bluuebunny/crossref_metadata_2025 huggingface dataset:
Liquidity Risk and the Credit Crunch of 2007–2008: Evidence from Micro-Level Data on Mortgage Loan Applications
Authors: Antoniades Adonis
Published: December 2016

Recent empirical studies have shown that during the financial crisis of 2007–2008, banks that were more heavily exposed to liquidity risk contracted their supply of credit more sharply. I contribute to the identification of this effect by relying on the use of micro-level data on U.S. mortgage loan applications, which allows me to identify liquidity risk as an important determinant of the contraction of credit in the mortgage market but as separate from the precipitous fall in credit demand, disruptions in the securitization and subprime markets, shifts in asset risk, and changing risk aversion among loan officers.
Spreading the Misery? Sources of Bankruptcy Spillover in the Supply Chain
Authors: Kolay Madhuparna , Lemmon Michael , Tashjian Elizabeth
Published: December 2016

We document that suppliers to purely financially distressed companies that are highly likely to reorganize in bankruptcy incur little or no spillover costs. In contrast, suppliers to economically distressed firms experience large losses in market value that are linked to proxies for the cost of replacing the bankrupt customers. Suppliers experience increased selling, general, and administrative (SG&A) expenses and lower margins in the year following the bankruptcy of their trading partners, which we link to proxies for partner replacement costs. Suppliers continue to extend trade credit to firms that are healthier and in situations where the cost of replacing the partner is higher.
Oligopeptidase B and B2: comparative modelling and virtual screening as searching tools for new antileishmanial compounds
Authors: SODERO ANA CAROLINA R. , DOS SANTOS ANA CAROLINA G. O. , MELLO JULIANA F. R. E , DE JESUS JÉSSICA B. , DE SOUZA ALESSANDRA M. T. , RODRIGUES MARIA ISABEL C. , DE SIMONE SALVATORE G. , RODRIGUES CARLOS R. , DE MATOS GUEDES HERBERT L.
Published: December 2016

Leishmaniasis are diseases caused by parasites of the genus Leishmania and transmitted to humans by the bite of infected insects of the subfamily Phlebotominae. Current drug therapy shows high toxicity and severe adverse effects. Recently, two oligopeptidases (OPBs) were identified in Leishmania amazonensis, namely oligopeptidase B (OPB) and oligopeptidase B2 (OPB2). These OPBs could be ideal targets, since both enzymes are expressed in all parasite lifecycle and were not identified in human. This work aimed to identify possible dual inhibitors of OPB and OPB2 from L. amazonensis. The three-dimensional structures of both enzymes were built by comparative modelling and used to perform a virtual screening of ZINC database by DOCK Blaster server. It is the first time that OPB models from L. amazonensis are used to virtual screening approach. Four hundred compounds were identified as possible inhibitors to each enzyme. The top scored compounds were submitted to refinement by AutoDock program. The best results suggest that compounds interact with important residues, as Tyr490, Glu612 and Arg655 (OPB numbers). The identified compounds showed better results than antipain and drugs currently used against leishmaniasis when ADMET in silico were performed. These compounds could be explored in order to find dual inhibitors of OPB and OPB2 from L. amazonensis.
What defines mindfulness-based programs? The warp and the weft
Authors: Crane R. S. , Brewer J. , Feldman C. , Kabat-Zinn J. , Santorelli S. , Williams J. M. G. , Kuyken W.
Published: December 2016

There has been an explosion of interest in mindfulness-based programs (MBPs) such as Mindfulness-Based Stress Reduction (MBSR) and Mindfulness-Based Cognitive Therapy. This is demonstrated in increased research, implementation of MBPs in healthcare, educational, criminal justice and workplace settings, and in mainstream interest. For the sustainable development of the field there is a need to articulate a definition of what an MBP is and what it is not. This paper provides a framework to define the essential characteristics of the family of MBPs originating from the parent program MBSR, and the processes which inform adaptations of MBPs for different populations or contexts. The framework addresses the essential characteristics of the program and of teacher. MBPs: are informed by theories and practices that draw from a confluence of contemplative traditions, science, and the major disciplines of medicine, psychology and education; underpinned by a model of human experience which addresses the causes of human distress and the pathways to relieving it; develop a new relationship with experience characterized by present moment focus, decentering and an approach orientation; catalyze the development of qualities such as joy, compassion, wisdom, equanimity and greater attentional, emotional and behavioral self-regulation, and engage participants in a sustained intensive training in mindfulness meditation practice, in an experiential inquiry-based learning process and in exercises to develop understanding. The paper's aim is to support clarity, which will in turn support the systematic development of MBP research, and the integrity of the field during the process of implementation in the mainstream.
Challenges to the Independence of the International Judiciary: Reflections on the International Court of Justice
Authors: KEITH KENNETH J.
Published: December 2016

The International Court of Justice and other international tribunals have a much more prominent role in settling international disputes than they did 50 years ago. It follows that the measures for the protection of the independence of the institutions and their members are even more important. Those protections include the qualifications judges are to have, the methods of their election and selection, their commitment to their responsibilities, and their methods of work. Also important are the reactions to their decisions by states, particularly the parties, the wider international community and the contribution of the rulings of the institutions to the clarification of the law and its development.
Adolescent cannabis use, change in neurocognitive function, and high-school graduation: A longitudinal study from early adolescence to young adulthood
Authors: Castellanos-Ryan Natalie , Pingault Jean-Baptiste , Parent Sophie , Vitaro Frank , Tremblay Richard E. , Séguin Jean R.
Published: December 2016

The main objective of this prospective longitudinal study was to investigate bidirectional associations between adolescent cannabis use (CU) and neurocognitive performance in a community sample of 294 young men from ages 13 to 20 years. The results showed that in early adolescence, and prior to initiation to CU, poor short-term and working memory, but high verbal IQ, were associated with earlier age of onset of CU. In turn, age of CU onset and CU frequency across adolescence were associated with (a) specific neurocognitive decline in verbal IQ and executive function tasks tapping trial and error learning and reward processing by early adulthood and (b) lower rates of high-school graduation. The association between CU onset and change in neurocognitive function, however, was found to be accounted for by CU frequency. Whereas the link between CU frequency across adolescence and change in verbal IQ was explained (mediated) by high school graduation, the link between CU frequency and tasks tapping trial and error learning were independent from high school graduation, concurrent cannabis and other substance use, adolescent alcohol use, and externalizing behaviors. Findings support prevention efforts aimed at delaying onset and reducing frequency of CU.
Sites of Corruption, Sites of Liberation: Hamburg-St. Pauli and the Contested Spaces of Early Rock'n’Roll
Authors: SNEERINGER JULIA
Published: December 2016

Rock'n'roll emerged in Hamburg in the unique spatial context of St. Pauli's entertainment district during a new phase of capitalist modernity around 1960 that granted youth unprecedented access to commercial venues catering to their new economic power. Crossing class, regional and national lines, young people used spaces free of parental supervision to create alternatives to the era's sexual conservatism and social conformity. This new youth presence worried local authorities: minors had to be shielded from the commercialised vice that was St. Pauli's stock in trade. This set up clashes between police, city officials, business leaders and social welfare agents on the one side, and club entrepreneurs and music fans on the other. Confrontations between these two camps constituted struggles over social discipline, youths’ right to public and commercial space, the meanings of democracy and the sexual morality of youth in a place known for license and excess.
‘How the Other Half Live’: Poor and Rich Citizenship in Austere Welfare Regimes
Authors: Edmiston Daniel
Published: December 2016

A growing body of research quantifies the recent impact of fiscal consolidation and public service reform in liberal welfare regimes. However, less is known about how this is affecting the common terms upon which citizenship status is granted and experienced. With this in mind, this article examines what bearing the political crafting of welfare austerity is having on the status, rights and identity of notionally equal citizens. To do so, this article draws on a qualitative study examining lived experiences of poor and rich citizenship in New Zealand and the UK. Despite policy programmes idiosyncratic to their institutional context, both countries exhibit a similarly bifurcated system of social citizenship that is serving to structure, rather than moderate, material and status inequalities in austere welfare regimes.
Shun-ichiro Karato Receives 2016 Inge Lehmann Medal
Authors:   AGU
Published: December 2016

Shun-ichiro Karato was awarded the 2016 Inge Lehmann Medal at the American Geophysical Union Fall Meeting Honors Ceremony, held on 14 December 2016 in San Francisco, Calif. The medal is for "outstanding contributions to the understanding of the structure, composition, and dynamics of the Earth's mantle and core."
E2-25K SUMOylation inhibits proteasome for cell death during cerebral ischemia/reperfusion
Authors: Jeong Eun Il , Chung Hae Won , Lee Won Jea , Kim Seo-Hyun , Kim Hyunjoo , Choi Seon-Guk , Jung Yong-Keun
Published: December 2016

Cerebral ischemia/reperfusion (I/R) causes brain damage accompanied by ubiquitin accumulation and impairment of proteasome activity. In this study, we report that E2-25K, an E2-conjugating enzyme, is SUMOylated during oxidative stress and regulates cerebral I/R-induced damage. Knockdown of E2-25K expression protects against oxygen/glucose deprivation and reoxygenation (OGD/R)-induced neuronal cell death, whereas ectopic expression of E2-25K stimulates it. Compared with the control mice, cerebral infarction lesions and behavioral/neurological disorders are ameliorated in E2-25K knockout mice during middle cerebral artery occlusion and reperfusion. In particular, E2-25K is SUMOylated at Lys14 under oxidative stress, OGD/R and I/R to prompt cell death. Further, E2-25K downregulates the proteasome subunit S5a to impair proteasome complex and thus restrain proteasome activity under oxidative stress. This proteasome inhibitory activity of E2-25K is dependent on its SUMOylation. These results suggest that E2-25K has a crucial role in oxidative stress and cerebral I/R-induced damage through inhibiting proteasome via its SUMOylation.
Markedly enhanced visible-light photocatalytic H2 generation over g-C3N4 nanosheets decorated by robust nickel phosphide (Ni12P5) cocatalysts
Authors: Wen Jiuqing , Xie Jun , Shen Rongchen , Li Xin , Luo XingYi , Zhang Hongdan , Zhang Aiping , Bi Guican
Published: December 2016

Ni12P5 modified g-C3N4 photocatalysts exhibit significantly enhanced photocatalytic H2-evolution activities under visible light irradiation.
Highly exposed Fe–N4active sites in porous poly-iron-phthalocyanine based oxygen reduction electrocatalyst with ultrahigh performance for air cathode
Authors: Anandhababu Ganesan , Abbas Syed Comail , Lv Jiangquan , Ding Kui , Liu Qin , Babu Dickson D. , Huang Yiyin , Xie Jiafang , Wu Maoxiang , Wang Yaobing
Published: December 2016

Synthesis of highly ORR active Porous 2D PFe–Pc electrocatalystviasimple solid-state chemical reaction without pyrolysis is reported.
Morphology tuning of assembled Au–Cu nicotinate rings by ligand coordination and their use as efficient catalysts
Authors: Fu Shanshan , Ren Guojuan , Li Shuang , Chai Fang , Wang Chungang , Qu Fengyu
Published: December 2016

In this work, cyclic annular Au–Cu nicotinates were synthesized through a facile one-pot method.
Looking Back to Move Forward: 25 Years of Thinking About AAC and Language
Authors: Zangari Carole
Published: December 2016

While the augmentative and alternative communication (AAC) field has advanced in terms of theoretical underpinnings, research-supported strategies, technological improvements, and accessibility of appropriate clinical services, most people with AAC needs continue to experience considerable difficulty in the journey to become linguistically proficient. This paper explores some of the changes that have specifically impacted our understanding of language, language acquisition, and language intervention in individuals with significant communication challenges. Implications for AAC interventionists are reviewed, along with guidelines for moving toward better language outcomes.
Numerical simulations of piecewise deterministic Markov processes with an application to the stochastic Hodgkin-Huxley model
Authors: Ding Shaojie , Qian Min , Qian Hong , Zhang Xuejuan
Published: December 2016

The stochastic Hodgkin-Huxley model is one of the best-known examples of piecewise deterministic Markov processes (PDMPs), in which the electrical potential across a cell membrane, V(t), is coupled with a mesoscopic Markov jump process representing the stochastic opening and closing of ion channels embedded in the membrane. The rates of the channel kinetics, in turn, are voltage-dependent. Due to this interdependence, an accurate and efficient sampling of the time evolution of the hybrid stochastic systems has been challenging. The current exact simulation methods require solving a voltage-dependent hitting time problem for multiple path-dependent intensity functions with random thresholds. This paper proposes a simulation algorithm that approximates an alternative representation of the exact solution by fitting the log-survival function of the inter-jump dwell time, H(t), with a piecewise linear one. The latter uses interpolation points that are chosen according to the time evolution of the H(t), as the numerical solution to the coupled ordinary differential equations of V(t) and H(t). This computational method can be applied to all PDMPs. Pathwise convergence of the approximated sample trajectories to the exact solution is proven, and error estimates are provided. Comparison with a previous algorithm that is based on piecewise constant approximation is also presented.
Systematic search for spherical crystal X-ray microscopes matching 1–25 keV spectral line sources
Authors: Schollmeier Marius S. , Loisel Guillaume P.
Published: December 2016

Spherical-crystal microscopes are used as high-resolution imaging devices for monochromatic x-ray radiography or for imaging the source itself. Crystals and Miller indices (hkl) have to be matched such that the resulting lattice spacing d is close to half the spectral wavelength used for imaging, to fulfill the Bragg equation with a Bragg angle near 90∘ which reduces astigmatism. Only a few suitable crystal and spectral-line combinations have been identified for applications in the literature, suggesting that x-ray imaging using spherical crystals is constrained to a few chance matches. In this article, after performing a systematic, automated search over more than 9 × 106 possible combinations for x-ray energies between 1 and 25 keV, for six crystals with arbitrary Miller-index combinations hkl between 0 and 20, we show that a matching, efficient crystal and spectral-line pair can be found for almost every Heα or Kα x-ray source for the elements Ne to Sn. Using the data presented here it should be possible to find a suitable imaging combination using an x-ray source that is specifically selected for a particular purpose, instead of relying on the limited number of existing crystal imaging systems that have been identified to date.
Anisotropic models are unitary: A rejuvenation of standard quantum cosmology
Authors: Pal Sridip , Banerjee Narayan
Published: December 2016

The present work proves that the folklore of the pathology of non-conservation of probability in quantum anisotropic models is wrong. It is shown in full generality that all operator ordering can lead to a Hamiltonian with a self-adjoint extension as long as it is constructed as a symmetric operator. It is indicated that the self-adjoint extension, however, is not unique and this non-uniqueness is suspected not to be a feature of anisotropic models only, in the sense that there exists operator orderings such that Hamiltonian for an isotropic homogeneous cosmological model does not have unique self-adjoint extension. For isotropic model, there is a special unique extension associated with quadratic form of Hamiltonian, i.e., a Friedrich’s extension. Details of calculations are carried out for a Bianchi III model as an example.
Obliquely propagating dust ion-acoustic solitary waves and double layers in multicomponent plasmas
Authors: Saini N. S. , Kaur Barjinder , Gill T. S.
Published: December 2016

This research work deals with the propagation characteristics of dust ion-acoustic solitary waves and double layers in a strongly magnetized and rotating plasma comprising of fluid ions, charged dust, superthermal electrons, and positrons. In small amplitude approximation, reductive perturbation technique is employed to derive the Korteweg-de Vries (KdV) equation, and its analytical solution is presented. The combined effects of variation of different plasma parameters like superthermality, dust concentration, magnetic field strength, and rotation of a plasma on the amplitude and width of dust ion-acoustic solitons are analyzed. Both positive and negative potential solitary waves occur in this dusty plasma system. The critical values of plasma parameters for which KdV model is not valid, are examined, and the modified KdV (mKdV) equation is derived. The existence regimes of mKdV solitons and double layers have also been investigated. Positive and negative potential double layers occur in the present plasma system.
Enhancement of laser intensity and proton acceleration using micro-tube plasma lens targets
Authors: Snyder J. , Ji L. L. , Akli K. U.
Published: December 2016

A hollow, cylindrical, micron-scale structure is proposed to enhance and manipulate the laser plasma interaction. It is shown through 3-D particle-in-cell simulations that the incident laser pulse intensity is enhanced within the tube. A detailed study of the intensification optimizes the tube dimensions and provides a characterization of the in-tube intensity. By coupling the micro-tube plasma lens to a traditional flat interface, we show an increase in on-target intensity. We detail proton energy enhancement as a potential application of the micro-tube plasma lens target, where the tube structure focuses the light and provides additional electrons that enhance the accelerating sheath field.
Theoretical study of actinide monocarbides (ThC, UC, PuC, and AmC)
Authors: Pogány Peter , Kovács Attila , Visscher Lucas , Konings Rudy J. M.
Published: December 2016

A study of four representative actinide monocarbides, ThC, UC, PuC, and AmC, has been performed with relativistic quantum chemical calculations. The two applied methods were multireference complete active space second-order perturbation theory (CASPT2) including the Douglas-Kroll-Hess Hamiltonian with all-electron basis sets and density functional theory with the B3LYP exchange-correlation functional in conjunction with relativistic pseudopotentials. Beside the ground electronic states, the excited states up to 17 000 cm−1 have been determined. The molecular properties explored included the ground-state geometries, bonding properties, and the electronic absorption spectra. According to the occupation of the bonding orbitals, the calculated electronic states were classified into three groups, each leading to a characteristic bond distance range for the equilibrium geometry. The ground states of ThC, UC, and PuC have two doubly occupied π orbitals resulting in short bond distances between 1.8 and 2.0 Å, whereas the ground state of AmC has significant occupation of the antibonding orbitals, causing a bond distance of 2.15 Å.
Different conical intersections control nonadiabatic photochemistry of fluorene light-driven molecular rotary motor: A CASSCF and spin-flip DFT study
Authors: Li Yuanying , Liu Fengyi , Wang Bin , Su Qingqing , Wang Wenliang , Morokuma Keiji
Published: December 2016

We report the light-driven isomerization mechanism of a fluorene-based light-driven rotary motor (corresponding to Feringa’s 2nd generation rotary motor, [M. M. Pollard et al., Org. Biomol. Chem. 6, 507–512 (2008)]) at the complete active space self-consistent field (CASSCF) and spin-flip time-dependent density functional theory (TDDFT) (SFDFT) levels, combined with the complete active space second-order perturbation theory (CASPT2) single-point energy corrections. The good consistence between the SFDFT and CASSCF results confirms the capability of SFDFT in investigating the photoisomerization step of the light-driven molecular rotary motor, and proposes the CASPT2//SFDFT as a promising and effective approach in exploring photochemical processes. At the mechanistic aspect, for the fluorene-based motor, the S1/S0 minimum-energy conical intersection (MECIs) caused by pyramidalization of a fluorene carbon have relatively low energies and are easily accessible by the reactive molecule evolution along the rotary reaction path; therefore, the fluorene-type MECIs play the dominant role in nonadiabatic decay, as supported by previous experimental and theoretical works. Comparably, the other type of MECIs that results from pyramidalization of an indene carbon, which has been acting as the dominant nonadiabatic decay channel in the stilbene motor, is energetically inaccessible, thus the indene-type MECIs are “missing” in previous mechanistic studies including molecular dynamic simulations. A correlation between the geometric and electronic factors of MECIs and that of the S1 energy profile along the C═C rotary coordinate was found. The findings in current study are expected to deepen the understanding of nonadiabatic transition in the light-driven molecular rotary motor and provide insights into mechanistic tuning of their performance.
Internal dynamics of microgels: A mesoscale hydrodynamic simulation study
Authors: Ghavami Ali , Kobayashi Hideki , Winkler Roland G.
Published: December 2016

We analyze the dynamics of polymers in a microgel system under different swelling conditions. A microgel particle consists of coarse-grained linear polymers which are tetra-functionally crosslinked and undergoes conformational changes in response to the external stimuli. Here, a broad range of microgel sizes, extending from tightly collapsed to strongly swollen particles, is considered. In order to account for hydrodynamic interactions, the microgel is embedded in a multiparticle collision dynamics fluid while hydrophobic attraction is modelled by an attractive Lennard-Jones potential and swelling of ionic microgels is described through the Debye-Hückel potential. The polymer dynamics is analyzed in terms of the monomer mean square displacement and the intermediate scattering function S(q, t). The scattering function decays in a stretched-exponential manner, with a decay rate exhibiting a crossover from a collective diffusive dynamics at low magnitudes of the wavevector q to a hydrodynamic-dominated dynamics at larger q. There is little difference between the intermediate scattering functions of microgels under good solvent conditions and strongly swollen gels, but strongly collapsed gels exhibit a faster decay at short times and hydrodynamic interactions become screened. In addition, we present results for the dynamics of the crosslinks, which exhibit an unexpected, semiflexible polymer-like dynamics.
Molecular simulation of flow-enhanced nucleation in n-eicosane melts under steady shear and uniaxial extension
Authors: Nicholson David A. , Rutledge Gregory C.
Published: December 2016

Non-equilibrium molecular dynamics is used to study crystal nucleation of n-eicosane under planar shear and, for the first time, uniaxial extension. A method of analysis based on the mean first-passage time is applied to the simulation results in order to determine the effect of the applied flow field type and strain rate on the steady-state nucleation rate and a characteristic growth rate, as well as the effects on kinetic parameters associated with nucleation: the free energy barrier, critical nucleus size, and monomer attachment pre-factor. The onset of flow-enhanced nucleation (FEN) occurs at a smaller critical strain rate in extension as compared to shear. For strain rates larger than the critical rate, a rapid increase in the nucleation rate is accompanied by decreases in the free energy barrier and critical nucleus size, as well as an increase in chain extension. These observations accord with a mechanism in which FEN is caused by an increase in the driving force for crystallization due to flow-induced entropy reduction. At high applied strain rates, the free energy barrier, critical nucleus size, and degree of stretching saturate, while the monomer attachment pre-factor and degree of orientational order increase steadily. This trend is indicative of a significant diffusive contribution to the nucleation rate under intense flows that is correlated with the degree of global orientational order in a nucleating system. Both flow fields give similar results for all kinetic quantities with respect to the reduced strain rate, which we define as the ratio of the applied strain rate to the critical rate. The characteristic growth rate increases with increasing strain rate, and shows a correspondence with the nucleation rate that does not depend on the type of flow field applied. Additionally, a structural analysis of the crystalline clusters indicates that the flow field suppresses the compaction and crystalline ordering of clusters, leading to the formation of large articulated clusters under strong flow fields, and compact well-ordered clusters under weak flow fields.
Ponderomotive convection in water induced by a CW laser
Authors: Shneider M. N. , Semak V. V.
Published: December 2016

An optically induced convection during IR laser interaction with water or any absorbing liquid is described theoretically. The numerical simulations performed using the developed model show that the optical pressure and ponderomotive forces produce water flow in the direction of the laser beam propagation. In the later stage of interaction, when the water temperature rises, the Archimedes force becomes comparable and, ultimately, dominant, producing convection directed against the vector of gravitational acceleration (upward). The theoretical estimates and numerical simulations predict fluid dynamics similar to what is observed in previous experiments.
Thermal properties measurements of a silica/pyrocarbon composite at the microscale
Authors: De Indrayush , Battaglia Jean-Luc , Vignoles Gérard L.
Published: December 2016

Laminar pyrocarbons are used as interphases or matrices of carbon/carbon and ceramic-matrix composites in several high-temperature aerospace applications. Depending on their organization at the microscale, they can have a variety of mechanical and thermal properties. Hence, it is important to know, before thermal processing, the properties of these matrices at the micrometer scale in order to improve and control the composite behavior in a macroscopic scale. We use the scanning thermal microscopy on a silica fiber/regenerative laminar pyrocarbon matrix composite to provide an insight into the effective thermal conductivity of pyrocarbon as well as the thermal contact resistance at the interface between fiber and matrix. The conductivity of pyrocarbon is discussed as a function of its nanostructural organization.
Focusing of light beyond the diffraction limit by randomly distributed graded index photonic medium
Authors: Turduev M. , Hayran Z. , Kurt H.
Published: December 2016

Sub-wavelength focusing of light holds great potential in various applications of science and engineering, including nanolithography, optical microscopy, optical measurements, and data storage. In the present paper, we propose a new concept to obtain sub-wavelength focusing of light by using structures composed of all-dielectric materials. The approach utilizes the design of an inhomogeneous refractive index profile with random distributions of individual elements occupying the unit cells of two-dimensional photonic crystals (PCs). Light focusing phenomenon is both systematically and quantitatively analyzed at different selected frequencies and we show that the randomly generated graded index (GRIN)-like photonic medium provides light focusing in air with a spot size below λ/3, where λ is the wavelength of light. The numerically obtained minimum spot size is equal to 0.260λ. Gaussian probability function is used to implement numerous random designs to investigate the optical characteristics of the photonic medium. Specific attention is paid to the sub-wavelength focusing properties of the designed random PC structures. The random ingredient of GRIN PC provides not only narrow focusing of light but also off-centered or asymmetric light focusing at the back side of the structure. Experimental verification conducted at the microwave region shows good agreement with the numerical results.
Enhancing the conductivity of molecular electronic devices
Authors: Stuyver Thijs , Fias Stijn , De Proft Frank , Geerlings Paul , Tsuji Yuta , Hoffmann Roald
Published: December 2016

We show in this work that conjugated π-electron molecular chains can, in quite specific and understood circumstances, become more conductive the longer they get, in contradiction to what would be expected intuitively. The analysis, done in the framework of the source and sink potential method, and supported by detailed transmission calculations, begins by defining “relative transmission,” an inherent measure of molecular conduction. This, in turn, for conjugated hydrocarbons, is related to a simple molecular orbital expression—the ratio of secular determinants of a molecule and one where the electrode contacts are deleted—and a valence bond idea, since these secular determinants can alternatively be expressed in terms of Kekulé structures. A plausible argument is given for relating the relative transmission to the weight of the diradical resonance structures in the resonance hybrid for a molecule. Chemical intuition can then be used to tune the conductivity of molecules by “pushing” them towards more or less diradical character. The relationship between relative transmission (which can rise indefinitely) and molecular transmission is carefully analyzed—there is a sweet spot here for engineering molecular devices. These new insights enable the rationalization of a wide variety of experimental and theoretical results for π-conjugated alternant hydrocarbons, especially the striking difference between extended oligophenylenes and related quinoid chains. In this context, oligo-p-phenylene macrocycles emerge as a potential molecular switch.
Intermolecular dissociation energies of dispersively bound 1-naphthol⋅cycloalkane complexes
Authors: Maity Surajit , Ottiger Philipp , Balmer Franziska A. , Knochenmuss Richard , Leutwyler Samuel
Published: December 2016

Intermolecular dissociation energies D0(S0) of the supersonic jet-cooled complexes of 1-naphthol (1NpOH) with cyclopentane, cyclohexane, and cycloheptane were determined to within <0.5% using the stimulated-emission pumping resonant two-photon ionization method. The ground state D0(S0) values are bracketed as 20.23±0.07 kJ/mol for 1NpOH⋅cyclopentane, 20.34±0.04 kJ/mol for 1NpOH⋅cyclohexane, and 22.07±0.10 kJ/mol for two isomers of 1NpOH⋅cycloheptane. Upon S0→S1 excitation of the 1-naphthol chromophore, the dissociation energies of the 1NpOH⋅cycloalkane complexes increase from 0.1% to 3%. Three dispersion-corrected density functional theory (DFT) methods predict that the cycloalkane moieties are dispersively bound to the naphthol face via London-type interactions, similar to the “face” isomer of the 1-naphthol⋅cyclopropane complex [S. Maity et al., J. Chem. Phys. 145, 164304 (2016)]. The experimental and calculated D0(S0) values of the cyclohexane and cyclopentane complexes are practically identical, although the polarizability of cyclohexane is ∼20% larger than that of cyclopentane. Investigation of the calculated pairwise atomic contributions to the D2 dispersion energy reveals that this is due to subtle details of the binding geometries of the cycloalkanes relative to the 1-naphthol ring. The B97-D3 DFT method predicts dissociation energies within about ±1% of experiment, including the cyclopropane face complex. The B3LYP-D3 and ωB97X-D calculated dissociation energies are 7–9 and 13–20% higher than the experimental D0(S0) values. Without dispersion correction, all the complexes are calculated to be unbound.
Distortion correction and cross-talk compensation algorithm for use with an imaging spectrometer based spatially resolved diffuse reflectance system
Authors: Cappon Derek J. , Farrell Thomas J. , Fang Qiyin , Hayward Joseph E.
Published: December 2016

Optical spectroscopy of human tissue has been widely applied within the field of biomedical optics to allow rapid, in vivo characterization and analysis of the tissue. When designing an instrument of this type, an imaging spectrometer is often employed to allow for simultaneous analysis of distinct signals. This is especially important when performing spatially resolved diffuse reflectance spectroscopy. In this article, an algorithm is presented that allows for the automated processing of 2-dimensional images acquired from an imaging spectrometer. The algorithm automatically defines distinct spectrometer tracks and adaptively compensates for distortion introduced by optical components in the imaging chain. Crosstalk resulting from the overlap of adjacent spectrometer tracks in the image is detected and subtracted from each signal. The algorithm’s performance is demonstrated in the processing of spatially resolved diffuse reflectance spectra recovered from an Intralipid and ink liquid phantom and is shown to increase the range of wavelengths over which usable data can be recovered.
Reduction and reconstruction of stochastic differential equations via symmetries
Authors: De Vecchi Francesco C. , Morando Paola , Ugolini Stefania
Published: December 2016

An algorithmic method to exploit a general class of infinitesimal symmetries for reducing stochastic differential equations is presented, and a natural definition of reconstruction, inspired by the classical reconstruction by quadratures, is proposed. As a side result, the well-known solution formula for linear one-dimensional stochastic differential equations is obtained within this symmetry approach. The complete procedure is applied to several examples with both theoretical and applied relevance.
Templated assembly of metal nanoparticle films on polymer substrates
Authors: Waters R. F. , Ohtsu A. , Naya M. , Hobson P. A. , Macdonald K. F. , Zheludev N. I.
Published: December 2016

We report on directed self-assembly of ordered, vapor-deposited gallium nanoparticles on surface-relief-structured polymer substrates. Grating templates impose periodic order in one dimension, most effectively when the grating half-period is of the order of the mean unperturbed center-to-center particle spacing for a given mass-thickness of Ga. Self-organized order also emerges in the perpendicular direction as a consequence of the liquid-phase particles' nucleation, growth, and coalescence on the ridges of the grating pattern in relative isolation from the adjacent slots, and vice versa.
Study a compound orthorhombic lattice pattern in dielectric barrier discharge
Authors: Wang Hao , Dong Lifang , Gao Xing , Liu Weibo , Wei Lingyan , Pan Yuyang
Published: December 2016

The compound orthorhombic lattice pattern which is composed of the bright spot and the dim spot is observed for the first time in a dielectric barrier discharge system. It is found that the dim spot is located at the gravity center of the surrounding three bright spots. The discharge bifurcates from a square lattice, hexagon pattern to compound orthorhombic lattice pattern and finally changes to an irregular pattern. The phase diagram of the pattern types as a function of the applied voltage and the argon concentration is given. The spatio-temporal dynamics of the pattern is studied by the time correlation measurement and the high speed video camera images. Results show that the dim spot is formed by both volume discharge and surface discharge induced by the bright spot. The differences of plasma parameters between the bright spots and the dim spots obtained by optical emission spectroscopy verify that the dim spot is formed by both volume discharge and surface discharge. To better understand the mechanism of firing of the dim spots for the same conditions as in the first phase diagram, the phase diagram of the mechanism of firing of the dim spots as a function of the gas pressure and the argon concentration is given. The simulation of the electric fields of wall charges accumulated by bright spots further verifies that the bright spot has an effect on the formation of dim spot.
Effects of electron doping level on minority carrier lifetimes in n-type mid-wave infrared InAs/InAs1−xSbx type-II superlattices
Authors: Kadlec E. A. , Olson B. V. , Goldflam M. D. , Kim J. K. , Klem J. F. , Hawkins S. D. , Coon W. T. , Cavaliere M. A. , Tauke-Pedretti A. , Fortune T. R. , Harris C. T. , Shaner E. A.
Published: December 2016

The minority carrier lifetime (τMC) and equilibrium electron concentration (i.e., the doping level, n0) are both important values that directly determine diffusion current in infrared photodetectors utilizing n-type absorbing regions. Here, time-resolved microwave reflectance measurements are used to non-destructively measure both of these values in mid-wave infrared InAs/InAs1−xSbx type-II superlattices with varying n-type doping levels between 2×1014 cm−3 and 2×1016 cm−3. The measured data are analyzed using carrier recombination theory to determine the doping level ranges where Shockley-Read-Hall (SRH), radiative, and Auger recombination limit τMC. The optimal doping level, which minimizes dark current, is experimentally determined and corresponds to the electron density at which τMC switches from SRH limited to Auger limited behavior. A comparison of two InAs/InAs1−xSbx photodetectors of different equilibrium electron densities demonstrates a decrease in dark current for a doping level near the optimal n0τMC product.
Monitoring mechanical motion of carbon nanotube based nanomotor by optical absorption spectrum
Authors: Wang Baomin , Cao Xuewei , Wang Zhan , Wang Yong , Liu Kaihui
Published: December 2016

The optical absorption spectra of nanomotors made from double-wall carbon nanotubes have been calculated with the time-dependent density functional based tight binding response method. When the outer short tube of the nanomotor moves along or rotates around the inner long tube, the peaks in the spectra will gradually evolve and may shift periodically, the amplitude of which can be as large as hundreds of meV. We show that the features and behaviors of the optical absorption spectra could be used to monitor the mechanical motions of the double-wall carbon nanotube based nanomotor.
Experimental investigation of the dispersion of Scholte-Stoneley waves on a periodically corrugated surface
Authors: Liu Jingfei , Declercq Nico F.
Published: December 2016

The dispersion of the phase velocities of the Scholte-Stoneley waves on a periodically corrugated interface is experimentally investigated and presented. The Scholte-Stoneley waves are generated through diffraction of the incident bulk longitudinal waves in water on a solid-fluid (brass-water) interface with one-dimensional grooves. The diffractions resulting from both the incident longitudinal waves and the generated Scholte-Stoneley waves are experimentally detected in a polar scan. The extracted velocity-frequency curves first confirm that the incident bulk wave is not dispersive and further show that the Scholte-Stoneley wave generated on the periodic interface is also not dispersive, although the velocity-frequency curves have oscillatory features.
Multi-wavelength lasing in a beat structure
Authors: Zhai Tianrui , Wu Xiaofeng , Tong Fei , Li Songtao , Wang Meng , Zhang Xinping
Published: December 2016

Multi-wavelength polymer lasers are produced with one-dimensional beat structures fabricated with multiple gratings at the same substrate location using interference lithography. As a distributed feedback cavity, the beat structure is equivalent to a linear superposition of multiple grating cavities. Each emission wavelength is determined by the corresponding grating cavity, which implies that interaction between different cavities is very weak. For a beat structure consisting of three gratings, emission peaks at 558 nm, 565 nm, and 569 nm originate from 350-nm, 362-nm, and 374-nm cavities, with thresholds of 14.5 μJ/cm2, 15.0 μJ/cm2, and 13.5 μJ/cm2, respectively. This technique provides an alternative way to design compact polymer lasers.
Unrestrained AMPylation targets cytosolic chaperones and activates the heat shock response
Authors: Truttmann Matthias C. , Zheng Xu , Hanke Leo , Damon Jadyn R. , Grootveld Monique , Krakowiak Joanna , Pincus David , Ploegh Hidde L.
Published: December 2016

Significance

The stability of the proteome is essential to cellular and organismic health and lifespan. To maintain proteostasis, cells are equipped with a network of chaperones that support folding of nascent proteins, as well as refolding of unfolded or misfolded proteins. Aging and age-associated diseases progressively increase the accumulation of misfolded, damaged, and aggregated proteins, thus taxing the chaperoning machinery to its limits. Here, we describe how AMPylation of cytosolic heat shock proteins (HSP) leads to a collapse of proteostasis, the induction of a strong heat shock response, inhibition of translation, as well as the formation of protein aggregates. AMPylation-mediated inhibition of HSP70 may represent a strategy for targeted ablation of this chaperone.
Identification of NAD
+
capped mRNAs in
Saccharomyces cerevisiae
Authors: Walters Robert W. , Matheny Tyler , Mizoue Laura S. , Rao Bhalchandra S. , Muhlrad Denise , Parker Roy
Published: December 2016

Significance

The knowledge of the number and functional significance of chemical modifications within mRNA has increased dramatically over the past few years. We identify an mRNA modification in the eukaryote
Saccharomyces cerevisiae
, nicotinamide-adenine dinucleotide (NAD
+
)–linked mRNA, which was previously reported in bacteria. This finding is significant for two reasons. First, NAD
+
is located at the 5′ terminus of mRNAs, where the 7-methylguanosine cap is known to modulate many important mRNA functions. Second, we present data that suggest NAD
+
is added as the initiating nucleotide during transcription, which suggests an additional layer of transcriptional control. The presence of an alternative cap structure on mRNA 5′ ends suggests a possible unanticipated level of regulation due to this modification.
Who wins the championship? Market value and team composition as predictors of success in the top European football leagues
Authors: Gerhards Jürgen , Mutz Michael
Published: December 2016

Processes of commercialisation and globalisation have changed professional football and the composition of football teams fundamentally. Against the background of these shifting conditions we investigate to what extent the success of football teams in their national leagues is determined by: (a) the monetary value of the team expressed in its market value, (b) the inequality within the team, (c) the cultural diversity of the team, and (d) the degree of fluctuation among the team members. The empirical analysis refers to five football seasons, spanning from 2011/2012 until 2015/2016, and includes the twelve most important European football leagues. The findings demonstrate that success in national football championships is highly predictable. The market value of a team is by far the most important single predictor, whereas different features of a team's composition – inequality, cultural diversity, and fluctuation – are less decisive. However, the market value of a team does not play the same role in all of the leagues. The lower the degree of financial inequality in a league, the lower the impact of the market value on teams’ performance.
Opportunities and Challenges in Processing of By‐product of Rice Milling Protein as a Food Ingredient
Authors: Tran Khang N. , Gidley Michael J. , Fitzgerald Melissa
Published: December 2016

The by‐product of rice milling (BRM), known as commercial rice bran, is the coproduct of rice processing. It is a mixture of outer layers of the grain, the embryo, and some of the starchy endosperm, and these are separated from brown rice to produce white, milled rice. This mixture contains a high concentration of protein (12–20%) in comparison with that of brown rice (7.1–8.3%) or white rice (6.3–7.1%) and is therefore an abundant and cheap protein source. Nearly 70% of the proteins in BRM are albumins and globulins, which are high in solubility, digestibility, and nutritional value. The BRM proteins are hypoallergenic and gluten‐free. With these properties, this type protein has many advantages as a unique and valuable protein source in markets such as protein supplements. The BRM protein can be extracted by physical, alkali, and enzymatic methods, which give yields ranging from 13% to more than 90%. This review highlights the opportunities and challenges in processing of BRM protein as a food ingredient.