bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantitative scoring of differential drug sensitivity for individually optimized anticancer therapies
Authors: Yadav Bhagwan , Pemovska Tea , Szwajda Agnieszka , Kulesskiy Evgeny , Kontro Mika , Karjalainen Riikka , Majumder Muntasir Mamun , Malani Disha , Murumägi Astrid , Knowles Jonathan , Porkka Kimmo , Heckman Caroline , Kallioniemi Olli , Wennerberg Krister , Aittokallio Tero
Published: June 2014

We developed a systematic algorithmic solution for quantitative drug sensitivity scoring (DSS), based on continuous modeling and integration of multiple dose-response relationships in high-throughput compound testing studies. Mathematical model estimation and continuous interpolation makes the scoring approach robust against sources of technical variability and widely applicable to various experimental settings, both in cancer cell line models and primary patient-derived cells. Here, we demonstrate its improved performance over other response parameters especially in a leukemia patient case study, where differential DSS between patient and control cells enabled identification of both cancer-selective drugs and drug-sensitive patient sub-groups, as well as dynamic monitoring of the response patterns and oncogenic driver signals during cancer progression and relapse in individual patient cells ex vivo. An open-source and easily extendable implementation of the DSS calculation is made freely available to support its tailored application to translating drug sensitivity testing results into clinically actionable treatment options.
The binder effect on an oxide-based anode in lithium and sodium-ion battery applications: the fastest way to ultrahigh performance
Authors: Ming Jun , Ming Hai , Kwak Won-Jin , Shin Changdae , Zheng Junwei , Sun Yang-Kook
Published: June 2014

A positive effect of the polyacrylic acid–carboxymethyl cellulose binder to enhance the performance of an oxide-based anode was reported in batteries.
Nanostructured electrochromic smart windows: traditional materials and NIR-selective plasmonic nanocrystals
Authors: Runnerstrom Evan L. , Llordés Anna , Lounis Sebastien D. , Milliron Delia J.
Published: June 2014

Electrochromic devices based on plasmon resonances in colloidal nanocrystals represent an important step towards realizing smart windows with ideal performance.
Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence
Authors: Cipressi Jacqueline , Brown Seth N.
Published: June 2014

Ruthenium and osmium bis(amidodiphenoxides) distort towards trigonal prismatic geometries to minimize aryloxide-to-metal π* interactions, limited by increasing degree of oxidation of the redox-active ligand.
Synthesis and spectroscopic properties of chiral binaphthyl-linked subphthalocyanines
Authors: Zhao Luyang , Wang Kang , Furuyama Taniyuki , Jiang Jianzhuang , Kobayashi Nagao
Published: June 2014

Chiral binaphthyl-linked subphthalocyanines (SubPcs) have been prepared and characterized by various spectroscopies.
A novel flavin derivative reveals the impact of glucose on oxidative stress in adipocytes
Authors: Yeow Jonathan , Kaur Amandeep , Anscomb Matthew D. , New Elizabeth J.
Published: June 2014

A fluorescent sensor for redox state shows reversible oxidation/reduction at biologically-relevant potentials, and is used to visualise cellular oxidative capacity.
Native chemical ubiquitination using a genetically incorporated azidonorleucine
Authors: Yang Renliang , Bi Xiaobao , Li Fupeng , Cao Yuan , Liu Chuan-Fa
Published: June 2014

A genetically incorporated azidonorleucine serves as a lysine precursor for site-selective ubiquitination of a recombinant protein through an auxiliary group.
Preparation and characterisation of high-density ionic liquids incorporating halobismuthate anions
Authors: Cousens Nico E. A. , Taylor Kearney Leah J. , Clough Matthew T. , Lovelock Kevin R. J. , Palgrave Robert G. , Perkin Susan
Published: June 2014

1-Butyl-3-methylimidazolium tetrahalobismuthates. Chlorobismuthates are colourless. Upon substitution of chloride for bromide or iodide the liquids become progressively more yellow or red.
Promising ZnO-based DSSC performance using HMP molecular dyes of high extinction coefficients
Authors: Ganesh T. , Nguyen Hong-Minh , Mane Rajaram S. , Kim Nakjoong , Shinde Dipak V. , Bhande Sambhaji S. , Naushad Mu. , Hui K. N. , Han Sung Hwan
Published: June 2014

Employing newly synthesized di-substituted tri-phenyl amine (HMP-9) and carbazole (HMP-11) dyes, a power conversion efficiency as high as 7.03% in ZnO nanocrystallite-based dye-sensitized solar cells under AM 1.5 G illumination is achieved.
Network pharmacology study on the mechanism of traditional Chinese medicine for upper respiratory tract infection
Authors: Zhang Xinzhuang , Gu Jiangyong , Cao Liang , Li Na , Ma Yiming , Su Zhenzhen , Ding Gang , Chen Lirong , Xu Xiaojie , Xiao Wei
Published: June 2014

The mechanism of RDN on URTIs is to inhibit virus–host interaction and to regulate signaling pathways by a combination of multi-target ingredients.
Strategies for desymmetrising trehalose to synthesise trehalose glycolipids
Authors: Wu Chia-Hui , Wang Cheng-Chung
Published: June 2014

The desymmetrisation and regioselective protection of trehalose are major challenges in the chemical synthesis of biologically essential trehalose glycolipids.
CuI-catalyzed cross-coupling of terminal alkynes with dialkoxycarbenes: a general method for the synthesis of unsymmetrical propargylic acetals
Authors: Xiao Tiebo , Zhang Ping , Xie Yang , Wang Jun , Zhou Lei
Published: June 2014

A general source of dialkoxycarbenes, 2,2-dialkoxy-5,5-dimethyl-Δ3-1,3,4-oxadiazolines, have been successfully employed as coupling partners in CuI-catalyzed cross-coupling reactions with terminal alkynes, which afforded various unsymmetrical propargylic acetals in good yields.
Solvent and catalyst free route to 3-indolyl glycoconjugates: synthesis of sugar tethered isoxazolines and isoxazoles from 3-indolyl nitroalkanes
Authors: Karthikeyan K. , Kumar R. Senthil , Dheenkumar P. , Perumal Paramasivan T.
Published: June 2014

An expedient, solvent and catalyst free strategy for the synthesis of sugar based bis(indolyl)methanes and indolyl nitroalkanes has been developed. Further, the nitroalkanes were converted to novel isoxazolines and isoxazoles by nitrile oxides cycloaddition.
Oxidant- and metal-free synthesis of 4(3H)-quinazolinones from 2-amino-N-methoxybenzamides and aldehydes via acid-promoted cyclocondensation and elimination
Authors: Cheng Ran , Tang Linlin , Guo Tianjian , Zhang-Negrerie Daisy , Du Yunfei , Zhao Kang
Published: June 2014

This paper presents a novel one-pot synthesis of biologically relevant 4(3H)-quinazolinones, in the absence of oxidants or heavy-metal catalysts.
Semi-crystalline block copolymer bicontinuous nanospheres for thermoresponsive controlled release
Authors: Holder Simon J. , Woodward Glen , McKenzie Beulah , Sommerdijk Nico A. J. M.
Published: June 2014

We demonstrate the controlled release of pyrene, as a model hydrophobic molecule, from self-assembled bicontinuous nanospheres formed from an amphiphilic block copolymer.
Inverse magnetorheological fluids
Authors: Rodríguez-Arco L. , López-López M. T. , Zubarev A. Y. , Gdula K. , Durán J. D. G.
Published: June 2014

We report a new kind of magnetic-field responsive fluid consisting of mixed suspensions of diamagnetic and ferromagnetic microparticles in ferrofluids.
Electrocatalytic properties of a vertically oriented graphene film and its application as a catalytic counter electrode for dye-sensitized solar cells
Authors: Pan Xuan , Zhu Kai , Ren Guofeng , Islam Nazifah , Warzywoda Juliusz , Fan Zhaoyang
Published: June 2014

Vertically oriented graphene exhibits meritorious electrocatalytic properties due to exposed graphene edges and other defects, even without any heteroatom functionalization.
Amine end-functionalized poly(2-ethyl-2-oxazoline) as promising coating material for antifouling applications
Authors: Tauhardt Lutz , Frant Marion , Pretzel David , Hartlieb Matthias , Bücher Christian , Hildebrand Gerhard , Schröter Bernd , Weber Christine , Kempe Kristian , Gottschaldt Michael , Liefeith Klaus , Schubert Ulrich S.
Published: June 2014

The antifouling properties against the simultaneous attack of five different bacteria and the stability of surface tethered poly(2-ethyl-2-oxazoline)s were investigated.
Supramolecular P4VP-pentadecylphenol naphthalenebisimide comb-polymer: mesoscopic organization and charge transport properties
Authors: Narayan Rekha , Kumar Prashant , Narayan K. S. , Asha S. K.
Published: June 2014

A supramolecular comb polymer complex of unsymmetric naphthalenebisimide with poly(4-vinyl pyridine) via hydrogen bonding – P4VP(PDP-UNBI)n – led to highly ordered layered assembly with improved nanoscale packing of the semiconductor moieties and improved electron mobilities.
Activatable triplet photosensitizers: magic bullets for targeted photodynamic therapy
Authors: Majumdar Poulomi , Nomula Raju , Zhao Jianzhang
Published: June 2014

The review summarizes methods to design tumor cells/tissue targeted photodynamic therapeutic compounds to produce cytotoxic singlet oxygen upon photoirradiation.
Selenoprotein S is involved in maintenance and transport of multiprotein complexes
Authors: Turanov Anton A. , Shchedrina Valentina A. , Everley Robert A. , Lobanov Alexei V. , Yim Sun Hee , Marino Stefano M. , Gygi Steven P. , Hatfield Dolph L. , Gladyshev Vadim N.
Published: June 2014

SelS (Selenoprotein S) is a selenocysteine-containing protein with roles in ER (endoplasmic reticulum) function and inflammation. It has been implicated in ERAD (ER-associated protein degradation), and clinical studies revealed an association of its promoter polymorphism with cytokine levels and human diseases. However, the pathways and interacting proteins that could shed light on pathogenesis of SelS-associated diseases have not been studied systematically. We performed a large-scale affinity isolation of human SelS and its mutant forms and analysed the proteins that interact with them. All previously known SelS targets and nearly two hundred additional proteins were identified that were remarkably enriched for various multiprotein complexes. Subsequent chemical cross-linking experiments identified the specific interacting sites in SelS and its several targets. Most of these interactions involved coiled-coil domains. The data suggest that SelS participates in intracellular membrane transport and maintenance of protein complexes by anchoring them to the ER membrane.
miR-21/DDAH1 pathway regulates pulmonary vascular responses to hypoxia
Authors: Iannone Lucio , Zhao Lan , Dubois Olivier , Duluc Lucie , Rhodes Christopher J. , Wharton John , Wilkins Martin R. , Leiper James , Wojciak-Stothard Beata
Published: June 2014

The NOS (nitric oxide synthase) inhibitor ADMA (asymmetric dimethylarginine) contributes to the pathogenesis of pulmonary hypertension. Reduced levels of the enzymes metabolizing ADMA, dimethylarginine dimethylaminohydrolases (DDAH1 and DDAH2) and increased levels of miR-21 are linked to disease pathology, but the mechanisms are not understood. In the present study we assessed the potential role of miR-21 in the regulation of hypoxia-induced changes in ADMA metabolism in vitro and in vivo. Hypoxia inhibited DDAH1 and DDAH2 expression and increased ADMA levels in cultured human pulmonary endothelial cells. In contrast, in human pulmonary smooth muscle cells, only DDAH2 was reduced whereas ADMA levels remained unchanged. Endothelium-specific down-regulation of DDAH1 by miR-21 in hypoxia induced endothelial dysfunction and was prevented by overexpression of DDAH1 and miR-21 blockade. DDAH1, but not DDAH2, mRNA levels were reduced, whereas miR-21 levels were elevated in lung tissues from patients with pulmonary arterial hypertension and mice with pulmonary hypertension exposed to 2 weeks of hypoxia. Hypoxic mice treated with miR-21 inhibitors and DDAH1 transgenic mice showed elevated lung DDAH1, increased cGMP levels and attenuated pulmonary hypertension. Regulation of DDAH1 by miR-21 plays a role in the development of hypoxia-induced pulmonary hypertension and may be of broader significance in pulmonary hypertension.
Curcumin exerts inhibitory effects on undifferentiated nasopharyngeal carcinoma by inhibiting the expression of miR-125a-5p
Authors: Gao Wei , Chan Jimmy Yu-Wai , Wong Thian-Sze
Published: June 2014

Curcumin suppresses proliferation, migration, invasion, metastasis and angiogenesis and induces apoptosis by regulating multiple signalling pathways and miRNAs in a wide variety of human malignancies. miRNAs play crucial roles in various steps of carcinogenesis in nasopharyngeal carcinoma (NPC); thus, they could serve as critical therapeutic targets for NPC treatment. Curcumin could provide a novel strategy to block or induce specific miRNAs for miRNA-based gene therapies. Nevertheless, there are no reports to date on the miRNAs regulated by curcumin in NPC. In the present study, we have carried out an miRNA microarray to identify the miRNAs regulated by curcumin in NPC. Curcumin treatment down-regulated the expression of hsa-miR-125a-5p, hsa-miR-574-3p and hsa-miR-210 as determined by miRNA microarray analysis and qPCR (real-time quantitative reverse transcription-PCR). Forced expression of miR-125a-5p enhanced proliferation, migration and invasion of HONE1 cells. Primary NPC exhibited a significantly higher expression level of miR-125a-5p than healthy controls. miR-125a-5p inhibited the expression of tumour protein 53 (TP53), and curcumin treatment up-regulated the expression of TP53. Taken together, these results indicate that curcumin exerted inhibitory effects on NPC by inhibiting the expression of miR-125a-5p and, subsequently, enhancing the expression of TP53. Curcumin could provide a novel strategy to block miR-125a-5p for miRNA-based gene therapies in NPC.
Inferior Alveolar Nerve Injuries Associated with Mandibular Fractures at Risk: A Two-Center Retrospective Study
Authors: Boffano Paolo , Roccia Fabio , Gallesio Cesare , Karagozoglu K. , Forouzanfar Tymour
Published: June 2014

The aim of the study was to investigate the incidence of the inferior alveolar nerve (IAN) injury in mandibular fractures. This study is based on two databases that have continuously recorded patients hospitalized with maxillofacial fractures in two departments—Department of Maxillofacial Surgery, Vrije Universiteit University Medical Center, Amsterdam, the Netherlands, and Division of Maxillofacial Surgery, San Giovanni Battista Hospital, Turin, Italy. Demographic, anatomic, and etiology variables were considered for each patient and statistically assessed in relation to the neurosensory IAN impairment. Statistically significant associations were found between IAN injury and fracture displacement ( p = 0.03), isolated mandibular fractures ( p = 0.01), and angle fractures ( p = 0.004). A statistically significant association was also found between IAN injury and assaults ( p = 0.03). Displaced isolated mandibular angle fractures could be considered at risk for increased incidence of IAN injury. Assaults seem to be the most important etiological factor that is responsible for IAN lesions.
Collisionless high energy particle losses in optimized stellarators calculated in real-space coordinates
Authors: Nemov V. V. , Kasilov S. V. , Kernbichler W.
Published: June 2014

An approach for the direct computation of collisionless losses of high energy charged particles is developed for stellarator magnetic fields given in real space coordinates. With this approach, the corresponding computations can be performed for magnetic fields with three-dimensional inhomogeneities in the presence of stochastic regions as well as magnetic islands. A code, which is based on this approach, is applied to various stellarator configurations. It is found that the life time of fast particles obtained in real-space coordinates can be smaller than that obtained in magnetic coordinates.
An investigation of the adiabatic potential surface in single crystals with copper ions
Authors: Shapovalov V. A. , Zhitlukhina E. S. , Lamonova K. V. , Orel S. M. , Barilo S. N. , Pashkevich Yu. G.
Published: June 2014

We performed a comprehensive study of the EPR spectra of Cu2+ ions embedded in single crystals of inverse spinel LiGa5O8 and zinc tungstate ZnWO4. The EPR spectra were interpreted using a modified crystal field theory. It was found that the adiabatic potential of a Cu2+ ion in LiGa5O8 exhibits multiple minima, whereas the adiabatic potential of a Cu2+ ion in ZnWO4 has a single minimum. It was shown that the presence of low-symmetry distortions leads to the suppression of frustration and, ultimately, as in ZnWO4, to the formation of a global minimum of the adiabatic potential.
Comment on “Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma” [Phys. Plasmas 20, 072703 (2013)]
Authors: Habibi M. , Ghamari F.
Published: June 2014

Patil and Takale in their recent article [Phys. Plasmas 20, 072703 (2013)], by evaluating the quantum dielectric response in thermal quantum plasma, have modeled the relativistic self-focusing of Gaussian laser beam in a plasma. We have found that there are some important shortcomings and fundamental mistakes in Patil and Takale [Phys. Plasmas 20, 072703 (2013)] that we give a brief description about them and refer readers to important misconception about the use of the Fermi temperature in quantum plasmas, appearing in Patil and Takale [Phys. Plasmas 20, 072703 (2013)].
Energy harvester array using piezoelectric circular diaphragm for broadband vibration
Authors: Xiao Zhao , Yang Tong qing , Dong Ying , Wang Xiu cai
Published: June 2014

A piezoelectric generator fabricated by multiple circular diaphragm piezoelectric harvesters array is provided to harvest power over a broad range of frequencies. Four harvesters with varies tip masses are incorporated on a board with an area of 98 × 98 mm2. In this case, four strong output power peaks are obtained over frequencies from 120 Hz to 225 Hz. With an optimum load resistance of 15 kΩ, the value of four output power peaks is, respectively, 5.14, 6.65, 9.7, and 10 mW for the generator under an acceleration of 9.8 m/s2. By choosing an appropriate combination of tip masses with piezoelectric elements in array, the frequency range of energy harvesting can be obviously widened to meet the broadband vibration.
Photolysis of CH3CHO at 248 nm: Evidence of triple fragmentation from primary quantum yield of CH3 and HCO radicals and H atoms
Authors: Morajkar Pranay , Bossolasco Adriana , Schoemaecker Coralie , Fittschen Christa
Published: June 2014

Radical quantum yields have been measured following the 248 nm photolysis of acetaldehyde, CH3CHO. HCO radical and H atom yields have been quantified by time resolved continuous wave Cavity Ring Down Spectroscopy in the near infrared following their conversion to HO2 radicals by reaction with O2. The CH3 radical yield has been determined using the same technique following their conversion into CH3O2. Absolute yields have been deduced for HCO radicals and H atoms through fitting of time resolved HO2 profiles, obtained under various O2 concentrations, to a complex model, while the CH3 yield has been determined relative to the CH3 yield from 248 nm photolysis of CH3I. Time resolved HO2 profiles under very low O2 concentrations suggest that another unknown HO2 forming reaction path exists in this reaction system besides the conversion of HCO radicals and H atoms by reaction with O2. HO2 profiles can be well reproduced under a large range of experimental conditions with the following quantum yields: CH3CHO + hν248nm → CH3CHO*, CH3CHO* → CH3 + HCO ϕ1a = 0.125 ± 0.03, CH3CHO* → CH3 + H + CO ϕ1e = 0.205 ± 0.04, CH3CHO*$\mathop{\hbox to 2pc{\rightarrowfill}}\limits^{o_{2}}$→o2CH3CO + HO2 ϕ1f = 0.07 ± 0.01. The CH3O2 quantum yield has been determined in separate experiments as $\phi_{{\rm CH}_{3}}$ϕ CH 3 = 0.33 ± 0.03 and is in excellent agreement with the CH3 yields derived from the HO2 measurements considering that the triple fragmentation (R1e) is an important reaction path in the 248 nm photolysis of CH3CHO. From arithmetic considerations taking into account the HO2 and CH3 measurements we deduce a remaining quantum yield for the molecular pathway: CH3CHO* → CH4 + CO ϕ1b = 0.6. All experiments can be consistently explained with absence of the formerly considered pathway: CH3CHO* → CH3CO + H ϕ1c = 0.
Percolative superconductivity in La2CuO4.06 by lattice granularity patterns with scanning micro x-ray absorption near edge structure
Authors: Poccia Nicola , Chorro Matthieu , Ricci Alessandro , Xu Wei , Marcelli Augusto , Campi Gaetano , Bianconi Antonio
Published: June 2014

The simplest cuprate superconductor La2CuO4+y with mobile oxygen interstitials exhibits a clear phase separation. It is known that oxygen interstitials enter into the rocksalt La2O2+y spacer layers forming oxygen interstitials rich puddles and poor puddles but only recently a bulk multiscale structural phase separation has been observed by using scanning micro X-ray diffraction. Here we get further information on their spatial distribution, using scanning La L3-edge micro X-ray absorption near edge structure. Percolating networks of oxygen rich puddles are observed in different micrometer size portions of the crystals. Moreover, the complex surface resistivity shows two jumps associated to the onset of intra-puddle and inter-puddles percolative superconductivity. The similarity of oxygen doped La2CuO4+y, with the well established phase separation in iron selenide superconductors is also discussed.
Collecting high-order interactions in an effective pairwise intermolecular potential using the hydrated ion concept: The hydration of Cf3+
Authors: Galbis Elsa , Hernández-Cobos Jorge , Pappalardo Rafael R. , Marcos Enrique Sánchez
Published: June 2014

This work proposes a new methodology to build interaction potentials between a highly charged metal cation and water molecules. These potentials, which can be used in classical computer simulations, have been fitted to reproduce quantum mechanical interaction energies (MP2 and BP86) for a wide range of [M(H2O)n]m+(H2O)ℓ clusters (n going from 6 to 10 and ℓ from 0 to 18). A flexible and polarizable water shell model (Mobile Charge Density of Harmonic Oscillator) has been coupled to the cation-water potential. The simultaneous consideration of poly-hydrated clusters and the polarizability of the interacting particles allows the inclusion of the most important many-body effects in the new polarizable potential. Applications have been centered on the californium, Cf(III) the heaviest actinoid experimentally studied in solution. Two different strategies to select a set of about 2000 structures which are used for the potential building were checked. Monte Carlo simulations of Cf(III)+500 H2O for three of the intermolecular potentials predict an aquaion structure with coordination number close to 8 and average \documentclass[12pt]{minimal}\begin{document}$R_{\textrm {Cf--O}}$\end{document}R Cf −−O in the range 2.43–2.48 Å, whereas the fourth one is closer to 9 with \documentclass[12pt]{minimal}\begin{document}$R_{\textrm {Cf--O}}$\end{document}R Cf −−O = 2.54 Å. Simulated EXAFS spectra derived from the structural Monte Carlo distribution compares fairly well with the available experimental spectrum for the simulations bearing 8 water molecules. An angular distribution similar to that of a square antiprism is found for the octa-coordination.
The density matrix functional approach to electron correlation: Dynamic and nondynamic correlation along the full dissociation coordinate
Authors: Mentel Ł. M. , van Meer R. , Gritsenko O. V. , Baerends E. J.
Published: June 2014

For chemistry an accurate description of bond weakening and breaking is vital. The great advantage of density matrix functionals, as opposed to density functionals, is their ability to describe such processes since they naturally cover both nondynamical and dynamical correlation. This is obvious in the Löwdin-Shull functional, the exact natural orbital functional for two-electron systems. We present in this paper extensions of this functional for the breaking of a single electron pair bond in N-electron molecules, using LiH, BeH+, and Li2 molecules as prototypes. Attention is given to the proper formulation of the functional in terms of not just J and K integrals but also the two-electron L integrals (K integrals with a different distribution of the complex conjugation of the orbitals), which is crucial for the calculation of response functions. Accurate energy curves are obtained with extended Löwdin-Shull functionals along the complete dissociation coordinate using full CI calculations as benchmark.
$\mathrm{O}_2(\mathrm{X}^3\Sigma ^{-}_g)$
O
2
(
X
3
Σ
g
−
)
and O2(a1Δg) charge exchange with simple ions
Authors: Ziółkowski Marcin , Schatz George C. , Viggiano A. A. , Midey Anthony , Dotan Itzhak
Published: June 2014

We present theory and experiments which describe charge transfer from the $\mathrm{X}^3\Sigma ^{-}_g$X3Σg− and a1Δg states of molecular oxygen and atomic and molecular cations. Included in this work are new experimental results for O2(a1Δg) and the cations O+, CO+, Ar+, and ${\rm N}_2^+$N2+, and new theory based on complete active space self-consistent field method calculations and an extended Langevin model to calculate rate constants for ground and excited O2 reacting with the atomic ions Ar+, Kr+, Xe+, Cl+, and Br+. The T-shaped orientation of the (X − O2)+ potential surface is used for the calculations, including all the low lying states up to the second singlet state of the oxygen molecule $b^1\Sigma ^+_g$b1Σg+. The calculated rate constants for both $\mathrm{O}_2(\mathrm{X}^3\Sigma ^{-}_g)$O2(X3Σg−) and O2(a1Δg) show consistent trends with the experimental results, with a significant dependence of rate constant on charge transfer exothermicity that does not depend strongly on the nature of the cation. The comparisons with theory show that partners with exothermicities of about 1 eV have stronger interactions with O2, leading to larger Langevin radii, and also that more of the electronic states are attractive rather than repulsive, leading to larger rate constants. Rate constants for charge transfer involving O2(a1Δg) are similar to those for $\mathrm{O}_2(\mathrm{X}^3\Sigma ^{-}_g)$O2(X3Σg−) for a given exothermicity ignoring the electronic excitation of the O2(a1Δg) state. This means (and the electronic structure calculations support) that the ground and excited states of O2 have about the same attractive interactions with ions.
An inkjet vision measurement technique for high-frequency jetting
Authors: Kwon Kye-Si , Jang Min-Hyuck , Park Ha Yeong , Ko Hyun-Seok
Published: June 2014

Inkjet technology has been used as manufacturing a tool for printed electronics. To increase the productivity, the jetting frequency needs to be increased. When using high-frequency jetting, the printed pattern quality could be non-uniform since the jetting performance characteristics including the jetting speed and droplet volume could vary significantly with increases in jet frequency. Therefore, high-frequency jetting behavior must be evaluated properly for improvement. However, it is difficult to measure high-frequency jetting behavior using previous vision analysis methods, because subsequent droplets are close or even merged. In this paper, we present vision measurement techniques to evaluate the drop formation of high-frequency jetting. The proposed method is based on tracking target droplets such that subsequent droplets can be excluded in the image analysis by focusing on the target droplet. Finally, a frequency sweeping method for jetting speed and droplet volume is presented to understand the overall jetting frequency effects on jetting performance.
A new version of the LUPIN detector: Improvements and latest experimental verification
Authors: Caresana M. , Cassell C. , Ferrarini M. , Hohmann E. , Manessi G. P. , Mayer S. , Silari M. , Varoli V.
Published: June 2014

LUPIN-II is an upgraded version of LUPIN, a novel rem counter first developed in 2010 specifically conceived to work in pulsed neutron fields (PNFs). The new version introduces some modifications that improve the performance of the detector, in particular extending its upper detection limit in PNFs. This paper discusses the characteristics and the performance of the instrument. Measurements have been carried out in radiation fields characterized by very different conditions: the detector has first been exposed in PNFs with intensity up to 5 μSv per burst, where it could keep the H*(10) underestimation below 20% up to 500 nSv per burst. It has then been tested in operational conditions around particle accelerators, where it has shown performances similar to that of ionization chambers. Its proper functioning has also been verified in high energy mixed fields, where the experimental results matched the Monte Carlo predictions. Its neutron/photon discrimination capability has been tested in a steady-state photon field where, via an innovative technique based on a threshold set on the derivative of the current signal, it was capable of rejecting a photon H*(10) rate of about 25 mSv/h, and in a mixed neutron/photon field, where a time-based discrimination method was employed.
Analytical Morse/long-Range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: A case study of CH3F–He
Authors: Ma Yong-Tao , Zeng Tao , Li Hui
Published: June 2014

Four-dimensional ab initio intermolecular potential energy surfaces (PESs) for CH3F–He that explicitly incorporates dependence on the Q3 stretching normal mode of the CH3F molecule and are parametrically dependent on the other averaged intramolecular coordinates have been calculated. Analytical three-dimensional PESs for v3(CH3F) = 0 and 1 are obtained by least-squares fitting the vibrationally averaged potentials to the Morse/Long-Range potential function form. With the 3D PESs, we employ Lanczos algorithm to calculate rovibrational levels of the dimer system. Following some re-assignments, the predicted transition frequencies are in good agreement with experimental microwave data for ortho-CH3F, with the root-mean-square deviation of 0.042 cm−1. We then provide the first prediction of the infrared and microwave spectra for the para-CH3F–He dimer. The calculated infrared band origin shifts associated with the ν3 fundamental of CH3F are 0.039 and 0.069 cm−1 for para-CH3F–He and ortho-CH3F–He, respectively.
Laser plasma cryogenic target on translating substrate for generation of continuously repetitive EUV and soft X-ray pulses
Authors: Amano Sho
Published: June 2014

To generate continuously repetitive EUV and soft X-ray pulses with various wavelengths from laser-produced plasmas, a one-dimensionally translating substrate system with a closed He gas cryostat that can continuously supply various cryogenic targets for ∼10 Hz laser pulses has been developed. The system was successfully operated at a lowest temperature of 15 K and at a maximum up-down speed of 12 mm/s. Solid Ar, Kr, and Xe layers were formed, and their growth rates and the laser crater sizes on them were studied. By optimization of the operational parameters in accordance with our design rule, it was shown that stable output power was achieved continuously from the plasma emission at frequencies of 1–10 Hz. The average soft X-ray and EUV powers obtained were 19 mW at 3.2 nm, 33 mW at 10.0 nm, and 66 mW at 10.8 nm, with 10% bandwidths, from the Ar, Kr, and Xe solid targets, respectively, with a laser power of 1 W. We will be able to achieve higher frequencies using a high beam quality laser that produces smaller craters, and can expect higher powers. Although only Ar, Kr, and Xe gases were tested in this study, the target system achieved a temperature of 15 K and can thus solidify almost all target gases, apart from H and He, and can continuously supply the solid target. The use of various target materials will enable expansion of the EUV and soft X-ray emission wavelength range.
On the oscillatory Marangoni instability in a thin film heated from below
Authors: Samoilova A. E. , Lobov N. I.
Published: June 2014

We consider the classical problem of the Marangoni instability in a liquid layer with a deformable free surface atop a substrate heated from below. The linear stability analysis is performed numerically in order to extend the recent asymptotic results [S. Shklyaev, M. Khenner, and A. A. Alabuzhev, “Oscillatory and monotonic modes of long-wave Marangoni convection in a thin film,” Phys. Rev. E 82, 025302 (2010)] to finite-wavenumber perturbations. In spite of detailed analyses by many researchers, we have obtained novel computational results confirming the existence of the oscillatory mode for heating from below. Moreover, numerical simulations indicate that the oscillatory mode is critical in a wider range of parameters, than it is predicted by the asymptotic analysis. Additionally, we provide guiding data for the experimental observation of the oscillatory regime.
Heteroepitaxial ZnO films on diamond: Optoelectronic properties and the role of interface polarity
Authors: Schuster Fabian , Hetzl Martin , Magén Cesar , Arbiol Jordi , Garrido Jose A. , Stutzmann Martin
Published: June 2014

We demonstrate the growth of heteroepitaxial ZnO films on (110) diamond substrates by molecular beam epitaxy and report on a major advance in structural quality, as confirmed by XRD and high-resolution TEM measurements. The growth direction is found to be along the polar c-axis with Zn-polarity, deduced from annular bright-field scanning transmission electron microscopy imaging. This is important information, as simulations of the electronic band structure reveal the ZnO polarity to dominate the electronic structure of the interface: the formation of a two-dimensional electron gas on the ZnO side or a two-dimensional hole gas on the diamond side are predicted for Zn- and O-polarity, respectively. In addition, photoluminescence and absorption studies exhibit good optical properties and reveal stimulated emission for optical excitation above a threshold of 30 kW/cm2.
Braid representations from unitary braided vector spaces
Authors: Galindo César , Rowell Eric C.
Published: June 2014

We investigate braid group representations associated with unitary braided vector spaces, focusing on a conjecture that such representations should have virtually abelian images in general and finite image provided the braiding has finite order. We verify this conjecture for the two infinite families of Gaussian and group-type braided vector spaces, as well as the generalization to quasi-braided vector spaces of group-type.
A compact neutron spectrometer for characterizing inertial confinement fusion implosions at OMEGA and the NIF
Authors: Zylstra A. B. , Gatu Johnson M. , Frenje J. A. , Séguin F. H. , Rinderknecht H. G. , Rosenberg M. J. , Sio H. W. , Li C. K. , Petrasso R. D. , McCluskey M. , Mastrosimone D. , Glebov V. Yu. , Forrest C. , Stoeckl C. , Sangster T. C.
Published: June 2014

A compact spectrometer for measurements of the primary deuterium-tritium neutron spectrum has been designed and implemented on the OMEGA laser facility [T. Boehly et al., Opt. Commun. 133, 495 (1997)]. This instrument uses the recoil spectrometry technique, where neutrons produced in an implosion elastically scatter protons in a plastic foil, which are subsequently detected by a proton spectrometer. This diagnostic is currently capable of measuring the yield to ∼±10% accuracy, and mean neutron energy to ∼±50 keV precision. As these compact spectrometers can be readily placed at several locations around an implosion, effects of residual fuel bulk flows during burn can be measured. Future improvements to reduce the neutron energy uncertainty to ±15−20 keV are discussed, which will enable measurements of fuel velocities to an accuracy of ∼±25−40 km/s.
Temperature dependence of Er3+ ionoluminescence and photoluminescence in Gd2O3:Bi nanopowder
Authors: Boruc Zuzanna , Gawlik Grzegorz , Fetliński Bartosz , Kaczkan Marcin , Malinowski Michał
Published: June 2014

Ionoluminescence (IL) and photoluminescence (PL) of trivalent erbium ions (Er3+) in Gd2O3 nanopowder host activated with Bi3+ ions has been studied in order to establish the link between changes in luminescent spectra and temperature of the sample material. IL measurements have been performed with H2+ 100 keV ion beam bombarding the target material for a few seconds, while PL spectra have been collected for temperatures ranging from 20 °C to 700 °C. The PL data was used as a reference in determining the temperature corresponding to IL spectra. The collected data enabled the definition of empirical formula based on the Boltzmann distribution, which allows the temperature to be determined with a maximum sensitivity of 9.7 × 10−3 °C−1. The analysis of the Er3+ energy level structure in terms of tendency of the system to stay in thermal equilibrium, explained different behaviors of the line intensities. This work led to the conclusion that temperature changes during ion excitation can be easily defined with separately collected PL spectra. The final result, which is empirical formula describing dependence of fluorescence intensity ratio on temperature, raises the idea of an application of method in temperature control, during processes like ion implantation and some nuclear applications.
Power enhancement of a μl-scale microbial fuel cells by surface roughness
Authors: Kim Jihoon , Hwan Ko Jin , Lee Jaehyun , Jun Kim Min , Byun Doyoung
Published: June 2014

In recent years, microbial fuel cells (MFCs) have gained much attention due to their potential to generate energy in a sustainable manner from living microorganisms. Research has shown that electrode design is a critical factor for MFCs power enhancement. In this study, we designed and fabricated MFCs energy-harvesting devices with living bacteria, and we investigated the effect of the surface roughness of the electrodes on power generation. In batch experiments of our MFCs, we found that the total power delivered could be enhanced using electrodes having rough surfaces with protruded micro-structures relative to that of electrodes with a flat surface. This was due to the delayed acidification resulting from the changes in bio-film formation between them.
Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO2 nanoparticles
Authors: Raubach Cristiane W. , Polastro Lisânias , Ferrer Mateus M. , Perrin Andre , Perrin Christiane , Albuquerque Anderson R. , Buzolin Prescila G. C. , Sambrano Julio R. , de Santana Yuri B. V. , Varela José A. , Longo Elson
Published: June 2014

Herein, we report a theoretical and experimental study on the photocatalytic activity of CeO2 ZnS, and ZnS decorated CeO2 nanoparticles prepared by a microwave-assisted solvothermal method. Theoretical models were established to analyze electron transitions primarily at the interface between CeO2 and ZnS. As observed, the particle morphology strongly influenced the photocatalytic degradation of organic dye Rhodamine B. A model was proposed to rationalize the photocatalytic behavior of the prepared decorated systems taking into account different extrinsic and intrinsic defect distributions, including order-disorder effects at interfacial and intra-facial regions, and vacancy concentration.
Ferroelectric tunnel junctions with multi-quantum well structures
Authors: Ma Zhijun , Zhang Tianjin , Liang Kun , Qi Yajun , Wang Duofa , Wang Jinzhao , Jiang Juan
Published: June 2014

Ferroelectric tunnel junctions (FTJs) with multi-quantum well structures are proposed and the tunneling electroresistance (TER) effect is investigated theoretically. Compared with conventional FTJs with monolayer ferroelectric barriers, FTJs with single-well structures provide TER ratio improvements of one order of magnitude, while FTJs with optimized multi-well structures can enhance this improvement by another order of magnitude. It is believed that the increased resonant tunneling strength combined with appropriate asymmetry in these FTJs contributes to the improvement. These studies may help to fabricate FTJs with large TER ratio experimentally and put them into practice.
Significant enhancement of thermoelectric properties and metallization of Al-doped Mg2Si under pressure
Authors: Morozova Natalia V. , Ovsyannikov Sergey V. , Korobeinikov Igor V. , Karkin Alexander E. , Takarabe Ken-ichi , Mori Yoshihisa , Nakamura Shigeyuki , Shchennikov Vladimir V.
Published: June 2014

We report results of investigations of electronic transport properties and lattice dynamics of Al-doped magnesium silicide (Mg2Si) thermoelectrics at ambient and high pressures to and beyond 15 GPa. High-quality samples of Mg2Si doped with 1 at. % of Al were prepared by spark plasma sintering technique. The samples were extensively examined at ambient pressure conditions by X-ray diffraction studies, Raman spectroscopy, electrical resistivity, magnetoresistance, Hall effect, thermoelectric power (Seebeck effect), and thermal conductivity. A Kondo-like feature in the electrical resistivity curves at low temperatures indicates a possible magnetism in the samples. The absolute values of the thermopower and electrical resistivity, and Raman spectra intensity of Mg2Si:Al dramatically diminished upon room-temperature compression. The calculated thermoelectric power factor of Mg2Si:Al raised with pressure to 2–3 GPa peaking in the maximum the values as high as about 8 × 10−3 W/(K2m) and then gradually decreased with further compression. Raman spectroscopy studies indicated the crossovers near ∼5–7 and ∼11–12 GPa that are likely related to phase transitions. The data gathered suggest that Mg2Si:Al is metallized under moderate pressures between ∼5 and 12 GPa.
Compact quad-band superconducting metamaterial filter based on split ring resonator
Authors: Liu Haiwen , Lei Jiuhuai , Zhan Xin , Guan Xuehui , JI Laiyun , Ma Zhewang
Published: June 2014

In this Letter, a multi-resonant split ring resonator (SRR) is proposed for multi-band application. Its equivalent circuit model and even/odd-mode analysis are investigated. To verify this design methodology, a quad-band high-temperature superconducting (HTS) metamaterial structure is designed and fabricated with a compact size of 11.1 mm × 14.95 mm (about 0.149 λg by 0.2 λg). The insertion losses at each passband are 0.13, 0.07, 0.135, and 0.2 dB, respectively. The temperature effects and power handling capability of the quad-band HTS filter are also studied and the results show that the device has both perfect quad-band bandpass performance (temperature < 77 K) and perfect bandstop performance (temperature > 100 K) for the multi-band communication and superconductor switch applications.
Multi-scale patterning of microparticles using a combination of surface acoustic waves and ultrasonic bulk waves
Authors: Zhang Jie , Meng Long , Cai Feiyan , Zheng Hairong , Courtney Charles R. P.
Published: June 2014

Standing surface acoustic waves (SAWs) and standing bulk waves (BWs) are combined to pattern two populations of particles with differing sizes. Patterns with large differences in wavelength in each direction and simultaneous generation of different patterns for each population are demonstrated. Particles are trapped at nodal positions of orthogonal standing wave fields in patterns determined by device voltage amplitudes and frequencies. 10-μm beads are trapped at points at the intersection of the pressure nodes of the SAW and BW fields, and 1-μm beads are trapped in lines at the pressure nodes of the SAW field, producing a multi-scale pattern.
Ultra-narrow-band light dissipation by a stack of lamellar silver and alumina
Authors: Zhao Ding , Meng Lijun , Gong Hanmo , Chen Xingxing , Chen Yiting , Yan Min , Li Qiang , Qiu Min
Published: June 2014

An ultra-narrow band absorber consisting of continuous silver and alumina films is investigated. Owing to Fabry–Pérot resonance and silver's inherent loss, an ultra-narrow spectral range of light can be entirely trapped in the structure. By varying thicknesses of metallic and dielectric films, absorption peak shifts in visible and near-infrared regions. When two such metal-insulator-metal stacks are cascaded, experimental results show that an ultra-narrow absorption bandwidth of 7 nm is achieved, though theoretical results give that of 2 nm. Features of high-efficiency and ultra-narrow band absorption have huge potential in optical filtering, thermal emitter design, etc.
Photoelectrochemical water splitting and hydrogen generation by a spontaneously formed InGaN nanowall network
Authors: Alvi N. H. , Soto Rodriguez P. E. D. , Kumar Praveen , Gómez V. J. , Aseev P. , Alvi A. H. , Alvi M. A. , Willander M. , Nötzel R.
Published: June 2014

We investigate photoelectrochemical water splitting by a spontaneously formed In-rich InGaN nanowall network, combining the material of choice with the advantages of surface texturing for light harvesting by light scattering. The current density for the InGaN-nanowalls-photoelectrode at zero voltage versus the Ag/AgCl reference electrode is 3.4 mA cm−2 with an incident-photon-to-current-conversion efficiency (IPCE) of 16% under 350 nm laser illumination with 0.075 W·cm−2 power density. In comparison, the current density for a planar InGaN-layer-photoelectrode is 2 mA cm−2 with IPCE of 9% at zero voltage versus the Ag/AgCl reference electrode. The H2 generation rates at zero externally applied voltage versus the Pt counter electrode per illuminated area are 2.8 and 1.61 μmol·h−1·cm−2 for the InGaN nanowalls and InGaN layer, respectively, revealing ∼57% enhancement for the nanowalls.
Enhanced multicolor fluorescence in bioimaging using deep-ultraviolet surface plasmon resonance
Authors: Kikawada Masakazu , Ono Atsushi , Inami Wataru , Kawata Yoshimasa
Published: June 2014

Enhanced multicolor fluorescence has been achieved using deep-ultraviolet surface plasmon resonance (DUV-SPR) on an aluminum thin film using the Kretschmann configuration. The film thickness and the incident angle of the light were optimized by calculations using the Fresnel equations. The presence of a surface oxide layer was also considered in the calculations. Experimental measurements showed that DUV-SPR led to a strong enhancement of the fluorescence intensity from both quantum dots and dye-labeled cells.
In situ observation of structure and electrical property changes of a Ga-doped ZnO/graphene flexible transparent electrode during deformation
Authors: Zhang L. Q. , Gao Z. F. , Tu Z. Q. , Liu C. , Qi Y. , Yang F. , Yang W. , Jiang D. Q. , Guo Y. P. , Ye Z. Z. , Lu J. G. , Hou X. Y. , Li Y. F. , Cui L. S.
Published: June 2014

Ga-doped ZnO (GZO)/graphene multilayer film was fabricated on the polyethylene terephthalate substrate at room temperature. The obtained GZO/graphene multilayer showed a transparence of 75% at 550 nm and a sheet resistance of 721 Ω/sq. Our findings indicate that the graphene intermediate layer plays a critical role in improving the conductivities of GZO. Under a tensile strain, the sheet resistance of the GZO electrode without graphene exhibited a sharp increase owing to the plenty of cracks formed in the GZO layer. In contrast, the GZO/graphene multilayer displayed a relatively stable and low resistance during the tensile deformation due to the excellent mechanical and electrical stabilities of the graphene.
Enhancing the stability of microplasma device utilizing diamond coated carbon nanotubes as cathode materials
Authors: Chang Tinghsun , Kunuku Srinivasu , Sankaran Kamatchi Jothiramalingam , Leou Keh-Chyang , Tai Nyanhwa , Lin I-Nan
Published: June 2014

This paper reports the enhanced stability of a microplasma device by using hybrid-granular-structured diamond (HiD) film coated carbon nanotubes (CNTs) as cathode, which overcomes the drawback of short life time in the CNTs-based one. The microplasma device can be operated more than 210 min without showing any sign of degradation, whereas the CNTs-based one can last only 50 min. Besides the high robustness against the Ar-ion bombardment, the HiD/CNTs material also possesses superior electron field emission properties with low turn-on field of 3.2 V/μm, which is considered as the prime factor for the improved plasma illumination performance of the devices.