1A regulates cell cycle progression in vitro and modulates tumorigenesis in mouse xenograft models. Together, these observations help explain the remarkably specific genetic consequences associated with alterations in generic chromatin modulators in cancer.
Multiply periodic states and isolated skyrmions in an anisotropic frustrated magnet
Authors: Leonov A. O. , Mostovoy M.
Published: September 2015

Multiply periodic states appear in a wide variety of physical contexts, such as the Rayleigh–Bénard convection, Faraday waves, liquid crystals and skyrmion crystals recently observed in chiral magnets. Here we study the phase diagram of an anisotropic frustrated magnet which contains five different multiply periodic states including the skyrmion crystal. We clarify the mechanism for stabilization of these states and discuss how they can be observed in magnetic resonance and electric polarization measurements. We also find stable isolated skyrmions with topological charge 1 and 2. Their spin structure, interactions and dynamics are more complex than those in chiral magnets. In particular, magnetic resonance in the skyrmion crystal should be accompanied by oscillations of the electric polarization with a frequency depending on the amplitude of the a.c. magnetic field. These results show that skyrmion materials with rich physical properties can be found among frustrated magnets. We formulate rules to help the search.
Direct view on the phase evolution in individual LiFePO4 nanoparticles during Li-ion battery cycling
Authors: Zhang Xiaoyu , van Hulzen Martijn , Singh Deepak P. , Brownrigg Alex , Wright Jonathan P. , van Dijk Niels H. , Wagemaker Marnix
Published: September 2015

Phase transitions in Li-ion electrode materials during (dis)charge are decisive for battery performance, limiting high-rate capabilities and playing a crucial role in the cycle life of Li-ion batteries. However, the difficulty to probe the phase nucleation and growth in individual grains is hindering fundamental understanding and progress. Here we use synchrotron microbeam diffraction to disclose the cycling rate-dependent phase transition mechanism within individual particles of LiFePO4, a key Li-ion electrode material. At low (dis)charge rates well-defined nanometer thin plate-shaped domains co-exist and transform much slower and concurrent as compared with the commonly assumed mosaic transformation mechanism. As the (dis)charge rate increases phase boundaries become diffuse speeding up the transformation rates of individual grains. Direct observation of the transformation of individual grains reveals that local current densities significantly differ from what has previously been assumed, giving new insights in the working of Li-ion battery electrodes and their potential improvements.
Functional biomarkers for chronic periodontitis and insights into the roles of Prevotella nigrescens and Fusobacterium nucleatum; a metatranscriptome analysis
Authors: Szafrański Szymon P , Deng Zhi-Luo , Tomasch Jürgen , Jarek Michael , Bhuju Sabin , Meisinger Christa , Kühnisch Jan , Sztajer Helena , Wagner-Döbler Irene
Published: September 2015

Background/Objectives:

Periodontitis is the most prevalent inflammatory disease worldwide and is caused by a dysbiotic subgingival biofilm. Here we used metatranscriptomics to determine the functional shift from health to periodontitis, the response of individual species to dysbiosis and to discover biomarkers.

Methods:

Sixteen individuals were studied, from which six were diagnosed with chronic periodontitis. Illumina sequencing of the total messenger RNA (mRNA) yielded ~42 million reads per sample. A total of 324 human oral taxon phylotypes and 366,055 open reading frames from the HOMD database reference genomes were detected.

Results:

The transcriptionally active community shifted from Bacilli and Actinobacteria in health to Bacteroidia, Deltaproteobacteria, Spirochaetes and Synergistetes in periodontitis. Clusters of orthologous groups (COGs) related to carbohydrate transport and catabolism dominated in health, whereas protein degradation and amino acid catabolism dominated in disease. The LEfSe, random forest and support vector machine methods were applied to the 2,000 most highly expressed genes and discovered the three best functional biomarkers, namely haem binding protein HmuY from Porphyromonas gingivalis, flagellar filament core protein FlaB3 from Treponema denticola, and repeat protein of unknown function from Filifactor alocis. They predicted the diagnosis correctly for 14 from 16 individuals, and when applied to an independent study misclassified one out of six subjects only. Prevotella nigrescens shifted from commensalism to virulence by upregulating the expression of metalloproteases and the haem transporter. Expression of genes for the synthesis of the cytotoxic short-chain fatty acid butyrate was observed by Fusobacterium nucleatum under all conditions. Four additional species contributed to butyrate synthesis in periodontitis and they used an additional pathway.

Conclusion:

Gene biomarkers of periodontitis are highly predictive. The pro-inflammatory role of F. nucelatum is not related to butyrate synthesis.
Increased precision of orthotopic and metastatic breast cancer surgery guided by matrix metalloproteinase-activatable near-infrared fluorescence probes
Authors: Chi Chongwei , Zhang Qian , Mao Yamin , Kou Deqiang , Qiu Jingdan , Ye Jinzuo , Wang Jiandong , Wang Zhongliang , Du Yang , Tian Jie
Published: September 2015

Advanced medical imaging technology has allowed the use of fluorescence molecular imaging-guided breast cancer surgery (FMI-guided BCS) to specifically label tumour cells and to precisely distinguish tumour margins from normal tissues intra-operatively, a major challenge in the medical field. Here, we developed a surgical navigation system for real-time FMI-guided BCS. Tumours derived from highly metastatic 4T1-luc breast cancer cells, which exhibit high expression of matrix metalloproteinase (MMP) and human epidermal growth factor receptor 2 (HER2), were established in nude mice; these mice were injected with smart MMP-targeting and “always-on” HER2-targeting near-infrared (NIR) fluorescent probes. The fluorescence signal was imaged to assess in vivo binding of the probes to the tumour and metastatic sites. Then, orthotopic and metastatic breast tumours were precisely removed under the guidance of our system. The post-operative survival rate of mice was improved by 50% with the new method. Hematoxylin and eosin staining and immunohistochemical staining for MMP2 and CD11b further confirmed the precision of tumour dissection. Our method facilitated the accurate detection and complete removal of breast cancer tumours and provided a method for defining the molecular classification of breast cancer during surgery, thereby improving prognoses and survival rates.
The effects of inhibitory control training for preschoolers on reasoning ability and neural activity
Authors: Liu Qian , Zhu Xinyi , Ziegler Albert , Shi Jiannong
Published: September 2015

Inhibitory control (including response inhibition and interference control) develops rapidly during the preschool period and is important for early cognitive development. This study aimed to determine the training and transfer effects on response inhibition in young children. Children in the training group (N = 20; 12 boys, mean age 4.87 ± 0.26 years) played “Fruit Ninja” on a tablet computer for 15 min/day, 4 days/week, for 3 weeks. Children in the active control group (N = 20; 10 boys, mean age 4.88 ± 0.20 years) played a coloring game on a tablet computer for 10 min/day, 1–2 days/week, for 3 weeks. Several cognitive tasks (involving inhibitory control, working memory and fluid intelligence) were used to evaluate the transfer effects and electroencephalography (EEG) was performed during a go/no-go task. Progress on the trained game was significant, while performance on a reasoning task (Raven’s Progressive Matrices) revealed a trend-level improvement from pre- to post-test. EEG indicated that the N2 effect of the go/no-go task was enhanced after training for girls. This study is the first to show that pure response inhibition training can potentially improve reasoning ability. Furthermore, gender differences in the training-induced changes in neural activity were found in preschoolers.
Zinc inhibits the reproductive toxicity of Zearalenone in immortalized murine ovarian granular KK-1 cells
Authors: Li Yijia , He Xiaoyun , Yang Xuan , Huang Kunlun , Luo Yunbo , Zhu Liye , Li Yuzhe , Xu Wentao
Published: September 2015

Zearalenone (ZEA) mainly injures the reproductive system of mammals. In the present study, we aimed to explore the mechanism by which zinc inhibits ZEA-induced reproductive damage in KK-1 cells for the first time. The results shown that both zinc sulfate and zinc gluconate addition increased the intracellular zinc concentration and influenced the expression of zinc transporters (Slc30a1 and Slc39a1) in a time-dependent manner. Co-incubation of zinc with ZEA significantly reduced the ZEA-induced reactive oxygen species and malondialdehyde elevation by promoting the transcription of Mtf1 and Mt2. Meanwhile, two different zincs inhibited the ZEA-induced loss of mitochondrial membrane potential and elevation of late-stage apoptosis via activating the mitochondrial apoptotic pathway by recovering the mRNA and protein expression of pro-apoptotic genes (Bax, Casp3, Casp9). Zinc also recovered cells from S-phase cell cycle arrest. In addition, both of them promoted the ZEA-induced estrogen production but regulated the expression of steroidogenic enzymes (Star, Cyp11a1, Hsd3b1, Cyp17a1) in different way. All these results indicated that zinc could inhibit the reproductive toxicity of ZEA.
Identification and Characterization of a Novel Gentisate 1,2-Dioxygenase Gene from a Halophilic Martelella Strain
Authors: Huang Ling , Hu Haiyang , Tang Hongzhi , Liu Yongdi , Xu Ping , Shi Jie , Lin Kuangfei , Luo Qishi , Cui Changzheng
Published: September 2015

Halophilic Martelella strain AD-3, isolated from highly saline petroleum-contaminated soil, can efficiently degrade polycyclic aromatic hydrocarbons (PAHs), such as phenanthrene and anthracene, in 3–5% salinity. Gentisic acid is a key intermediate in the microbial degradation of PAH compounds. However, there is little information on PAH degradation by moderately halophilic bacteria. In this study, a 1,077-bp long gene encoding gentisate 1,2-dioxygenase (GDO) from a halophilic Martelella strain AD-3 was cloned, sequenced and expressed in Escherichia coli. The recombinant enzyme GDO was purified and characterized in detail. By using the 18O isotope experiment and LC-MS analysis, the sources of the two oxygen atoms added onto maleylpyruvate were identified as H2O and O2, respectively. The Km and kcat values for gentisic acid were determined to be 26.64 μM and 161.29 s−1, respectively. In addition, optimal GDO activity was observed at 30 °C, pH 7.0 and at 12% salinity. Site-directed mutagenesis demonstrated the importance of four highly conserved His residues at positions 155, 157, 167 and 169 for enzyme activity. This finding provides new insights into mechanism and variety of gentisate 1,2-dioxygenase for PAH degradation in high saline conditions.
Nanoparticles modulate autophagic effect in a dispersity-dependent manner
Authors: Huang Dengtong , Zhou Hualu , Gao Jinhao
Published: September 2015

Autophagy plays a key role in human health and disease, especially in cancer and neurodegeneration. Many autophagy regulators are developed for therapy. Diverse nanomaterials have been reported to induce autophagy. However, the underlying mechanisms and universal rules remain unclear. Here, for the first time, we show a reliable and general mechanism by which nanoparticles induce autophagy and then successfully modulate autophagy via tuning their dispersity. Various well-designed univariate experiments demonstrate that nanomaterials induce autophagy in a dispersity-dependent manner. Aggregated nanoparticles induce significant autophagic effect in comparison with well-dispersed nanoparticles. As the highly stable nanoparticles may block autophagic degradation in autolysosomes, endocytosis and intracellular accumulation of nanoparticles can be responsible for this interesting phenomenon. Our results suggest dispersity-dependent autophagic effect as a common cellular response to nanoparticles, reveal the relationship between properties of nanoparticles and autophagy and offer a new alternative way to modulate autophagy.
A Molecular Toolkit to Visualize Native Protein Assemblies in the Context of Human Disease
Authors: Gilmore Brian L. , Winton Carly E. , Demmert Andrew C. , Tanner Justin R. , Bowman Sam , Karageorge Vasilea , Patel Kaya , Sheng Zhi , Kelly Deborah F.
Published: September 2015

We present a new molecular toolkit to investigate protein assemblies natively formed in the context of human disease. The system employs tunable microchips that can be decorated with switchable adaptor molecules to select for target proteins of interest and analyze them using molecular microscopy. Implementing our new streamlined microchip approach, we could directly visualize BRCA1 gene regulatory complexes from patient-derived cancer cells for the first time.
Smartphone-based point-of-care testing of salivary α-amylase for personal psychological measurement
Authors: Zhang Lin , Yang Wentao , Yang Yuankui , Liu Hong , Gu Zhongze
Published: September 2015

Here we report a smartphone-based potentiometric biosensor for point-of-care testing of salivary α-amylase (sAA), which is one of the most sensitive indices of autonomic nervous system activity, and therefore a promising non-invasive biomarker for mental health.
Gold nanodome-patterned microchips for intracellular surface-enhanced Raman spectroscopy
Authors: Wuytens Pieter C. , Subramanian Ananth Z. , De Vos Winnok H. , Skirtach Andre G. , Baets Roel
Published: September 2015

Top-down patterned gold nanodome microchips are taken up by living cells and serve as a uniform and reproducible sensor for intracellular surface-enhanced Raman scattering.
Facile fabrication of cross-linked vesicle via “surface clicking” of calixarene-based supra-amphiphiles
Authors: Peng Shu , Gao Jie , Liu Yu , Guo Dong-Sheng
Published: September 2015

A cross-linked binary vesicle was constructed by calixarene-induced aggregation followed by a “click” reaction, showing improved performance over a dynamic vesicle.
Palladium-catalyzed dearomative cyclization by a norbornene-mediated sequence: a route to spiroindolenine derivatives
Authors: Wu Xin-Xing , Shen Yi , Chen Wen-Long , Chen Si , Xu Peng-Fei , Liang Yong-Min
Published: September 2015

Spiroindolenine derivatives bearing an all-carbon quaternary spirocenter are synthesizedviaa Pd-catalyzed norbornene-mediated tandemortho-alkylation dearomative cyclization reaction.
Correction: Moulding calixarenes for biomacromolecule targeting
Authors: Giuliani Marta , Morbioli Ilaria , Sansone Francesco , Casnati Alessandro
Published: September 2015

Correction for ‘Moulding calixarenes for biomacromolecule targeting’ by Marta Giuliani et al., Chem. Commun., 2015, 51, 14140–14159.
Intermolecular interaction energies in transition metal coordination compounds
Authors: Maloney Andrew G. P. , Wood Peter A. , Parsons Simon
Published: September 2015

The PIXEL method has been parameterised and validated for transition metals, extending its applicability from ~40% to ~85% of all published crystal structures.
Photoluminescence properties and energy transfer of color tunable MgZn2(PO4)2:Ce3+,Tb3+ phosphors
Authors: Xu Mengjiao , Wang Luxiang , Jia Dianzeng , Zhao Hongyang
Published: September 2015

Tunable blue to green novel MgZn2(PO4)2:Ce3+,Tb3+ phosphors have been synthesized and investigated in detail.
The role of size polydispersity in magnetic fluid hyperthermia: average vs. local infra/over-heating effects
Authors: Munoz-Menendez Cristina , Conde-Leboran Ivan , Baldomir Daniel , Chubykalo-Fesenko Oksana , Serantes David
Published: September 2015

Heating and hyperthermia efficiency, though closely related, are not equivalent concepts: two different systems may have the same global heating performance but a completely different local heat release distribution, resulting therefore in different overall hyperthermia efficiency.
Zeolite Y-assisted nitration of aromatic and heterocyclic compounds and decarboxylative nitration of α,β-unsaturated acids under non-conventional conditions
Authors: Sudhakar Chary V. , Rajanna K. C. , Krishnaiah G. , Srinivas P.
Published: September 2015

The approach outlined in this paper is particularly appropriate for the conversion of unsaturated cinnamic acids into nitrostyrenes.
Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors
Authors: Casula Arianna , Nairi Valentina , Fernández-Moreira Vanesa , Laguna Antonio , Lippolis Vito , Garau Alessandra , Gimeno M. Concepción
Published: September 2015

Luminescent Re(i), Re(i)/Au(i) and Re(i)/Ag(i) derivatives functionalised with thioether crowns containing the 1,10-phenantholine are reported.
Hydrothermal conversion of carbon dioxide into formate with the aid of zerovalent iron: the potential of a two-step approach
Authors: Michiels K. , Peeraer B. , Van Dun W. , Spooren J. , Meynen V.
Published: September 2015

Our research focuses on the hydrothermal conversion of carbon dioxide into formate with the aid of zerovalent iron. Conventionally, a one-step approach is applied wherein both (i) the production of hydrogen gas, through the oxidation of zerovalent iron in an aqueous medium and (ii) the conversion of carbon dioxide with this hydrogen gas into formate/formic acid, are performed under the same reaction conditions at a temperature of approximately 300 °C. Until now, the yields of formate/formic acid mentioned in the literature are, in the absence of a catalytic substance, low (13.5%). Recently, we developed a hydrothermal hydrogen gas production method based on the oxidation of zerovalent iron and performed under mild conditions (temperature of 160 °C). This synthesis method produces hydrogen gas with a high purity (>99 mol%) and a significant yield (approximately 80 mol%). These experimental results suggested that the optimal hydrothermal reaction conditions for the production of hydrogen gas and the conversion of carbon dioxide, are strongly different in case of applying zerovalent iron as the reducing agent. Therefore, this paper studies the potential of a two-step approach to enhance the carbon conversion yields. The first step is the production of hydrogen gasviathe developed method at 160 °C. The second step is the conversion of carbon dioxide at higher temperatures (250–350 °C). This study reveals that the solubility of hydrogen gas into the aqueous solution is a key parameter in order to achieve a high amount of carbon conversion. Therefore, a high temperature, the degree of filling and the initial hydrogen gas amount are necessary to successfully perform the carbon dioxide conversion step with high carbon conversion yields. Applying these insights have led to the experimental observation thatviaa two-step approach the conversion of potassium hydrogen carbonate into potassium formate can be successfully performed with higher carbon conversion yields, up to 77.9 wt%, and a selectivity of at least 81% when applying a reaction temperature of 280 °C for 24 hours, a degree of filling with water of 50 vol% and an initial amount of hydrogen gas of 100 mmol.
A ROS-mediated lysosomal–mitochondrial pathway is induced by ginsenoside Rh2 in hepatoma HepG2 cells
Authors: Chen Fang , Deng ZeYuan , Xiong ZengXing , Zhang Bing , Yang JianYuan , Hu JiangNing
Published: September 2015

ROS/lysosomal/mitochondrial pathway was involved in the apoptotic response induced by GRh2 in hepatoma HepG2 cells.
Lamellar-structured biomass-derived phosphorus- and nitrogen-co-doped porous carbon for high-performance supercapacitors
Authors: Wang Jie , Shen Laifa , Xu Yunling , Dou Hui , Zhang Xiaogang
Published: September 2015

Carbon derived from fish scale, prepared through chemical activation, exhibits excellent supercapacitive performance in aqueous and ionic liquid electrolytes.
Iron-promoted C–C bond formation in the total synthesis of natural products and drugs
Authors: Legros Julien , Figadère Bruno
Published: September 2015

Iron complexes can be used in catalytic or stoichiometric quantities to form C–C bonds for building the backbone of complex molecules. A review of their use in the total synthesis of natural products or pharmacologically important compounds is presented.
Highly sensitive detection of DNA methylation levels by using a quantum dot-based FRET method
Authors: Ma Yunfei , Zhang Honglian , Liu Fangming , Wu Zhenhua , Lu Shaohua , Jin Qinghui , Zhao Jianlong , Zhong Xinhua , Mao Hongju
Published: September 2015

A quantum dot-based FRET method was established for a highly sensitive detection of DNA methylation levels.
Fabrication of air-stable n-type carbon nanotube thin-film transistors on flexible substrates using bilayer dielectrics
Authors: Li Guanhong , Li Qunqing , Jin Yuanhao , Zhao Yudan , Xiao Xiaoyang , Jiang Kaili , Wang Jiaping , Fan Shoushan
Published: September 2015

A bilayer dielectric structure of MgO and ALD Al2O3 or HfO2 was used for making n-type SWCNT-TFTs at a low temperature of 120 °C.
A ZnO nanowire/PANIPAM hybrid energy converter driven by temperature oscillation
Authors: Zhang Quanhua , Wang Ding , Xu Ying , Wang Pengpeng , Wang Xianying
Published: September 2015

A nano energy converter consisting of vertically aligned piezoelectric ZnO nanowires and a temperature-responsive polymer, which can generate electric power while it is cooled down.
Titanium aminophosphates: synthesis, characterization, antimicrobial and cytotoxicity studies
Authors: Rajini Anumula , Adepu Ajay Kumar , Chirra Suman , Venkatathri Narayanan
Published: September 2015

Titanium aminophosphates were synthesized, characterized in detail and their antimicrobial and cytotoxicity properties were studied.
A solar assisted microbial electrolysis cell for hydrogen production driven by a microbial fuel cell
Authors: Wan Li-Li , Li Xiao-Jing , Zang Guo-Long , Wang Xin , Zhang Yue-Yong , Zhou Qi-Xing
Published: September 2015

Solar energy, a microbial electrolysis cell (MEC) and a microbial fuel cell were combined as a new MEC system for hydrogen production.
Frequency reconfigurable patch antenna array
Authors: Byford J.A. , Park K.Y. , Chahal P. , Rothwell E.J.
Published: September 2015

A frequency reconfigurable antenna array is introduced. The array consists of planar radiating elements that may be interconnected through computer‐controlled switches to form larger elements radiating at frequencies lower than the resonant frequency of the individual elements. Simulations using a 2 × 2 array of patch antennas connected using either hard shorts or RF shorts are used to establish the viability of the concept. The simulated arrays were fabricated, the measured properties of the arrays being in good agreement with predicted results. Both of the shorting methods resulted in reduction of the resonance frequency to half that of an individual element, while the radiation pattern of the individual element was maintained.
Toroidal ion-temperature-gradient driven vortices in an inhomogeneous magnetoplasma with non-Maxwellian electrons
Authors: Mirza Arshad M. , Masood W. , Iqbal Javed , Batool Nazia
Published: September 2015

Nonlinear equations which govern the dynamics of low-frequency toroidal ion-temperature-gradient driven modes (i.e., ω≪ωci, where ωci is the ion gyro-frequency) are derived in the presence of equilibrium density, temperature, and magnetic field gradients. In the nonlinear case, solutions in the form of dipolar vortices and vortex street are presented for a plasma comprising of Maxwellian ions and nonthermal electrons that are embedded in an external magnetic field. By using Braginskii's transport equations for the Maxwellian ions and Kappa distributed electrons, the coupled mode equations for the system under consideration are derived. The results have been applied in Tokamak plasmas, and it has been observed that the scale lengths over which the nonlinear vortex structures form get modified in the presence of Kappa distributed electrons. The present study is also applicable to tokamaks and stellarators where non-Maxwellian population has been observed in resonant frequency heating, electron cyclotron heating experiments, and in runaway electrons.
Asymmetric kinetic equilibria: Generalization of the BAS model for rotating magnetic profile and non-zero electric field
Authors: Dorville Nicolas , Belmont Gérard , Aunai Nicolas , Dargent Jérémy , Rezeau Laurence
Published: September 2015

Finding kinetic equilibria for non-collisional/collisionless tangential current layers is a key issue as well for their theoretical modeling as for our understanding of the processes that disturb them, such as tearing or Kelvin Helmholtz instabilities. The famous Harris equilibrium [E. Harris, Il Nuovo Cimento Ser. 10 23, 115–121 (1962)] assumes drifting Maxwellian distributions for ions and electrons, with constant temperatures and flow velocities; these assumptions lead to symmetric layers surrounded by vacuum. This strongly particular kind of layer is not suited for the general case: asymmetric boundaries between two media with different plasmas and different magnetic fields. The standard method for constructing more general kinetic equilibria consists in using Jeans theorem, which says that any function depending only on the Hamiltonian constants of motion is a solution to the steady Vlasov equation [P. J. Channell, Phys. Fluids (1958–1988) 19, 1541 (1976); M. Roth et al., Space Sci. Rev. 76, 251–317 (1996); and F. Mottez, Phys. Plasmas 10, 1541–1545 (2003)]. The inverse implication is however not true: when using the motion invariants as variables instead of the velocity components, the general stationary particle distributions keep on depending explicitly of the position, in addition to the implicit dependence introduced by these invariants. The standard approach therefore strongly restricts the class of solutions to the problem and probably does not select the most physically reasonable. The BAS (Belmont-Aunai-Smets) model [G. Belmont et al., Phys. Plasmas 19, 022108 (2012)] used for the first time the concept of particle accessibility to find new solutions: considering the case of a coplanar-antiparallel magnetic field configuration without electric field, asymmetric solutions could be found while the standard method can only lead to symmetric ones. These solutions were validated in a hybrid simulation [N. Aunai et al., Phys. Plasmas (1994-present) 20, 110702 (2013)], and more recently in a fully kinetic simulation as well [J. Dargent and N. Aunai, Phys. Plasmas (submitted)]. Nevertheless, in most asymmetric layers like the terrestrial magnetopause, one would indeed expect a magnetic field rotation from one direction to another without going through zero [J. Berchem and C. T. Russell, J. Geophys. Res. 87, 8139–8148 (1982)], and a non-zero normal electric field. In this paper, we propose the corresponding generalization: in the model presented, the profiles can be freely imposed for the magnetic field rotation (although restricted to a 180 rotation hitherto) and for the normal electric field. As it was done previously, the equilibrium is tested with a hybrid simulation.
Industry-relevant magnetron sputtering and cathodic arc ultra-high vacuum deposition system for in situ x-ray diffraction studies of thin film growth using high energy synchrotron radiation
Authors: Schroeder J. L. , Thomson W. , Howard B. , Schell N. , Näslund L.-Å. , Rogström L. , Johansson-Jõesaar M. P. , Ghafoor N. , Odén M. , Nothnagel E. , Shepard A. , Greer J. , Birch J.
Published: September 2015

We present an industry-relevant, large-scale, ultra-high vacuum (UHV) magnetron sputtering and cathodic arc deposition system purposefully designed for time-resolved in situ thin film deposition/annealing studies using high-energy (>50 keV), high photon flux (>1012 ph/s) synchrotron radiation. The high photon flux, combined with a fast-acquisition-time (<1 s) two-dimensional (2D) detector, permits time-resolved in situ structural analysis of thin film formation processes. The high-energy synchrotron-radiation based x-rays result in small scattering angles (<11°), allowing large areas of reciprocal space to be imaged with a 2D detector. The system has been designed for use on the 1-tonne, ultra-high load, high-resolution hexapod at the P07 High Energy Materials Science beamline at PETRA III at the Deutsches Elektronen-Synchrotron in Hamburg, Germany. The deposition system includes standard features of a typical UHV deposition system plus a range of special features suited for synchrotron radiation studies and industry-relevant processes. We openly encourage the materials research community to contact us for collaborative opportunities using this unique and versatile scientific instrument.
Note: Directly measuring the direct digital synthesizer frequency chirp-rate for an atom interferometer
Authors: Tao Juan-Juan , Zhou Min-Kang , Zhang Qiao-Zhen , Cui Jia-Feng , Duan Xiao-Chun , Shao Cheng-Gang , Hu Zhong-Kun
Published: September 2015

During gravity measurements with Raman type atom interferometry, the frequency of the laser used to drive Raman transition is scanned by chirping the frequency of a direct digital synthesizer (DDS), and the local gravity is determined by precisely measuring the chip rate α of DDS. We present an effective method that can directly evaluate the frequency chirp rate stability of our DDS. By mixing a pair of synchronous linear sweeping signals, the chirp rate fluctuation is precisely measured with a frequency counter. The measurement result shows that the relative α instability can reach 5.7 × 10−11 in 1 s, which is neglectable in a 10−9 g level atom interferometry gravimeter.
Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique
Authors: Fry-Petit A. M. , Rebola A. F. , Mourigal M. , Valentine M. , Drichko N. , Sheckelton J. P. , Fennie C. J. , McQueen T. M.
Published: September 2015

For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn2Mo3O8, this approach allows direct assignment of the constrained rotational mode of Mo3O13 clusters and internal modes of MoO6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems.
Optimization of the selective frequency damping parameters using model reduction
Authors: Cunha Guilherme , Passaggia Pierre-Yves , Lazareff Marc
Published: September 2015

In the present work, an optimization methodology to compute the best control parameters, χ and Δ, for the selective frequency damping method is presented. The optimization does not suppose any a priori knowledge of the flow physics, neither of the underlying numerical methods, and is especially suited for simulations requiring large quantity of grid elements and processors. It allows for obtaining an optimal convergence rate to a steady state of the damped Navier-Stokes system. This is achieved using the Dynamic Mode Decomposition, which is a snapshot-based method, to estimate the eigenvalues associated with global unstable dynamics. Validations test cases are presented for the numerical configurations of a laminar flow past a 2D cylinder, a separated boundary-layer over a shallow bump, and a 3D turbulent stratified-Poiseuille flow.
Assessment of performance potential of MoS2-based topological insulator field-effect transistors
Authors: Liu Leitao , Guo Jing
Published: September 2015

It was suggested that single-layer MoS2 at the 1T′ phase is a topological insulator whose electronic structure can be modulated by a vertical electric field for field-effect transistor (FET) applications [X. Qian, J. Liu, L. Fu, and J. Li, Science 346, 1344 (2014)]. In this work, performance potential of FETs based on vertical field modulation of the topological edge states is assessed by using quantum transport device simulations. To perform efficient device simulations, a phenomenological Hamiltonian is first proposed and validated to capture the effects of electric fields. Because the ON-state conductance is determined by transport through gapless edge states with a long scattering mean free path and the OFF-state conductance by transport through the gapped bulk states, the ON/OFF ratio is sensitive to the channel length, which is different from conventional FETs. Although a high vertical electric field is required to modulate the topological edge state, a reasonably small subthreshold swing of 131 mV/dec can still be achieved for a practical value of the gate insulator thickness.
Various notions of positivity for bi-linear maps and applications to tri-partite entanglement
Authors: Han Kyung Hoon , Kye Seung-Hyeok
Published: September 2015

We consider bi-linear analogues of s-positivity for linear maps. The dual objects of these notions can be described in terms of Schmidt ranks for tri-tensor products and Schmidt numbers for tri-partite quantum states. These tri-partite versions of Schmidt numbers cover various kinds of bi-separability, and so we may interpret witnesses for those in terms of bi-linear maps. We give concrete examples of witnesses for various kinds of three qubit entanglement.
Penetration of resonant magnetic perturbations in a rotating tokamak plasma with neoclassical poloidal viscosity
Authors: Wang Jialei , Wang Zheng-Xiong , Wei Lai
Published: September 2015

The penetration of time-dependant resonant magnetic perturbations (RMPs) is numerically studied by means of reduced magnetohydrodynamic simulations, taking into account the neoclassical poloidal viscosity (NPV) damping. It is found that with the increase of the RMP growth rate, the scalings of penetration threshold on resistivity as well as viscosity are significantly weakened in both viscoresistive and resistive-inertial regimes. In the high neoclassical viscosity regime, the scalings on neoclassical viscosity νnc are numerically obtained in the cases of different RMP growth rate and viscosity ν. In the low neoclassical viscosity regime, νnc almost has no effect on penetration threshold, which is unlike ν. Moreover, the synergistic effect of both νnc and ν on the threshold is discussed as well. Finally, the role of the NPV in the torque balance is analysed. It is shown that the NPV tends to restore the velocity profile in the vicinity of the rational surface.
Analysis of the maximum efficiency of kite-power systems
Authors: Costello S. , Costello C. , François G. , Bonvin D.
Published: September 2015

This paper analyzes the maximum power that a kite, or system of kites, can extract from the wind. First, a number of existing results on kite system efficiency are reviewed. The results that are generally applicable require significant simplifying assumptions, usually neglecting the effects of inertia and gravity. On the other hand, the more precise analyses are usually only applicable to a particular type of kite-power system. Second, a novel result is derived that relates the maximum power output of a kite system to the angle of the average aerodynamic force produced by the system. This result essentially requires no limiting assumptions, and as such it is generally applicable. As it considers average forces that must be balanced, inertial forces are implicitly accounted for. In order to derive practically useful results, the maximum power output is expressed in terms of the system overall strength-to-weight ratio, the tether angle, and the tether drag through an efficiency factor. The result is a simple analytic expression that can be used to calculate the maximum power-producing potential for a system of wings, flying either dynamically or statically, supported by a tether. As an example, the analysis is applied to two systems currently under development, namely, pumping-cycle generators and jet-stream wind power.