bluuebunny/crossref_metadata_2025 huggingface dataset:
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory
Authors: Bao Junwei Lucas , Zhang Xin , Xu Xuefei , Truhlar Donald G.
Published: January 2017

We test the accuracy of Kohn–Sham density functional theory for strongly correlated metal–metal bonds that occur in catalytically active sites and intermediates and examine the orbitals and configurations involved to analyze the results.
Microscopic nucleation and propagation rates of an alanine-based α-helix
Authors: Lin Chun-Wei , Gai Feng
Published: January 2017

The helical nucleation and propagation rate constants of an alanine-based peptide were explicitly determined, providing new insight into the helix–coil transition dynamics.
External surface and pore mouth catalysis in hydrolysis of inulin over zeolites with different micropore topologies and mesoporosities
Authors: Oh Su Cheun , Nguyendo Thien , He Yao , Filie Amanda , Wu Yiqing , Tran Dat T. , Lee Ivan C. , Liu Dongxia
Published: January 2017

External surface and pore mouth catalysis for inulin hydrolysis over zeolite catalysts.
An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes
Authors: Suzuki Shuichi , Kira Sayaka , Kozaki Masatoshi , Yamamura Masaki , Hasegawa Toru , Nabeshima Tatsuya , Okada Keiji
Published: January 2017

One-pot synthesis of (nitronyl nitroxide)-gold(i)-phosphine (NN-Au-P) complexes has been developed using chloro(tetrahydrothiophene)gold(i), phosphine ligands, nitronyl nitroxide radicals, and sodium hydroxide.
One-pot synthesis of ultrastable pentanuclear alkylzinc complexes
Authors: Bunzen Hana , Grzywa Maciej , Kalytta-Mewes Andreas , Volkmer Dirk
Published: January 2017

The first ever reported organometallic compounds featuring a Kuratowski-type bond topology were found to be unexpectedly chemically and thermally stable.
Synthesis, characterization and magnetic studies on mono-, di-, and tri-nuclear Cu(ii) complexes of a new versatile diazine ligand
Authors: Anwar Muhammad U. , Rawson Jeremy M. , Gavey Emma L. , Pilkington Melanie , Al-Harrasi Ahmed , Thompson Laurence K.
Published: January 2017

A new open chain diazine-based ligand that incorporates different coordinating groups, namely bipy, hydrazone, and oxime, reacts with CuII ions to yield a variety of different coordination complexes.
Controlled synthesis of Bi25FeO40 with different morphologies: growth mechanism and enhanced photo-Fenton catalytic properties
Authors: Ji Wenda , Li Mingmeng , Zhang Gaoke , Wang Pei
Published: January 2017

Bi25FeO40 microtetrahedra, microcubes and microspheres were synthesized via a simple hydrothermal method and the microcubes showed enhanced photo-Fenton catalytic activity.
(Indolylalkyl)piperidine carbamates as inhibitors of fatty acid amide hydrolase (FAAH)
Authors: Dahlhaus Helmut , Hanekamp Walburga , Lehr Matthias
Published: January 2017

Studies on FAAH inhibitory potency and metabolic stability of indolyl-substituted alkyl- and alkylpiperidine carbamates are described.
Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles
Authors: Enciso Alan E. , Doni Giovanni , Nifosì Riccardo , Palazzesi Ferruccio , Gonzalez Roberto , Ellsworth Amy A. , Coffer Jeffery L. , Walker Amy V. , Pavan Giovanni M. , Mohamed Ahmed A. , Simanek Eric E.
Published: January 2017

Upon reduction with sodium borohydride, diazonium tetrachloroaurate salts of triazine dendrons yield dendron-coated gold nanoparticles connected by a gold–carbon bond.
Glyco-functionalized dinuclear rhenium(i) complexes for cell imaging
Authors: Palmioli Alessandro , Aliprandi Alessandro , Septiadi Dedy , Mauro Matteo , Bernardi Anna , De Cola Luisa , Panigati Monica
Published: January 2017

New luminescent glycosilated rhenium complexes were synthesized and evaluated as dyes for optical imaging.
Control over the assembly and rheology of supramolecular networks via multi-responsive double hydrophilic copolymers
Authors: Brassinne Jérémy , Fustin Charles-André , Gohy Jean-François
Published: January 2017

An orthogonal control over network formation and dynamics is achieved in metallo-supramolecular micellar gels via multi-responsive double hydrophilic copolymers.
Investigation into the mechanism of photo-mediated RAFT polymerization involving the reversible photolysis of the chain-transfer agent
Authors: Cabannes-Boué Benjamin , Yang Qizhi , Lalevée Jacques , Morlet-Savary Fabrice , Poly Julien
Published: January 2017

A new dithiocarbamate with a N-carbazole Z group is synthesized and investigated as a chain-transfer agent (CTA) in a photo-mediated RAFT polymerization mechanism involving its partial and reversible photolysis.
Injectable doxorubicin-loaded hydrogels based on dendron-like β-cyclodextrin–poly(ethylene glycol) conjugates
Authors: Sheng Jian , Wang Ying , Xiong Lu , Luo Qiaojie , Li Xiaodong , Shen Zhiquan , Zhu Weipu
Published: January 2017

Dendron-like CD–PEG conjugates with multiple acrylates were synthesized facilely, which can incorporate adamantane-modified doxorubicin and further be crosslinked by POEGMS, to give injectable doxorubicin-loaded hydrogels.
Composition-controllable synthesis of defect-rich PtPdCu nanoalloys with hollow cavities as superior electrocatalysts for alcohol oxidation
Authors: Lan Jian , Wang Kai , Yuan Qiang , Wang Xun
Published: January 2017

Defect-rich PtPdCu nanoalloys with hollow cavities as superior electrocatalysts for alcohol oxidation have been achieved by a facile aqueous solution approach.
Efficient in vivo siRNA delivery by stabilized d-peptide-based lipid nanoparticles
Authors: Ganbold Tsogzolmaa , Gerile Gerile , Xiao Hai , Baigude Huricha
Published: January 2017

A lipid functionalized d-dipeptide has shown remarkable biocompatibility and tissue targeting as well as excellent RNAi delivery efficiency in vivo.
The electronic properties of the stanene/MoS2 heterostructure under strain
Authors: Ren Ceng-Ceng , Feng Yong , Zhang Shu-Feng , Zhang Chang-Wen , Wang Pei-Ji
Published: January 2017

The effect of a MoS2 substrate on the structural and electronic properties of stanene were systematically investigated by first-principles calculations.
Rapid electrochemical synthesis of HKUST-1 on indium tin oxide
Authors: Jiang Li-Long , Zeng Xiangzhou , Li Mengkai , Wang Man-Qing , Su Tong-Yu , Tian Xiao-Chun , Tang Jing
Published: January 2017

We synthesized a HKUST-1 metal–organic framework (MOF) on indium tin oxide (ITO) using an electrodeposited Cu film.
Green synthesis, physio-chemical characterization and anti-candidal function of a biocompatible chitosan gold nanocomposite as a promising antifungal therapeutic agent
Authors: Dananjaya S. H. S. , Udayangani R. M. C. , Oh Chulhong , Nikapitiya Chamilani , Lee Jehee , De Zoysa Mahanama
Published: January 2017

Green synthesized chitosan gold nanocomposite (CAuNC) and its anti-candidal function.
Advantages of the polysaccharides from Gracilaria lemaneiformis over metformin in antidiabetic effects on streptozotocin-induced diabetic mice
Authors: Wen Lingrong , Zhang Yunlin , Sun-Waterhouse Dongxiao , You Lijun , Fu Xiong
Published: January 2017

In the present study, polysaccharides fromGracilaria lemaneiformis(GLP) were obtained by citric acid extraction, and had a low molecular weight (21.2 kDa) with a high amount of galactose.
High-flux underwater superoleophobic hybrid membranes for effective oil–water separation from oil-contaminated water
Authors: Zeng Minxiang , Peng Baoliang , Ybanez Carlos , Tan Nian Wei , Deeb Ehab Abo , Bordovsky Eric , Choi Chang-Hyun , Echols Ian , Nguyen Andrew , Ye Alan , Dendumrongsup Nutchapol , Zhang Lecheng , Huang Dali , Wang Pingmei , Luo Jianhui , Situ Yue , Cheng Zhengdong
Published: January 2017

The pristine filter papers were crosslinked with polyvinyl alcohol by tolylene diisocyanate, leading to a superoleophobic surface which enables excellent oil–water separation efficiency.
Cyclic molecule aerogels: a robust cyclodextrin monolith with hierarchically porous structures for removal of micropollutants from water
Authors: Wang Jin , Wang Xuchun , Zhang Xuetong
Published: January 2017

Mechanically strong cyclodextrin aerogel monoliths with intrinsic nano-cavities and synthetic micropores/mesopores were synthesized for purifying water containing various micropollutants.
Quantum dot-induced improved performance of cadmium telluride (CdTe) solar cells without a Cu buffer layer
Authors: Li Jiajie , Zhang Yumin , Gao Tangling , Hu Chang , Yao Tai , Yuan Quan , Wang Xianjie , Xu Ping , Zhang Zhihua , Jian Jikang , Zhang Xinghong , Song Bo
Published: January 2017

We demonstrate an innovative strategy for quantum dot-induced improved performance of cadmium telluride solar cells without a Cu buffer layer.
Determination of genotoxic impurities monomethyl sulfate and dimethyl sulfate in active pharmaceutical ingredients
Authors: Abdel Rahman Mona Hamdy , Gullick Darren R. , Hoerner Joshua , Bartlett Michael G.
Published: January 2017

Dimethyl sulfate (DMS) and monomethyl sulfate (MMS) are potential genotoxic impurities created during synthesis of some active pharmaceutical ingredients.
Self-assembly of stable luminescent lanthanide supramolecular M4L6cages with sensing properties toward nitroaromatics
Authors: Liu Cui-Lian , Zhou Li-Peng , Tripathy Debakanta , Sun Qing-Fu
Published: January 2017

We report here the first example of concentration-triggered helicate-to-tetrahedron transformation in supramolecular lanthanide edifices, along with their highly efficient and selective luminescence sensing properties toward PA at the ppb level.
Ag-NPs embedded in two novel Zn3/Zn5-cluster-based metal–organic frameworks for catalytic reduction of 2/3/4-nitrophenol
Authors: Wu Xue-Qian , Huang Dan-Dan , Zhou Zhi-Hang , Dong Wen-Wen , Wu Ya-Pan , Zhao Jun , Li Dong-Sheng , Zhang Qichun , Bu Xianhui
Published: January 2017

Two novel microporous Zn-MOFs consist of different SBUs have been used to embed Ag NPs, resulting in two composite catalysts, which show outstanding catalytic activities toward the reduction of nitrophenol.
The first examples of multiply bonded dirhenium(iii,ii) paramagnetic complexes containing nitrobenzoate ligands: spectroscopic, structural, cytotoxicity and computational studies
Authors: Mallick Suman , Ghosh Mrinal Kanti , Mandal Suman , Rane Vinayak , Kadam Ramakant , Chatterjee Annesha , Bhattacharyya Arindam , Chattopadhyay Swarup
Published: January 2017

The synthesis and structural characterization of the hitherto unreported multiply bonded paramagnetic dirhenium(iii,ii) nitrobenzoate complexes have been reported.
A versatile platform for surface modification of microfluidic droplets
Authors: Li Mingqiang , Jiang Weiqian , Chen Zaozao , Suryaprakash Smruthi , Lv Shixian , Tang Zhaohui , Chen Xuesi , Leong Kam W.
Published: January 2017

Droplet surface decoration: method for surface modification of microfluidic emulsions, with precise control over droplet surface properties.
Nanofibers for improving the wound repair process: the combination of a grafted chitosan and an antioxidant agent
Authors: Mei Lan , Fan Rangrang , Li Xiaoling , Wang Yuelong , Han Bo , Gu Yingchun , Zhou Liangxue , Zheng Yu , Tong Aiping , Guo Gang
Published: January 2017

Wound healing, a complex process involving several important biomolecules and pathways, requires efficient dressings to enhance the therapy effects.
Efficient unimolecular photoinitiators for simultaneous hybrid thiol–yne–epoxy photopolymerization under visible LED light irradiation
Authors: Li Zhiquan , Shen Weizhen , Liu Xiaoya , Liu Ren
Published: January 2017

Several unimolecular photoinitiators, which generate free radicals and super bases in one step under visible LED light irradiation, can efficiently induce simultaneous hybrid thiol–yne–epoxy photopolymerization.
Gas kinematics in powerful radio galaxies at z ~ 2: Energy supply from star formation, AGN, and radio jets
Authors: Nesvadba N. P. H. , Drouart G. , De Breuck C. , Best P. , Seymour N. , Vernet J.
Published: January 2017

We compare the kinetic energy and momentum injection rates from intense star formation, bolometric AGN radiation, and radio jets with the kinetic energy and momentum observed in the warm ionized gas in 24 powerful radio galaxies at z ~ 2. These galaxies are among our best candidates for being massive galaxies near the end of their active formation period, when intense star formation, quasar activity, and powerful radio jets all co-exist. All galaxies have VLT/SINFONI imaging spectroscopy of the rest-frame optical line emission, showing extended emission-line regions with large velocity offsets (up to 1500 km s-1) and line widths (typically 800–1000 km s-1) consistent with very turbulent, often outflowing gas. As part of the HeRGÉ sample, they also have FIR estimates of the star formation and quasar activity obtained with Herschel/PACS and SPIRE, which enables us to measure the relative energy and momentum release from each of the three main sources of feedback in massive, star-forming AGN host galaxies during their most rapid formation phase. We find that star formation falls short by factors 10−1000 of providing the energy and momentum necessary to power the observed gas kinematics. The obscured quasars in the nuclei of these galaxies provide enough energy and momentum in about half of the sample, however, only if both are transferred to the gas relatively efficiently. We compare with theoretical and observational constraints on the efficiency of the energy and momentum transfer from jet and AGN radiation, which favors the radio jets as main drivers of the gas kinematics.
Trapped Fourth Ventricle in Recurrent Acoustic Schwannoma - A Rarity
Authors: Kumar Vinod , Hegde Ajay , Nair Rajesh , Menon Girish
Published: January 2017

Fourth ventricular dilatation is usually seen along with tri-ventriculomegaly in patients with communicating hydrocephalus. Isolated fourth ventricular dilatation is uncommon, especially as a sequelae following infective or post hemorrhagic communicating hydrocephalus. Communicating hydrocephalus is reported in vestibular schwannoma with an incidence of 3.7 to 23.5%, but 4th ventricular dilatation following its treatment has not been reported in the literature. We report a novel case of isolated fourth ventricular obstruction following surgery for recurrent vestibular schwannoma and ventriculoperitoneal shunt placement for communicating hydrocephalus. Management strategies range from endoscopic procedures to ventricular shunt placement. We describe the surgical technique for the placement of a fourth ventricular shunt with the use of a Y connector.
Facial Nerve Schwannomas Mimicking as Vestibular Schwannomas
Authors: Wise Sean , Cohen David , Bell Jason , Bojrab Dennis , LaRouere Michael , Kircher Matthew , Babu Seilesh , McNulty Beth
Published: January 2017

Objective The objective of this study was to identify preoperative and intraoperative findings that may aid in distinguishing facial nerve schwannomas (FNS) from vestibular schwannomas (VSs), particularly in cases limited to the internal auditory canal (IAC) and cerebellopontine angle (CPA).

Study Design This was a retrospective study.

Setting This study was set at a Tertiary Referral Center.

Patients Seventeen cases from October 2002 to July 2015 with an IAC/CPA mass presumed to be a VS who were found to have a FNS intraoperatively.

Main Outcome Measures The main outcome measures included preoperative presentation, intraoperative findings, and subsequent intervention.

Results Preoperative hearing loss and imbalance were seen in 70.5 and 64.7%, respectively. Suspicious intraoperative findings included: facial nerve incorporated intimately with the tumor capsule in 12 cases; spontaneous action potentials noted while drilling the bony IAC in 3 cases; and action potentials noted on stimulation of the entire tumor capsule in 10 cases. The mean long-term facial function was House–Brackmann grade II and the mean length of follow-up was 4.86 years.

Conclusion FNSs are rare and may be difficult to distinguish from VS preoperatively. Surgical findings that should raise concern include spontaneous action potentials during drilling the bony IAC, absence of a plane of dissection between the facial nerve and tumor, or stimulation of the tumor capsule.
Rapid optical determination of topological insulator nanoplate thickness and oxidation
Authors: Yang Fan , Sendova Mariana , Jacobs-Gedrim Robin B. , Song Eui Sang , Green Avery , Thiesen Peter , Diebold Alain , Yu Bin
Published: January 2017

The stability of 2D antimony telluride (Sb2Te3) nanoplates in ambient conditions is elucidated. These materials exhibit an anisotropic oxidation mode, and CVD synthesized samples oxidize at a much faster rate than exfoliated samples investigated in previous studies. Optical measurement techniques are introduced to rapidly measure the oxidation modes and thickness of 2D materials. Auger characterization were conducted to confirm that oxygen replaces tellurium as opposed to antimony under ambient conditions. No surface morphology evolution was detected in AFM before and after exposure to air. These techniques were employed to determine the origin of the thickness dependent color change effect in Sb2Te3. It is concluded that this effect is a combination of refractive index change due to oxidation and Fresnel effects.
AGT and the Segal-Sugawara construction
Authors: Carlsson Erik
Published: January 2017

The conjectures of Alday et al. [Lett. Math. Phys. 91, 167–197 (2010)] and their generalizations have been mathematically formulated as the existence of an action of a W-algebra on the cohomology or K-theory of the instanton moduli space, together with a Whitaker vector [A. Braverman et al., e-print arXiv:1406.2381 (2014); D. Maulik and A. Okounkov, e-print arXiv:1211.1287 (2012), pp. 1–276; O. Schiffmann and E. Vasserot, Publ. Math. Inst. Hautes Etud. Sci. 118, 213–342 (2013)]. However, the original conjectures also predict intertwining properties with the natural higher rank version of the “Ext1 operator” which was previously studied by Okounkov and the author in Carlsson and Okounkov [Duke Math. J. 161, 1797–1815 (2012)], a result which is now sometimes referred to as AGT in rank one [A. Alba et al., Lett. Math. Phys. 98, 33–64 (2011); M. Pedrini et al., J. Geom. Phys. 103, 43–89 (2016)]. Physically, this corresponds to incorporating matter in the Nekrasov partition functions, an obviously important feature in the physical theory. It is therefore of interest to study how the Ext1 operator relates to the aforementioned structures on cohomology in higher rank, and if possible to find a formulation from which the AGT conjectures follow as a corollary. In this paper, we carry out something analogous using a modified Segal-Sugawara construction for the slˆ2C structure that appears in Nekrasov and Okounkov [Prog. Math. 244, 525–596 (2006)] for general rank. This immediately implies the AGT identities when the central charge is one, a case which is of particular interest for string theorists, and because of the natural appearance of the Seiberg-Witten curve in this setup, see, for instance, Dijkgraaf and Vafa [e-print arXiv:0909.2453 (2009).] as well as Iqbal et al. [J. High Energy Phys. 2009, 69].
Finite-size scaling study of dynamic critical phenomena in a vapor-liquid transition
Authors: Midya Jiarul , Das Subir K.
Published: January 2017

Via a combination of molecular dynamics (MD) simulations and finite-size scaling (FSS) analysis, we study dynamic critical phenomena for the vapor-liquid transition in a three dimensional Lennard-Jones system. The phase behavior of the model has been obtained via the Monte Carlo simulations. The transport properties, viz., the bulk viscosity and the thermal conductivity, are calculated via the Green-Kubo relations, by taking inputs from the MD simulations in the microcanonical ensemble. The critical singularities of these quantities are estimated via the FSS method. The results thus obtained are in nice agreement with the predictions of the dynamic renormalization group and mode-coupling theories.
Microwave irradiation affects ion pairing in aqueous solutions of alkali halide salts
Authors: Mohorič Tomaž , Bren Urban
Published: January 2017

Using the molecular dynamics simulations with separate thermostats for translational and rotational degrees of freedom, we investigate the effects of water’s rotational motion on the ion pairing of ionic solutes in aqueous solutions. The situation with rotational temperature higher than the translational one, Trot>Ttrs, is mimicking the non-equilibrium effects of microwaves on model solutions of alkali halide salts. The simulations reveal that an increase in the rotational temperature at constant translational temperature exerts significant changes in the structure of the solution. The latter are reflected in increased pairing of the oppositely charged ions, which can be explained by the weaker ability of rotationally excited water to screen and separate the opposite charges. It seems that Collins’ law of matching water affinities retains its validity also in the non-equilibrium situation where the rotational temperature exceeds the translational one. On the other hand, the equilibrium effect (i.e., an increase in the solution’s overall temperature T≡Trot = Ttrs) favors the formation of small–small (NaCl), while it has a little effect on large–large (CsI) ion pairs. This is in accordance with water becoming less polar solvent upon a temperature increase. Furthermore, we investigated the effects of excited translational motion of water (and ions) on the ion pairing by increasing the translational temperature, while keeping the rotational one unchanged (i.e., Ttrs>Trot). Interestingly, in certain cases the faster translational motion causes an increase in correlations. The temperature variations in the like–ion association constants, Kas++ and Kas−−, are also examined. Here the situation is more complex but, in most cases, a decrease in the ion pairing is observed.
Perfect embezzlement of entanglement
Authors: Cleve Richard , Liu Li , Paulsen Vern I.
Published: January 2017

Van Dam and Hayden introduced a concept commonly referred to as embezzlement, where, for any entangled quantum state ϕ, there is an entangled catalyst state ψ, from which a high fidelity approximation of ϕ ⊗ ψ can be produced using only local operations. We investigate a version of this where the embezzlement is perfect (i.e., the fidelity is 1). We prove that perfect embezzlement is impossible in a tensor product framework, even with infinite-dimensional Hilbert spaces and infinite entanglement entropy. Then we prove that perfect embezzlement is possible in a commuting operator framework. We prove this using the theory of C*-algebras and we also provide an explicit construction. Next, we apply our results to analyze perfect versions of a nonlocal game introduced by Regev and Vidick. Finally, we analyze the structure of perfect embezzlement protocols in the commuting operator model, showing that they require infinite-dimensional Hilbert spaces.
Developing a new optimization framework for power generation expansion planning with the inclusion of renewable energy—A case study of Iran
Authors: Noorollahi Ehsan , Fadai Dawud , Ghodsipour Seyed Hassan , Shirazi Mohsen Akbarpour
Published: January 2017

The current paper proposes a new hybrid framework to consider the tangible and intangible factors besides the conventional power generation expansion planning problem. It aims at approximating the results to the real world and determining the long term electricity generation expansion plan of Iran from 2016–2035. In addition, it focuses on promoting the shares of renewable energy resources by utilizing the sustainable development approach. The proposed framework includes two stages. In the first stage, the detailed evaluation of technologies is carried out using a hybrid fuzzy analytic network process and benefits, opportunities and risks analysis. In the second stage, a multi-objective model is developed for the optimization of a generation expansion plan. Two objective functions are considered in the model: maximizing the total preference weight of the plan and minimizing the total costs, which includes investment, operation and maintenance, generation, emission, and unmet demands costs. The applicability and efficiency of the proposed framework are surveyed by applying it for Iran's power industry. The mathematical model is solved using the NSGA-II algorithm and sensitivity analysis is performed for the key parameters. The results show the increasing shares of renewable resources in the planning horizon. Furthermore, it shows that the fossil power plants would play a significant role in the future of Iran's electricity supply. The natural gas combined cycle power plants would be the most preferred alternative among the fossil power plants and would have the most installed capacity share during the planning horizon.
Image contrast mechanisms in dynamic friction force microscopy: Antimony particles on graphite
Authors: Mertens Felix , Göddenhenrich Thomas , Dietzel Dirk , Schirmeisen Andre
Published: January 2017

Dynamic Friction Force Microscopy (DFFM) is a technique based on Atomic Force Microscopy (AFM) where resonance oscillations of the cantilever are excited by lateral actuation of the sample. During this process, the AFM tip in contact with the sample undergoes a complex movement which consists of alternating periods of sticking and sliding. Therefore, DFFM can give access to dynamic transition effects in friction that are not accessible by alternative techniques. Using antimony nanoparticles on graphite as a model system, we analyzed how combined influences of friction and topography can effect different experimental configurations of DFFM. Based on the experimental results, for example, contrast inversion between fractional resonance and band excitation imaging strategies to extract reliable tribological information from DFFM images are devised.
Photoconduction properties and anomalous power-dependent quantum efficiency in non-polar ZnO epitaxial films grown by chemical vapor deposition
Authors: Lin C. H. , Chen R. S. , Lin Y. K. , Wang S. B. , Chen L. C. , Chen K. H. , Wen M. C. , Chou M. M. C. , Chang L.
Published: January 2017

Photoconduction (PC) properties in the ZnO films with the (110) nonpolar surface (a-plane) epitaxially grown by chemical vapor deposition on the LiGaO2 (010) substrates with low lattice mismatches (4.0% along the c-axis and 3.8% along the m-axis) have been studied. The structural and optical qualities of the epitaxial films have been characterized using theta-two theta and phi scans, X-ray diffraction, rocking curve, and photoluminescence measurements. The nonpolar ZnO film exhibits a near visible-blind ultraviolet photoresponse. The optimal photocurrent to dark current ratio (i.e., sensitivity) can reach 13360%. The responsivity of the a-plane ZnO photoconductor-type detector can also reach 17 AW−1, which is two to four orders of magnitude higher than those of the m-plane, a-plane, and r-plane photodiodes based on ZnO/ZnMgO quantum wells. The normalized gain at 2.9 cm2V−1 of the nonpolar film is also comparable with the optimal recorded value of the ZnO nanowires. In addition, the PC mechanism has also been investigated by the power-dependent and time-resolved photoconductivity measurements. The power-sensitive responsivity can be attributed to the effect of light intensity on carrier lifetime and quantum efficiency. The photovoltaic effect of the surface depletion region is inferred to be the reason resulting in the anomalous power-dependent quantum efficiency.
Perspective: On the active site model in computational catalyst
screening
Authors: Reuter Karsten , Plaisance Craig P. , Oberhofer Harald , Andersen Mie
Published: January 2017

First-principles screening approaches exploiting energy trends in surface adsorption represent an unparalleled success story in recent computational catalysis research. Here we argue that our still limited understanding of the structure of active sites is one of the major bottlenecks towards an ever extended and reliable use of such computational screening for catalyst discovery. For low-index transition metal surfaces, the prevalently chosen high-symmetry (terrace and step) sites offered by the nominal bulk-truncated crystal lattice might be justified. For more complex surfaces and composite catalyst materials, computational screening studies will need to actively embrace a considerable uncertainty with respect to what truly are the active sites. By systematically exploring the space of possible active site motifs, such studies might eventually contribute towards a targeted design of optimized sites in future catalysts.
Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum
Authors: Yin Qing , Wang Zhiqiang , Mishra Rajiv , Xia Zhenhai
Published: January 2017

The structures and behaviors of grain boundaries (GBs) have profound effects on the mechanical properties of polycrystalline materials. In this paper, twist GBs in aluminum were investigated with molecular dynamic simulations to reveal their atomic structures, energy and interactions with dislocations. One hundred twenty-six twist GBs were studied, and the energy of all these twist GBs were calculated. The result indicates that <001> and <111> twist GBs have lower energy than <101> twist GBs because of their higher interplanar spacing. In addition, 12 types of <001> twist GBs in aluminum were chosen to explore the deformation behaviors. Low angle twist GBs with high density of network structures can resist greater tension because mutually hindering behaviors between partial dislocations increase the twist GB strength.
Current-induced multiple domain wall motion modulated by magnetic pinning in zigzag shaped nanowires
Authors: Zhou Xiaochao , Huang Zhaocong , Zhang Wen , Yin Yuli , Dürrenfeld Philipp , Dong Shuai , Zhai Ya
Published: January 2017

Using micromagnetic simulation, we investigate the current-induced multiple domain wall motion (CIDWM) in zigzag nanowires with different bar angles (θ=90°, 120° and 150°). Two dynamic processes of single DWM and double DWM are found in different regimes of current density identified by two thresholds in all zigzag nanowires. The decreasing threshold current is found in the zigzag nanowires with increased bar angles, indicating the angular-dependence of the magnetic pinning. This work suggests a possibility of manipulating the single/multiple DWM in future DW devices by introducing the shape anisotropy.
Origin of multistate resistive switching in Ti/manganite/SiOx/Si heterostructures
Authors: Román Acevedo W. , Acha C. , Sánchez M. J. , Levy P. , Rubi D.
Published: January 2017

We report on the growth and characterization of Ti/La1/3Ca3/2MnO3/SiO2/n-Si memristive devices. We demonstrate that using current as electrical stimulus unveils an intermediate resistance state, in addition to the usual high and low resistance states that are observed in the standard voltage controlled experiments. Based on thorough electrical characterization (impedance spectroscopy, current-voltage curves analysis), we disclose the contribution of three different microscopic regions of the device to the transport properties: an ohmic incomplete metallic filament, a thin manganite layer below the filament tip exhibiting Poole-Frenkel like conduction, and the SiOx layer with an electrical response well characterized by a Child-Langmuir law. Our results suggest that the existence of the SiOx layer plays a key role in the stabilization of the intermediate resistance level, indicating that the combination of two or more active resistive switching oxides adds functionalities in relation to the single-oxide devices. We understand that these multilevel devices are interesting and promising, as their fabrication procedure is rather simple and they are fully compatible with the standard Si-based electronics.
Suppressing excitation effects in microwave induced thermoacoustic tomography by multi-view Hilbert transformation
Authors: He Yu , Shen Yuecheng , Liu Changjun , Wang Lihong V.
Published: January 2017

Microwave induced thermoacoustic tomography (TAT) images usually suffer from distortions arising from the microwave polarization effect and standing wave effect. The microwave polarization effect, resulting from linearly polarized microwave illumination, splits the image of the object along the polarization direction, while the standing wave effect, when the object size is larger than the microwave wavelength within the object, modulates the image of the object. Both effects cause non-uniform energy distribution in a uniformly absorbing object and create artifacts in the reconstructed images. To address these problems in TAT, we propose an image reconstruction method that combines multi-view Hilbert transformation with the back-projection algorithm. We experimentally validate this method by imaging breast and brain tumor phantoms, showing that the aforementioned distortions are significantly suppressed. We anticipate that this method will contribute to clinical tumor diagnosis.
Quasi-free-standing bilayer graphene nanoribbons probed by electronic transport
Authors: Miccoli Ilio , Aprojanz Johannes , Baringhaus Jens , Lichtenstein Timo , Galves Lauren A. , Lopes Joao Marcelo J. , Tegenkamp Christoph
Published: January 2017

Direct growth of graphene nanostructures by using concepts of self-assembly and intercalation without further lithography and transfer processes is beneficial for their integration into device applications. In this letter, we report on bilayer graphene nanoribbons, typically 100 nm in width, grown along step edges of SiC(0001) substrates. The ribbons are electrically decoupled from the substrate by an oxygen treatment. By means of a 4-tip STM system, the microscopic structure and transport properties were comprehensively studied. The ribbons reveal a robust hole concentration of around 1 × 1013 cm–2 and mobilities up to 700 cm2/Vs at room temperature. The comparably high mobilities are a consequence of interlayer hopping of the charge carriers. The transport is not limited by the step roughness; thus, this scalable process can be easily extended to arbitrarily shaped structures.
A magnetic probe equipped with small-tip permanent magnet for sentinel lymph node biopsy
Authors: Kaneko Miki , Ohashi Kaichi , Chikaki Shinichi , Kuwahata Akihiro , Shiozawa Mikio , Kusakabe Moriaki , Sekino Masaki
Published: January 2017

We previously developed a magnetic probe equipped with a ring-shaped permanent magnet for detecting magnetic nanoparticle tracer accumulating in the sentinel lymph nodes (SLNs). The magnetic probe enables us to identify SLNs objectively, without the risk of radiation exposure, unlike the conventional technique using dye and radioisotope. A technical challenge of the probe is to reduce the tip diameter of magnet to identify smaller SLNs. In this study, we optimized the size of smaller-tip magnet based on numerical analyses using the finite element method and evaluated the expected sensitivity. According to the analysis results, the optimum tip diameter and length of convex-shaped magnet were 16 mm and 12 mm, respectively. The experimental results showed that the sensitivity of the probe with smaller-tip magnet was comparable to the previous one. We successfully developed a smaller tip magnet, maintaining the sensitivity to magnetic nanoparticles. The proposed probe will be capable of identifying the location of SLNs more easily.
Eddy current loss analysis of open-slot fault-tolerant permanent-magnet machines based on conformal mapping method
Authors: Ji Jinghua , Luo Jianhua , Lei Qian , Bian Fangfang
Published: January 2017

This paper proposed an analytical method, based on conformal mapping (CM) method, for the accurate evaluation of magnetic field and eddy current (EC) loss in fault-tolerant permanent-magnet (FTPM) machines. The aim of modulation function, applied in CM method, is to change the open-slot structure into fully closed-slot structure, whose air-gap flux density is easy to calculate analytically. Therefore, with the help of Matlab Schwarz-Christoffel (SC) Toolbox, both the magnetic flux density and EC density of FTPM machine are obtained accurately. Finally, time-stepped transient finite-element method (FEM) is used to verify the theoretical analysis, showing that the proposed method is able to predict the magnetic flux density and EC loss precisely.
Mechanical-magnetic-electric coupled behaviors for stress-driven Terfenol-D energy harvester
Authors: Cao Shuying , Zheng Jiaju , Wang Bowen , Pan Ruzheng , Zhao Ran , Weng Ling , Sun Ying , Liu Chengcheng
Published: January 2017

The stress-driven Terfernol-D energy harvester exhibits the nonlinear mechanical-magnetic-electric coupled (MMEC) behaviors and the eddy current effects. To analyze and design the device, it is necessary to establish an accurate model of the device. Based on the effective magnetic field expression, the constitutive equations with eddy currents and variable coefficients, and the dynamic equations, a nonlinear dynamic MMEC model for the device is founded. Comparisons between the measured and calculated results show that the model can describe the nonlinear coupled curves of magnetization versus stress and strain versus stress under different bias fields, and can provide the reasonable data trends of piezomagnetic coefficients, Young’s modulus and relative permeability for Terfenol-D. Moreover, the calculated power results show that the model can determine the optimal bias conditions, optimal resistance, suitable proof mass, suitable slices for the maximum energy extraction of the device under broad stress amplitude and broad frequency.
Continuous sheathless microparticle and cell patterning using CL-SSAWs (conductive liquid-based standing surface acoustic waves)
Authors: Nam Jeonghun , Kim Jae Young , Lim Chae Seung
Published: January 2017

We present continuous, sheathless microparticle patterning using conductive liquid (CL)-based standing surface acoustic waves (SSAWs). Conventional metal electrodes patterned on a piezoelectric substrate were replaced with electrode channels filled with a CL. The device performance was evaluated with 5-μm fluorescent polystyrene particles at different flow rate and via phase shifting. In addition, our device was further applied to continuous concentration of malaria parasites at the sidewalls of the fluidic channel.
Magnetic properties of Ni films deposited on MBE grown Bi2Se3 layers
Authors: Yoo Taehee , Nasir Alviu Rey , Bac Seul-Ki , Lee Sangyeop , Choi Seonghoon , Lee Sanghoon , Liu X. , Furdyna J. K.
Published: January 2017

We have investigated the magnetic properties of the Ni films deposited on a GaAs and a Bi2Se3 buffer grown by molecular beam epitaxy on a GaAs (001) substrate. The magnetization measurements at 4 K revealed that the coercivity of the Ni films decreases monotonically with increasing thickness up to 25 nm in both cases. However, the coercivity measured at 4 K was always larger in the Ni film deposited on the surface of Bi2Se3 than in the film deposited on the GaAs. Such enhancement of the coercivity decreases with increasing temperature and film thickness. This suggests that the Bi2Se3 surface alters the magnetic properties of the Ni film. The increase of the coercivity was more serious in an un-capped Ni/Bi2Se3 sample, which showed an exchange bias effect due to the oxidation of the top surface of the Ni film. These observations are important for the investigation of spin dependent phenomena in magnetic systems involving a ferromagnet/topological insulator interface.
Atomistic simulation of heat-assisted linear reversal mode in nanodots with perpendicular anisotropy
Authors: Wang Y. , Tanaka T. , Matsuyama K.
Published: January 2017

The spin dynamics of nanodots in the thermally induced linear reversal mode have been studied by atomistic simulation. A systematic investigation was conducted of the dependence of the properties of heat-assisted magnetization reversal on the thermal pulse width and the elevated peak temperature. An order-of-magnitude decrease in the reversal field was demonstrated for a sub-nanosecond thermal-pulse width and a peak temperature just above the Curie point. The required reversal field was found to increase with atomic uniaxial anisotropy even in the non-equilibrium field cooling process.
The impact of a shaded pre-milking yard on a pasture-based automatic milking system
Authors: Wildridge Ashleigh M. , Garcia Sergio C. , Thomson Peter C. , Jongman Ellen C. , Clark Cameron E.F. , Kerrisk Kendra L.
Published: January 2017

During hot weather cows typically reduce feed intake and actively seek shade and water to reduce the metabolic stress on their bodies. This can have a negative impact on the occurrence of voluntary milking visits to an automatic milking system (AMS) operating with voluntary traffic, thus reducing milking frequency. Shade is known to be effective in alleviating heat stress in dairy cattle; however, the impact of providing shade at the milking facility of a pasture-based AMS on time taken to voluntarily enter a milking unit is unknown. A herd of ~300 lactating cows milked in a pasture-based AMS were divided into two groups during the summer of 2016. Each group spent 4 weeks in a SHADE (predominately shaded pre-milking yard) and a NO-SHADE (predominantly non-shaded pre-milking yard) treatment, with two periods in a crossover design. Cow respiration rates, time spent in pre- and post-milking areas, concentrate consumption and milk yield were recorded. On average, cows in the SHADE treatment were found to take longer to enter the milking unit than did cows in the NO-SHADE treatment (SHADE = 11.40 min, NO-SHADE = 8.70 min, P < 0.001). SHADE was also associated with lower average respiration rates (SHADE = 68 breaths per minute (bpm), NO-SHADE = 73 bpm, P < 0.001), increased concentrate consumption (SHADE = 6.50 kg/cow.day, NO-SHADE = 6.39 kg/cow.day, P = 0.03) and increased milk yield (SHADE = 11.44 kg/cow.milking, NO-SHADE = 10.95 kg/cow.milking, P < 0.001). Overall, SHADE made available to the cows pre-milking appeared to improve cow performance and comfort (as indicated by reduced respiration rates).
Prediction of soil properties by using geographically weighted regression at a regional scale
Authors: Tan Xing , Guo Peng-Tao , Wu Wei , Li Mao-Fen , Liu Hong-Bin
Published: January 2017

Detailed information about spatial distribution of soil properties is important in ecological modelling, environmental prediction, precision agriculture, and natural resources management, as well as land-use planning. In the present study, a recently developed method called geographically weighted regression (GWR) is applied to predict spatial distribution of soil properties (pH, soil organic matter, available nitrogen, available potassium) based on topographical indicators, climate factors, and geological stratum at a regional scale. In total, 1914 soil samples collected from a depth of 0–20cm were used to calibrate and validate the models. Performances of the GWR models were compared with the traditional, ordinary least-squares (OLS) regression. The results indicated that the GWR models made significant improvements to model performances over OLS regression, based on F-test, coefficient of determination, and corrected Akaike information criterion. GWR models also improved the reliability of the soil–environment relationships by reducing the spatial autocorrelations in model residuals. Meanwhile, the use of GWR models disclosed that the relationships between soil properties and environmental variables were not invariant over space but exhibited significant spatial non-stationarity. Accordingly, the GWR models remarkably improved the prediction accuracies over the corresponding OLS models. The results demonstrated that GWR could serve as a useful tool for digital soil mapping in areas with complex terrain.
Troping on prejudice
Authors: Lehtonen Heini
Published: January 2017

This paper studies reflexivity in interaction among adolescents in Helsinki in the light of stylised performances that are labelled
by participants as “bad Finnish”. Stylised “bad Finnish” can be seen as an enregistered discourse register. It is
an emblem in which certain linguistic features are connected to ideas about certain kinds of people and their characteristics. In
particular, stylised “bad Finnish” is an indexical for social personae associated with “immigrants”, “foreigners”
and non-native Finnish. The participants in this study came to Finland as children and learned Finnish as a second (or third or
fourth) language, and they still have to face the excluding attitudes of the society. With their stylised performances and in
their reactions to them, the participants position themselves with regard to the social personae indexed by stylised “bad
Finnish”, their stereotypical characteristics and the wider societal discourses that touch upon themselves.
Stylised “bad Finnish” is sometimes used for expressing distance from stereotypical immigrants, but sometimes
for displaying solidarity with those who share the experiences of immigration and learning Finnish. Although it also works as a
trope, seemingly detached from ethnicity, in interaction with native Finns it may still be delicate because of its pejorative
social indexical potential.
Reflexive language and ethnic minority activism in Hong Kong
Authors: Pérez-Milans Miguel , Soto Carlos
Published: January 2017

This article engages with Archer’s call to further research on reflexivity and social change under conditions of late modernity (2007,
2010, 2012) from the perspective of existing work on reflexive discourse in the language disciplines (Silverstein 1976, Lucy 1993). Drawing
from a linguistic ethnography of the networked trajectories of a group of working-class South Asian youth in Hong Kong (Pérez-Milans &
Soto 2014), we analyze the trajectory of Sita, a Hong Kong-born young female with Nepali background. In her trajectory, performative acts of
ethnic minority-based activism emerge as key in the enactment of a given set of values, stances, types of persona and situated forms of
alignment/disalignment. That is to say, Sita’s enactment of activism is seen in this article as tied to a discourse register (Agha
2007: 147). As such, ‘talking/doing activism’ is inter-textually linked to a speech chain network of a group of secondary school students,
teachers, researchers and community-based minority activists engaged with Sita in various interrelated projects for social empowerment.
Analysis of interview transcripts, online chats and multimodal artifacts shows the extent to which the coordinated formation of this
discourse register proved useful in providing Sita with relevant cultural capital (Bourdieu 1986) with which she shaped her own academic
trajectory, from a low-prestige government-subsidized secondary school to an elite international college. Data also point towards the need
for further engagement with recent invitations to re-imagining identity and social action under current conditions of diversification
(Blommaert 2013).