bluuebunny/crossref_metadata_2025 huggingface dataset:
Sub-micron pore size tailoring for efficient chiral discrimination
Authors: Herling Markus M. , Lacher Ulrike , Rieß Martin , Seibt Sebastian , Schwedes Mathias , Kalo Hussein , Schobert Rainer , Breu Josef
Published: December 2016

Microporous organically pillared layered silicates allow a pore size tuning in the sub-micron range, crucial for the efficient chiral discrimination of guest molecules.
Radical induced intermolecular linkage and energy level modifications of a porphyrin monolayer
Authors: Jahanbekam Abdolreza , Harthcock Colin , Lee David Y.
Published: December 2016

A new method to directly modify the surface structure and energy levels of a porphyrin monolayer was examined with molecular-scale resolution using scanning tunneling microscopy and spectroscopy (STM and STS) and presented in this communication.
Two different critical regimes enclosed in the Bean–Rodbell model and their implications for the field dependence and universal scaling of the magnetocaloric effect
Authors: Romero-Muñiz C. , Franco V. , Conde A.
Published: December 2016

In the last few years power laws and universal scaling have been extensively used to study the field dependence of the magnitudes involved in the magnetocaloric effect of materials.
Distant ultrafast energy transfer in a trimetallic {Ru–Ru–Cr} complex facilitated by hole delocalization
Authors: Cadranel Alejandro , Tate Jaired E. , Oviedo Paola S. , Yamazaki Shiori , Hodak José H. , Baraldo Luis M. , Kleiman Valeria D.
Published: December 2016

Multi-metallic complexes based on {Ru–Cr}, {Ru–Ru} and {Ru–Ru–Cr} fragments are investigated for their light-harvesting and long-range energy transfer properties.
A molecular dynamics study of the interaction of water with the external surface of silicalite-1
Authors: Smirnov Konstantin S.
Published: December 2016

The modeling study of the interaction of water with the external surface of silicalite-1 reveals retention of H2O molecules at the interface because of the formation of a structured water layer.
Excited state properties of β-carotene analogs incorporating a lactone ring
Authors: Kosumi Daisuke , Kajikawa Takayuki , Sakaguchi Kazuhiko , Katsumura Shigeo , Hashimoto Hideki
Published: December 2016

Ultrafast spectroscopy on short-polyene carotenoids with a lactone ring revealed roles of a carbonyl group in excited state dynamics.
Adsorption of CO on the rutile TiO2(110) surface: a dispersion-corrected density functional theory study
Authors: Prates Ramalho João P. , Illas Francesc , Gomes José R. B.
Published: December 2016

The geometry, energy and stretching frequency of carbon monoxide on the rutile TiO2(110) surface for coverages between 0.125 and 1.5 ML are investigated by means of density functional theory calculations.
Trends in water-promoted oxygen dissociation on the transition metal surfaces from first principles
Authors: Yan Ming , Huang Zheng-Qing , Zhang Yu , Chang Chun-Ran
Published: December 2016

The trend of O2 dissociation on the nine transition metal surfaces and the promotional role of water were systematically investigated.
Synergistic influence of inorganic oxides (ZrO2and SiO2) with N2H4to protect composite coatings obtained via plasma electrolyte oxidation on Mg alloy
Authors: Zoubi Wail Al , Kamil Muhammad Prisla , Ko Young Gun
Published: December 2016

The addition of nanoparticles to the coating layers provided an electrochemical pathway to generate functionalized coatings.
Water-gas-shift reaction on reduced gold-substituted Ce1−xO2(111) surfaces: the role of Au charge
Authors: Chang Ming-Wen , Sheu Wen-Shyan
Published: December 2016

Au+ falls into a relatively favorable condition for catalyzing the WGS reaction due to a compromise between attractive interaction and Coulomb repulsion between the Au and the transferred proton.
Quantum ergodicity breaking in semi-classical electron transfer dynamics
Authors: Goychuk Igor
Published: December 2016

Strange statistics of single-electron transfer events in a classically adiabatic electron transfer with strictly exponential ensemble kinetics.
The enthalpies of formation of carbon nanomaterials as a key factor for understanding their structural features
Authors: Suslova E. V. , Savilov S. V. , Ni J. , Lunin V. V. , Aldoshin S. M.
Published: December 2016

Carbon nanomaterials (CNMs), such as carbon nanotubes (CNTs), carbon nanoflakes (CNFs) and their N-doped derivatives, show sufficient correlations between structure, composition and properties.
Halogen bonding versus hydrogen bonding induced 2D self-assembled nanostructures at the liquid–solid interface revealed by STM
Authors: Wu Yican , Li Jinxing , Yuan Yinlun , Dong Meiqiu , Zha Bao , Miao Xinrui , Hu Yi , Deng Wenli
Published: December 2016

5-BHBA mainly forms CO⋯Br⋯H–C halogen bonds in 1-octanoic acid and forms –COOH⋯HOOC– hydrogen bonds in n-hexadecane.
Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers
Authors: Rams Michał , Tomkowicz Zbigniew , Böhme Michael , Plass Winfried , Suckert Stefan , Werner Julia , Jess Inke , Näther Christian
Published: December 2016

Two 1D Co(NCS)2 coordination polymers were synthesized and their magnetic properties were investigated by susceptibility and specific heat measurements as well as DFT and ab initio calculations.
Simultaneous NMR characterisation of multiple minima in the free energy landscape of an RNA UUCG tetraloop
Authors: Borkar Aditi N. , Vallurupalli Pramodh , Camilloni Carlo , Kay Lewis E. , Vendruscolo Michele
Published: December 2016

RNA molecules in solution tend to undergo structural fluctuations of relatively large amplitude and to populate a range of different conformations some of which are difficult to characterize because of their low populations.
Nano-sized graphene flakes: insights from experimental synthesis and first principles calculations
Authors: Lin Pin-Chun , Chen Yi-Rui , Hsu Kuei-Ting , Lin Tzu-Neng , Tung Kuo-Lun , Shen Ji-Lin , Liu Wei-Ren
Published: December 2016

We proposed a novel, simple, and green method for synthesizing highly homogeneous 50 nm GNFs with luminescence properties.
Theoretical investigation of gas-phase molecular complex formation between 2-hydroxy thiophenol and a water molecule
Authors: Kumar Deb Debojit , Sarkar Biplab
Published: December 2016

A systematic study of the interaction energies and hydrogen bonding interaction of a gas-phase molecular complex between 2-hydroxy thiophenol and a water molecule.
Highly efficient electrochemiluminescence labels comprising iridium(iii) complexes
Authors: Zhou Yuyang , Xie Kai , Leng Ruimei , Kong Lingyan , Liu Chengbao , Zhang Qingqing , Wang Xiaomei
Published: December 2016

Highly efficient iridium ECL labels exhibiting various emission colors have been developed. Importantly, BSA labeled with the novel iridium labels displays much more intense ECL than the same amount labeled by a traditional ruthenium label in ProCell buffer solution.
High-throughput screening of chemicals as functional substitutes using structure-based classification models
Authors: Phillips Katherine A. , Wambaugh John F. , Grulke Christopher M. , Dionisio Kathie L. , Isaacs Kristin K.
Published: December 2016

Structure-based predictions of chemicals' functions in products and reported bioactivities from toxicological assays can identify potentially safer alternatives.
GEOTRACES inter-calibration of the stable silicon isotope composition of dissolved silicic acid in seawater
Authors: Grasse Patricia , Brzezinski Mark A. , Cardinal Damien , de Souza Gregory F. , Andersson Per , Closset Ivia , Cao Zhimian , Dai Minhan , Ehlert Claudia , Estrade Nicolas , François Roger , Frank Martin , Jiang Guibin , Jones Janice L. , Kooijman Ellen , Liu Qian , Lu Dawei , Pahnke Katharina , Ponzevera Emanuel , Schmitt Melanie , Sun Xiaole , Sutton Jill N. , Thil François , Weis Dominique , Wetzel Florian , Zhang Anyu , Zhang Jing , Zhang Zhouling
Published: December 2016

The first inter-calibration study of the stable silicon isotope composition of dissolved silicic acid in seawater,δ30Si(OH)4, is presented as a contribution to the international GEOTRACES program.
Bicyclic enol cyclocarbamates inhibit penicillin-binding proteins
Authors: Dockerty Paul , Edens Jerre G. , Tol Menno B. , Morales Angeles Danae , Domenech Arnau , Liu Yun , Hirsch Anna K. H. , Veening Jan-Willem , Scheffers Dirk-Jan , Witte Martin D.
Published: December 2016

Natural products form attractive leads for the development of chemical probes and drugs.
Models to predict the magnetic properties of single- and multiple-bridged phosphate CuII systems: a theoretical DFT insight
Authors: Muñoz-Becerra K. , Aravena D. , Ruiz E. , Spodine E. , Soto-Donoso N. , Paredes-García V. , Venegas-Yazigi D.
Published: December 2016

Models for the 1,1 and 1,3-bridging modes of phosphate for copper(ii) compounds were developed. Using unrestricted corresponding orbitals (UCO), a graphical identification of the predominant exchange pathway was described.
Copper nitrate-mediated chemo- and regioselective annulation from two different alkynes: a direct route to isoxazoles
Authors: Li Yingying , Gao Mingchun , Liu Bingxin , Xu Bin
Published: December 2016

An efficient copper nitrate-mediated chemo- and regioselective annulation reaction of two different alkynes was developed to achieve polysubstituted isoxazoles.
One-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C–H functionalization
Authors: Chen Hui , Lin Cong , Xiong Chunhua , Liu Zhanxiang , Zhang Yuhong
Published: December 2016

A one-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C–H bond alkenylation of indoles.
Sm3+ and Eu3+ codoped SrBi2B2O7: a red-emitting phosphor with improved thermal stability
Authors: Wu Liwei , Bai Yuxing , Wu Li , Yi Huan , Kong Yongfa , Zhang Yi , Xu Jingjun
Published: December 2016

The thermal stability of the synthesized phosphor was improved as Sm3+ was used as the sensitizer for Eu3+ doped into SrBi2B2O7.
Microwave-assisted one-pot synthesis of hybrid nanosystems based on CdS quantum dots functionalized with organic chromophores: effect of the chromophore nature on the nanosystem composition
Authors: Chashchikhin Oleg V. , Budyka Mikhail F. , Gavrishova Tatiana N. , Li Vitalii M.
Published: December 2016

Quantum dot/organic dye nanosystems were synthesised via a one-pot technique. Different dependences of the nanosystem composition on the synthetic conditions for different dyes were observed.
Continuous flow hydrogenations using novel catalytic static mixers inside a tubular reactor
Authors: Avril A. , Hornung C. H. , Urban A. , Fraser D. , Horne M. , Veder J.-P. , Tsanaktsidis J. , Rodopoulos T. , Henry C. , Gunasegaram D. R.
Published: December 2016

Continuous flow reactor for the hydrogenation of organic substrates using novel catalytic static mixers.
Structure–reactivity relationship in Co3O4promoted Au/CeO2catalysts for the CH3OH oxidation reaction revealed by in situ FTIR and operando EXAFS studies
Authors: Manzoli M. , Vindigni F. , Tabakova T. , Lamberti C. , Dimitrov D. , Ivanov K. , Agostini G.
Published: December 2016

A strong influence of the amount of the Co3O4promoter on the catalytic performance in methanol oxidation of different gold catalysts supported on ceria was observed.
A facile synthesis of CuFeO2 and CuO composite photocatalyst films for the production of liquid formate from CO2 and water over a month
Authors: Kang Unseock , Park Hyunwoong
Published: December 2016

A single CuFeO2/CuO sample is thermally healed by recycling weekly via oxidative annealing, producing formate continuously for 35 d.
Rational design of a bi-layered reduced graphene oxide film on polystyrene foam for solar-driven interfacial water evaporation
Authors: Shi Le , Wang Yuchao , Zhang Lianbin , Wang Peng
Published: December 2016

A bi-layered photothermal material based on reduced graphene oxide film with nonporous polystyrene foam as substrate for solar-driven interfacial water evaporation.
Fullerene cation-mediated demethylation/cyclization to give 5- and 7-membered cyclo[60]fullerene derivatives
Authors: Matsuo Yutaka , Ogumi Keisuke , Zhang Ying , Okada Hiroshi , Nakagawa Takafumi , Ueno Hiroshi , Gocho Akiko , Nakamura Eiichi
Published: December 2016

Fullerene cations undergo demethylative cyclization through onium intermediates to give cyclo[60]fullerene derivatives for organic solar cell application.
Temperature sensitive p(N-isopropylacrylamide-co-acrylic acid) modified gold nanoparticles for trans-arterial embolization and angiography
Authors: Liu Yiming , Peng Xiaole , Qian Kun , Ma Yingying , Wan Jiangshan , Li Han , Zhang Hongsen , Zhou Guofeng , Xiong Bin , Zhao Yanbing , Zheng Chuansheng , Yang Xiangliang
Published: December 2016

Temperature-sensitive in situ hydrogels of GNP@PNA nanomedicine achieve good blood-vessel embolization and X-ray imaging on rabbits.
Multifunctional geometrical isomers of ferrocene-benzo[1,2-b:4,5-b′]difuran-2,6-(3H,7H)-dione adducts: second-order nonlinear optical behaviour and charge transport in thin film OFET devices
Authors: Singla Priya , Van Steerteghem Nick , Kaur Navdeep , Ashar A. Z. , Kaur Paramjit , Clays Koen , Narayan K. S. , Singh Kamaljit
Published: December 2016

New ferrocene based donor–acceptor chromophores depict structure-dependent second-order nonlinear polarizability and charge transport in thin film OFET devices.
Red emitting Eu:ZnO nanorods for highly sensitive fluorescence intensity ratio based optical thermometry
Authors: Senapati S. , Nanda K. K.
Published: December 2016

Red emitting Eu:ZnO nanorods for highly sensitive optical ratiometric temperature sensing by following the fluorescence intensity ratio technique.
Cu8GeSe6-based thermoelectric materials with an argyrodite structure
Authors: Jiang Binbin , Qiu Pengfei , Eikeland Espen , Chen Hongyi , Song Qingfeng , Ren Dudi , Zhang Tiansong , Yang Jiong , Iversen Bo Brummerstedt , Shi Xun , Chen Lidong
Published: December 2016

Cu8GeSe6argyrodite-type compound is a new thermoelectric material which exhibits extremely low lattice thermal conductivity and high thermoelectric performance.
Contaminants in commercial preparations of ‘purified’ small leucine-rich proteoglycans may distort mechanistic studies
Authors: Brown Sharon J. , Fuller Heidi R. , Jones Philip , Caterson Bruce , Shirran Sally L. , Botting Catherine H. , Roberts Sally
Published: December 2016

The present study reports the perplexing results that came about because of seriously impure commercially available reagents. Commercial reagents and chemicals are routinely ordered by scientists and expected to have been rigorously assessed for their purity. Unfortunately, we found this assumption to be risky. Extensive work was carried out within our laboratory using commercially sourced preparations of the small leucine-rich proteoglycans (SLRPs), decorin and biglycan, to investigate their influence on nerve cell growth. Unusual results compelled us to analyse the composition and purity of both preparations of these proteoglycans (PGs) using both mass spectrometry (MS) and Western blotting, with and without various enzymatic deglycosylations. Commercial ‘decorin’ and ‘biglycan’ were found to contain a mixture of PGs including not only both decorin and biglycan but also fibromodulin and aggrecan. The unexpected effects of ‘decorin’ and ‘biglycan’ on nerve cell growth could be explained by these impurities. Decorin and biglycan contain either chondroitin or dermatan sulfate glycosaminoglycan (GAG) chains whereas fibromodulin only contains keratan sulfate and the large (>2500 kDa), highly glycosylated aggrecan contains both keratan and chondroitin sulfate. The different structure, molecular weight and composition of these impurities significantly affected our work and any conclusions that could be made. These findings beg the question as to whether scientists need to verify the purity of each commercially obtained reagent used in their experiments. The implications of these findings are vast, since the effects of these impurities may already have led to inaccurate conclusions and reports in the literature with concomitant loss of researchers’ funds and time.
Response to the Letter to the Editor From Iliadou, Sirimanna, and Bamiou Regarding DeBonis (2015)
Authors: DeBonis David
Published: December 2016

Purpose

The purpose of this letter is to respond to “Central Auditory Processing Disorder Is Classified in ICD-10 and H93.25 and Hearing Evaluation—Not Screening—Should Be Implemented in Children With Verified Communication and/or Listening Deficits” by Iliadou, Sirimanna, and Bamiou (2016). The methodology used involved a close reading of the concerns expressed by Iliadou et al. in view of the central auditory processing disorder (CAPD) literature and the stated purpose of my original article (DeBonis, 2015). The literature used included clinical practice guidelines, respected journals, and recognized authorities on the topic. Many of the objections stated by Iliadou et al. are not well founded (e.g., ICD-10, use of ASHA definition, effect of auditory intervention, lack of research for the model, bias of the article), but their statement that a complete hearing assessment is necessary for students with listening difficulties is an important one that I endorse completely. In conclusion, my original article remains an effective vehicle for discussion about the value of current tests of auditory processing and how to better help students who have listening difficulties.
The Use of One or Three Semantic Associative Primes in Treating Anomia in Aphasia
Authors: Hashimoto Naomi
Published: December 2016

Purpose

The aims of the study were to investigate the use of semantic associative relationships as primes in treating naming deficits, or anomia, in aphasia and to determine if differential treatment effects would be found if 1 or 3 primes were presented.

Method

Ten individuals with varying degrees of anomia participated in the study. A single-subject, A-B treatment design with a cross-over component was used. A 1-PRIME condition (use of 1 prime) was compared with a 3-PRIMES condition (use of 3 primes) for each participant.

Results

Visual analyses of treatment data revealed improvements in 8 of 10 participants. Meaningful effect sizes were obtained in at least 1 of the conditions for 6 of the 10 participants. Slightly more participants demonstrated meaningful effect sizes in the 3-PRIMES condition than in the 1-PRIME condition. Correlation analyses revealed a positive correlation between the number of teaching episodes and 3-PRIMES probe performance.

Conclusions

The results support a protocol that uses semantic associative primes to increase naming accuracy in aphasia. The 3-PRIMES condition was slightly more beneficial than the 1-PRIME condition in terms of improving naming abilities in these participants, but there was no overwhelming advantage in using one or the other condition.
Assessment Fidelity in Aphasia Research
Authors: Richardson Jessica D. , Hudspeth Dalton Sarah Grace , Shafer Jennifer , Patterson Janet
Published: December 2016

Purpose

In aphasia treatment literature, scarce attention is paid to factors that may reduce a study's validity, including adherence to assessment and treatment procedures (i.e., fidelity). Although guidelines have been established for evaluating and reporting treatment fidelity, none exist for assessment fidelity.

Method

We reviewed treatment fidelity guidelines and related literature to identify assessment fidelity components. We then examined 88 aphasia treatment studies published between 2010 and 2015 and report the frequency with which researchers provide information regarding the following assessment fidelity components: assessment instruments, assessor qualifications, assessor or rater training, assessment delivery, assessor or rater reliability, and assessor blinding.

Results

We found that 4.5% of studies reported information regarding assessment instruments, 35.2% reported information regarding assessor qualifications, 6.85% reported information regarding assessor or rater training, 37.5% reported information regarding assessor or rater reliability, 27.3% reported on assessor blinding, and no studies reported information regarding assessment delivery.

Conclusions

There is a paucity of assessment fidelity information reported in aphasia treatment research. The authors propose a set of guidelines to ensure readers will be able to evaluate assessment fidelity, and thus study validity.
Core Outcomes in Aphasia Treatment Research: An e-Delphi Consensus Study of International Aphasia Researchers
Authors: Wallace Sarah J. , Worrall Linda , Rose Tanya , Le Dorze Guylaine
Published: December 2016

Purpose

The purpose of this article is to identify outcome constructs that aphasia researchers consider essential to measure in all aphasia treatment research.

Method

Purposively sampled researchers were invited to participate in a 3-round e-Delphi exercise. In Round 1, an open-ended question was used to elicit important outcome constructs; responses were analyzed using inductive content analysis. In Rounds 2 and 3, participants rated the importance of each outcome using a 9-point rating scale. Outcomes reaching predefined consensus criteria were further analyzed using International Classification of Functioning, Disability and Health coding.

Results

Eighty researchers commenced Round 1, with 72 completing the entire survey. High response rates (≥ 85%) were achieved in subsequent rounds. Consensus was reached on 6 outcomes: (a) language functioning in modalities relevant to study aims, (b) impact of treatment from the perspective of the person with aphasia (PWA), (c) communication-related quality of life, (d) satisfaction with intervention from the perspective of the PWA, (e) satisfaction with ability to communicate from the perspective of the PWA, and (f) satisfaction with participation in activities from the perspective of the PWA.

Conclusions

Consensus was reached that it is essential to measure language function and specific patient-reported outcomes in all aphasia treatment research. These results will contribute to the development of a core outcome set.
Influence of fingerprints and finger positioning on accuracy of RF blood glucose measurement from fingertips
Authors: Turgul V. , Kale I.
Published: December 2016

Non‐invasive blood glucose measurement has attracted great interest from researchers deploying various techniques where microwave sensing is one of them. Microwave resonators are utilised as sensors for measuring the glucose levels. A body part is placed on the sensor for a reading and the measurement principle lies in the change of the dielectric properties of blood with varying levels of glucose. The fingertip is a popular measurement site as there is a good amount of fresh blood supply. The position of the fingertip on the sensor has an effect on the sensor response due to the change in the propagation path of the EM field inside the finger. Moreover, fingerprints also affect the sensor response as the irregular ridges and valleys in the fingerprint introduce air gaps altering the effective permittivity seen by the sensor. The effects of fingerprints as well as finger positioning on the sensor is explored and explained.
Belt(s) of debris resolved around the Sco-Cen star HIP 67497
Authors: Bonnefoy M. , Milli J. , Ménard F. , Vigan A. , Lagrange A.-M. , Delorme P. , Boccaletti A. , Lazzoni C. , Galicher R. , Desidera S. , Chauvin G. , Augereau J. C. , Mouillet D. , Pinte C. , van der Plas G. , Gratton R. , Beust H. , Beuzit J. L.
Published: December 2016

Aims. In 2015, we initiated a survey of Scorpius-Centaurus A-F stars that are predicted to host warm-inner and cold-outer belts of debris similar to the case of the system HR 8799. The survey aims to resolve the disks and detect planets responsible for the disk morphology. In this paper, we study the F-type star HIP 67497 and present a first-order modelization of the disk in order to derive its main properties.

Methods. We used the near-infrared integral field spectrograph (IFS) and dual-band imager IRDIS of VLT/SPHERE to obtain angular-differential imaging observations of the circumstellar environnement of HIP 67497. We removed the stellar halo with PCA and TLOCI algorithms. The disk emission was modeled with the GRaTeR code.

Results. We resolve a ring-like structure that extends up to ~450 mas (~50 au) from the star in the IRDIS and IFS data. It is best reproduced by models of a non-eccentric ring with an inclination of 80 ± 1°, a position angle of −93 ± 1°, and a semi-major axis of 59 ± 3 au. We also detect an additional, but fainter, arc-like structure with a larger extension (0.65 arcsec) South of the ring that we model as a second belt of debris at ~130 au. We detect ten candidate companions at separations ≥1′′. We estimate the mass of putative perturbers responsible for the disk morphology and compare this to our detection limits. Additional data are needed to find those perturbers, and to relate our images to large-scale structures seen with HST/STIS.
“They never talk about a victim’s feelings: according to criminal law, feelings are not facts”—Portuguese judicial narratives about sex crimes
Authors: Ventura Isabel
Published: December 2016

Sexual violence is a central dimension of what is generally called violence against women. Historically, the law has been one of the structures that has reinforced gender inequality and legitimized male seizure of women’s sexuality within and outside marriage: legally, married women had no right to sexual freedom regarding their husbands and, at the same time, non-wed women who pressed charges against white men were accused of lying and faced victim-blaming judicial practices. Since the beginning of the 1990s, Portuguese rape legislation has changed in order to recognize that sex crimes offend someone’s right to sexual self-determination. The Criminal Code has abandoned expressions likemodestyanddecencywhen referring to sex crimes, and a controversial mitigating penalty norm based on a victim’s provocative behaviour or on the relation between the accused and the plaintiff was repealed in 1995. In addition, criminal law has evolved to a gender-neutral formulation and expanded the definition of rape adopting the “all penetration” formula. Nevertheless, the discourses of Portuguese jurisprudence and doctrine reveal stereotyped images about rape victims’ behaviour and biased evaluations against women. Therefore, the ‘law in books’ must be analysed in its relation with ‘law in action’, which is unescapably influenced by doctrine and by magistrates’ individual beliefs. This paper aims to capture judicial representations of rape, rape victims and offenders. Qualitative data are used based on 20 semi-structured interviews with 18 judges and prosecutors and two attorneys. The interviews were analysed through critical discourse analysis using a feminist approach. This article is published as part of a collection on gender studies.
Women in management: perspectives on a decade of research (2005–2015)
Authors: Paoloni Paola , Demartini Paola
Published: December 2016

Awareness of gender as a central feature in all aspects of everyday life and society has become more and more widespread. The dynamic and constantly evolving nature of the social sciences reflects the increasing concern for gender studies. This article provides a review of some of the recent literature (published in specialist journals) on gender in management and organizations to examine contributions from academics associated with different research areas. A total of 723 articles are examined from two key journals (Gender, Work & Organisation [GWO] and Gender in Management [GIM]) to outline leading issues and themes in recent research over the period 2005–2015. While we identify several similarities between the two journals, ‘Corporate Governance’ is the topic that seems to capture most attention in GIM, while GWO’s coverage is more focused on ‘Discrimination’ in the workplace, ‘Differences between men and women’ and ‘Conflicts of interest’. This paper contributes to the literature in two ways. First, it provides a focused analysis of gender research published over a 10-year period. In addition, it outlines areas for future research in the field of gender in management and organization (that is, gender quotas, new business opportunities for female entrepreneurs) and advocates for a more interdisciplinary research approach. This article is published as part of a collection on the role of women in management and the workplace.
Effects of Transparency: Analyzing Social Biases on Trader Performance in Social Trading
Authors: Glaser Florian , Risius Marten
Published: December 2016

Social Trading platforms combine the trading functionalities of classical online broker services with the communication and interaction features of social networks. Next to following other users’ profiles, a main characteristic of social trading platforms is the possibility to follow other users by automatically copying their trades. By being a technologically based financial intermediary that enables individual profit maximization, social trading platforms constitute a contemporary example of financialization. Our empirical analysis of the behavior of traders on a social trading platform provides new insights on financialization related questions regarding the influence of transparency and interaction in delegated investment environments. The disposition effect is a well-studied behavioral bias of investors and traders. Human investors tend to realize returns of their winning positions too early and let unfavorable positions accumulate losses for too long. We find that on social trading platforms the traders’ sensitivity to the disposition effect is influenced by the amount of attention they receive from their followers who invested capital into the traders’ strategy. These novel insights propose a link between principal-agent theory and the disposition effect induced by transparency mechanisms. We extend the literature on trader-investor interaction channels in social trading networks. The results obtained in a social network environment are of high relevance for regulators who have a strong focus on customer protection and financial services regulation. They also provide guidelines for platform designers, traders, investors and social trading platform operators.
Soft versus hard junction formation for α-terthiophene molecular wires and their charge transfer complexes
Authors: Vezzoli Andrea , Grace Iain M. , Brooke Carly , Nichols Richard J. , Lambert Colin J. , Higgins Simon J.
Published: December 2016

We used a range of scanning tunnelling microscopy (STM)-based methods to conduct a detailed study of single molecule junction conductance enhancement upon charge transfer complex formation, using bis(thiaalkyl)arene molecular wires as electron donors and tetracyanoethylene (TCNE) as an electron acceptor. Using the “hard” STM break junction (STM-BJ) method, in which a Au STM tip is pushed into a Au substrate and then withdrawn in the presence of molecules, we see a single, very broad, peak in the resulting conductance histogram when all data are used; the conductance enhancement is 25-fold for a terthiophene donor and 15-fold for a phenyl group. After rational data selection, in which only current-distance curves that contain a current plateau >0.2 nm long are used in the conductance histogram, three sharper peaks are resolved in the histograms for the charge transfer complexes; two substantially lower-conductance peaks are resolved for the uncomplexed molecules. Using the “soft” STM I(s) technique, in which initial contact between tip and substrate is avoided and the current limit is about an order of magnitude lower, we were able to resolve two peaks for the uncomplexed molecules depending upon the initial set point current (i.e., tip height), one at the same value as the lower of the two data-selected STM-BJ histogram peaks and an additional peak beyond the low-current limit for the STM-BJ experiment. For the terthiophene, the low, medium, and high conductance peaks for the TCNE complex are, respectively, ca. 70, 70, and 46 times higher in conductance than the corresponding peaks for the free molecule.
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
Authors: Malbon Christopher L. , Zhu Xiaolei , Guo Hua , Yarkony David R.
Published: December 2016

For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian Hd (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the Hd by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding Hd determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.
Evaluation of a flat-field grazing incidence spectrometer for highly charged ion plasma emission in soft x-ray spectral region from 1 to 10 nm
Authors: Dinh Thanh Hung , Kondo Yoshiki , Tamura Toshiki , Ono Yuichi , Hara Hiroyuki , Oikawa Hiroki , Yamamoto Yoichi , Ishino Masahiko , Nishikino Masaharu , Makimura Tetsuya , Dunne Padraig , O’Sullivan Gerry , Ohta Shigeru , Kitano Ken , Ejima Takeo , Hatano Tadashi , Higashiguchi Takeshi
Published: December 2016

A flat-field grazing incidence spectrometer operating on the spectral region from 1 to 10 nm was built for research on physics of high temperature and high energy density plasmas. It consists of a flat-field grating with 2400 lines/mm as a dispersing element and an x-ray charged coupled device (CCD) camera as the detector. The diffraction efficiency of the grating and the sensitivity of the CCD camera were directly measured by use of synchrotron radiation at the BL-11D beamline of the Photon Factory (PF). The influence of contamination to the spectrometer also was characterized. This result enables us to evaluate the absolute number of photons in a wide range wavelength between 1 and 10 nm within an acquisition. We obtained absolutely calibrated spectra from highly charged ion plasmas of Gd, from which a maximum energy conversion efficiency of 0.26% was observed at a Nd:YAG laser intensity of 3 × 1012 W/cm2.
Microdisk lasers based on GaInNAs(Sb)/GaAs(N) quantum wells
Authors: Kryzhanovskaya N. V. , Moiseev E. I. , Polubavkina Yu. S. , Zubov F. I. , Maximov M. V. , Lipovskii A. A. , Kulagina M. M. , Troshkov S. I. , Korpijärvi V.-M. , Niemi T. , Isoaho R. , Guina M. , Lebedev M. V. , Lvova T. V. , Zhukov A. E.
Published: December 2016

We report on microdisk lasers based on GaInNAs(Sb)/GaAs(N) quantum well active region. Their characteristics were studied under electrical and optical pumping. Small-sized microdisks (minimal diameter 2.3 μm) with unprotected sidewalls show lasing only at temperatures below 220 K. Sulfide passivation followed by SiNx encapsulation allowed us achieving room temperature lasing at 1270 nm in 3 μm GaInNAs/GaAs microdisk and at 1550 nm in 2.3 μm GaInNAsSb/GaAsN microdisk under optical pumping. Injection microdisk with a diameter of 31 μm based on three GaInNAs/GaAs quantum wells and fabricated without passivation show lasing up to 170 K with a characteristic temperature of T0 = 60 K.
Quantum cutting induced multifold enhanced emission from Cr3+-Yb3+-Nd3+ doped zinc fluoroboro silicate glass—Role of host material
Authors: Ghosh Debarati , Balaji S. , Biswas K. , Annapurna K.
Published: December 2016

Energy transfer induced multifold enhanced emission from Yb3+ is realized in a new series of Cr3+-Yb3+ co-doped as well as Cr3+-Yb3+-Nd3+ triply doped zinc fluoroboro silicate glass system. The observed multifold enhancement of Yb3+ emission under Cr3+ excitation is attributed to probable occurrence of the quantum cutting process that is credited to the present host matrix where emission of Cr3+ is red shifted to 920 nm, which is resonant with Yb3+ absorption. The sensitized luminescence of Yb3+ in the Cr3+-Yb3+ system has further been enhanced upon inclusion of Nd3+, thus demonstrating bridging action of Nd3+ ions in this energy transfer process. The energy transfer efficiency from Cr → Yb is enhanced from 38% to 54% in the presence of Nd3+ ions. The absolute quantum yield of Yb3+ ions under Cr3+ excitation for the optimized Cr-Yb sample is found to be more than double of the Cr3+ singly doped sample and increased further in Cr-Yb-Nd doped glass confirming the contribution of quantum cutting in the energy transfer mechanism.
Constant pH simulations of pH responsive polymers
Authors: Sharma Arjun , Smith J. D. , Walters Keisha B. , Rick Steven W.
Published: December 2016

Polyacidic polymers can change structure over a narrow range of pH in a competition between the hydrophobic effect, which favors a compact state, and electrostatic repulsion, which favors an extended state. Constant pH molecular dynamics computer simulations of poly(methacrylic acid) reveal that there are two types of structural changes, one local and one global, which make up the overall response. The local structural response depends on the tacticity of the polymer and leads to different cooperative effects for polymers with different stereochemistries, demonstrating both positive and negative cooperativities.
Kinetic models of sub-ion cylindrical magnetic hole
Authors: Shustov P. I. , Artemyev A. V. , Vasko I. Y. , Yushkov E. V.
Published: December 2016

Magnetic holes are magnetoplasma structures very similar to the classical θ–pinch. They are widely observed in the space plasma and identified by the substantial magnetic field depressions on scales from magnetohydrodynamic range to electron scales. In this paper, we develop the kinetic models of cylindrically symmetric magnetic holes with sub-ion scales using two types of charged particle distribution functions (both current-carrying and background plasma populations are included). We demonstrate that developed magnetic holes have configurations very similar to those revealed in the recent spacecraft observations in the Earth magnetosphere: both localized electron currents and strong radial electric fields are found at the magnetic hole boundary. We demonstrate that for realistic plasma parameters, the inclusion of ion currents into the model produces magnetic holes with double-scale magnetic field profile. We find that the magnetic hole depth (amplitude of the magnetic field depression) depends on the magnetic hole typical radius. Possible applications of developed models are discussed.
Effect of the shear viscosity on plasma sheath in an oblique magnetic field
Authors: Wang Ting-Ting , Li Jing-Ju , Ma J. X.
Published: December 2016

In a magnetized plasma sheath, strong velocity shear exists owing to the three-dimensional nature of ion velocity. Thus, the ion viscosity should have an important effect on the sheath structure, which has not been studied. This article presents the study of the effect of ion shear viscosity on the sheath in an oblique magnetic field within the framework of classical cross-field transport. It is shown that the inclusion of the shear viscosity in the ion momentum equation results in a significant reduction in the sheath thickness. It is also shown that the “generalized Bohm criterion” is not affected by the shear viscosity within the present model. However, additional boundary conditions such as the velocity shear arise in the viscous case. The appropriate boundary conditions are formulated, accounting for E × B and diamagnetic drifts at the sheath edge, which affects the criterion and sheath profiles.
Effects of airflow on the distribution of filaments in atmospheric AC dielectric barrier discharge
Authors: Fan Zhihui , Qi Haicheng , Liu Yidi , Yan Huijie , Ren Chunsheng
Published: December 2016

Atmospheric-pressure dielectric barrier discharge (DBD) accompanied by airflow has attracted a significant attention for its extensive applications. In this paper, the effects of airflow on the characteristics of the atmospheric air DBD plasma are experimentally investigated using the DBD reactor excited by a 15 kHz AC power source. In order to study the discharge filaments distribution at different flow rates, transparent conductive indium tin oxide film is used as the upper electrode, and quartz glasses are used as insulated dielectrics. Experiment results prove that the breakdown voltage is decreased and more current pulses with declined amplitudes are produced when the airflow is introduced into the discharge gap. It is confirmed that although the discharge seems to be diffuse in the presence of airflow to the naked eyes, the discharge mode remains filamentary in the intensified charge-coupled device images within a single AC cycle. By acquiring the images with a different exposure time, it can be recognized that the discharge filaments move along the flow field direction with a velocity less than the corresponding flow rate. The movement of discharge filaments is attributed to the motion of the charge induced by the airflow.
Opto-electro-modulated transient photovoltage and photocurrent system for investigation of charge transport and recombination in solar cells
Authors: Shi Jiangjian , Li Dongmei , Luo Yanhong , Wu Huijue , Meng Qingbo
Published: December 2016

An opto-electro-modulated transient photovoltage/photocurrent system has been developed to probe microscopic charge processes of a solar cell in its adjustable operating conditions. The reliability of this system is carefully determined by electric circuit simulations and experimental measurements. Using this system, the charge transport, recombination and storage properties of a conventional multicrystalline silicon solar cell under different steady-state bias voltages, and light illumination intensities are investigated. This system has also been applied to study the influence of the hole transport material layer on charge extraction and the microscopic charge processes behind the widely considered photoelectric hysteresis in perovskite solar cells.
Intermittent Bellerophon state in frequency-weighted Kuramoto model
Authors: Zhou Wenchang , Zou Yong , Zhou Jie , Liu Zonghua , Guan Shuguang
Published: December 2016

Recently, the Bellerophon state, which is a quantized, time dependent, clustering state, was revealed in globally coupled oscillators [Bi et al., Phys. Rev. Lett. 117, 204101 (2016)]. The most important characteristic is that in such a state, the oscillators split into multiple clusters. Within each cluster, the instantaneous frequencies of the oscillators are not the same, but their average frequencies lock to a constant. In this work, we further characterize an intermittent Bellerophon state in the frequency-weighted Kuramoto model with a biased Lorentzian frequency distribution. It is shown that the evolution of oscillators exhibits periodical intermittency, following a synchronous pattern of bursting in a short period and resting in a long period. This result suggests that the Bellerophon state might be generic in Kuramoto-like models regardless of different arrangements of natural frequencies.
Plasma-assisted atomic layer deposition of conformal Pt films in high aspect ratio trenches
Authors: Erkens I. J. M. , Verheijen M. A. , Knoops H. C. M. , Keuning W. , Roozeboom F. , Kessels W. M. M.
Published: December 2016

To date, conventional thermal atomic layer deposition (ALD) has been the method of choice to deposit high-quality Pt thin films grown typically from (MeCp)PtMe3 vapor and O2 gas at 300 °C. Plasma-assisted ALD of Pt using O2 plasma can offer several advantages over thermal ALD, such as faster nucleation and deposition at lower temperatures. In this work, it is demonstrated that plasma-assisted ALD at 300 °C also allows for the deposition of highly conformal Pt films in trenches with high aspect ratio ranging from 3 to 34. Scanning electron microscopy inspection revealed that the conformality of the deposited Pt films was 100% in trenches with aspect ratio (AR) up to 34. These results were corroborated by high-precision layer thickness measurements by transmission electron microscopy for trenches with an aspect ratio of 22. The role of the surface recombination of O-radicals and the contribution of thermal ALD reactions is discussed.
Investigating influence of the magnetic arc blow in multi-break vacuum circuit breakers
Authors: Liao Minfu , Ge Guowei , Duan Xiongying , Huang Zhihui , Zou Jiyan
Published: December 2016

This paper investigates the influence of the interactive magnetic field in multi-break vacuum circuit breakers (VCBs) on the arc plasma and the post-arc characteristics. The magnetic field of multi-break VCBs is asymmetric and off-center because of the interactive magnetic field, which is also called bias magnetic field (BMF). The BMF distribution of double-break VCBs is gained by electromagnetic analysis. The test circuit of the magnetic arc blow in multi-break VCBs is established by simplifying as the interaction between the vacuum arc and the BMF. The influence of the magnetic arc blow on the arc plasma is studied by the high-speed CMOS camera and the post-arc current measure. While the vacuum arc is in the direction of the Ampere force with the BMF at 200 mT, it is in the retrograde direction when the BMF is below 100 mT, which results in the post-arc charge obviously varying from 9 μC to 50 μC. The relationship between the BMF and the post arc charge is gained. The mechanism of the magnetic arc blow in multi-break VCBs is discussed. Therefore, this paper can provide the base of construct and configuration to avoid the influence of the magnetic arc blow.