bluuebunny/crossref_metadata_2025 huggingface dataset:
Photo-switching effect in stilbene organic field effect transistors
Authors: Karimi-Alavijeh Hamidreza , Panahi Farhad , Gharavi Alireza
Published: March 2014

In this paper, we have investigated experimentally the photo-response of the organic field effect transistors (OFETs) based on π-conjugated stilbene oligomers with mutual optical and electrical properties. The cis-trans photoisomerization of these oligomers in the active layer of the OFETs disturbs the intermolecular interactions. This perturbation disrupts the charge transport in the conduction channel and turns-off the transistor. We used this phenomenon to modulate the drain current of the OFETs optically. The photo-response activity of the transistors is temperature dependent, in agreement with the isomerization of the stilbenes. Photoluminescent evaluations verify the isomerization of the oligomers in the thin film.
Long range correlations and folding angle with applications to α-helical proteins
Authors: Krokhotin Andrey , Nicolis Stam , Niemi Antti J.
Published: March 2014

The conformational complexity of chain-like macromolecules such as proteins and other linear polymers is much larger than that of point-like atoms and molecules. Unlike particles, chains can bend, twist, and even become knotted. Thus chains might also display a much richer phase structure. Unfortunately, it is not very easy to characterize the phase of a long chain. Essentially, the only known attribute is the radius of gyration. The way how it changes when the degree of polymerization becomes different, and how it evolves when the ambient temperature and solvent properties change, is commonly used to disclose the phase. But in any finite length chain there are corrections to scaling that complicate the detailed analysis of the phase structure. Here we introduce a quantity that we call the folding angle to identify and scrutinize the phase structure, as a complement to the radius of gyration. We argue for a mean-field level relationship between the folding angle and the scaling exponent in the radius of gyration. We then estimate the value of the folding angle in the case of crystallographic α-helical protein structures in the Protein Data Bank. We also show how the experimental value of the folding angle can be obtained computationally, using a semiclassical Born-Oppenheimer description of α-helical chiral chains.
Response calculations based on an independent particle system with the exact one-particle density matrix: Polarizabilities
Authors: Giesbertz K. J. H. , Gritsenko O. V. , Baerends E. J.
Published: March 2014

Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the system: the phase of the natural orbitals [K. J. H. Giesbertz, O. V. Gritsenko, and E. J. Baerends, Phys. Rev. Lett. 105, 013002 (2010); K. J. H. Giesbertz, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 133, 174119 (2010)]. In this article we will show in detail how the frequency-dependent response equations give the proper static limit (ω → 0), including the perturbation in the chemical potential, which is required in static response theory to ensure the correct number of particles. Additionally we show results for the polarizability for H2 and compare the performance of two different two-electron functionals: the phase-including Löwdin–Shull functional and the density matrix form of the Löwdin–Shull functional.
Informatics guided discovery of surface structure-chemistry relationships in catalytic nanoparticles
Authors: Andriotis Antonis N. , Mpourmpakis Giannis , Broderick Scott , Rajan Krishna , Datta Somnath , Sunkara Mahendra , Menon Madhu
Published: March 2014

A data driven discovery strategy based on statistical learning principles is used to discover new correlations between electronic structure and catalytic activity of metal surfaces. From the quantitative formulations derived from this informatics based model, a high throughput computational framework for predicting binding energy as a function of surface chemistry and adsorption configuration that bypasses the need for repeated electronic structure calculations has been developed.
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
Authors: Parker Trent M. , Burns Lori A. , Parrish Robert M. , Ryno Alden G. , Sherrill C. David
Published: March 2014

A systematic examination of the computational expense and accuracy of Symmetry-Adapted Perturbation Theory (SAPT) for the prediction of non-covalent interaction energies is provided with respect to both method [SAPT0, DFT-SAPT, SAPT2, SAPT2+, SAPT2+(3), and SAPT2+3; with and without CCD dispersion for the last three] and basis set [Dunning cc-pVDZ through aug-cc-pV5Z wherever computationally tractable, including truncations of diffuse basis functions]. To improve accuracy for hydrogen-bonded systems, we also include two corrections based on exchange-scaling (sSAPT0) and the supermolecular MP2 interaction energy (δMP2). When considering the best error performance relative to computational effort, we recommend as the gold, silver, and bronze standard of SAPT: SAPT2+(3)δMP2/aug-cc-pVTZ, SAPT2+/aug-cc-pVDZ, and sSAPT0/jun-cc-pVDZ. Their respective mean absolute errors in interaction energy across the S22, HBC6, NBC10, and HSG databases are 0.15 (62.9), 0.30 (4.4), and 0.49 kcal mol−1 (0.03 h for adenine·thymine complex).
Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach
Authors: Ma HuiLi , Zhao Yi , Liang WanZhen
Published: March 2014

A time-dependent approach is presented to simulate the two-photon absorption (TPA) and resonance hyper-Raman scattering (RHRS) spectra including Duschinsky rotation (mode-mixing) and Herzberg-Teller (HT) vibronic coupling effects. The computational obstacles for the excited-state geometries, vibrational frequencies, and nuclear derivatives of transition dipole moments, which enter the expressions of TPA and RHRS cross sections, are further overcome by the recently developed analytical excited-state energy derivative approaches in the framework of time-dependent density functional theory. The excited-state potential curvatures are evaluated at different levels of approximation to inspect the effects of frequency differences, mode-mixing and HT on TPA and RHRS spectra. Two types of molecules, one with high symmetry (formaldehyde, p-difluorobenzene, and benzotrifluoride) and the other with non-centrosymmetry (cis-hydroxybenzylidene-2,3-dimethylimidazolinone in the deprotonated anion state (HDBI−)), are used as test systems. The calculated results reveal that it is crucial to adopt the exact excited-state potential curvatures in the calculations of TPA and RHRS spectra even for the high-symmetric molecules, and that the vertical gradient approximation leads to a large deviation. Furthermore, it is found that the HT contribution is evident in the TPA and RHRS spectra of HDBI− although its one- and two-photon transitions are strongly allowed, and its effect results in an obvious blueshift of the TPA maximum with respect to the one-photon absorption maximum. With the HT and solvent effects getting involved, the simulated blueshift of 1291 cm−1 agrees well with the experimental measurement.
Interaction of oxygen with samarium on Al2O3 thin film grown on Ni3Al(111)
Authors: Cheng Dingling , Xu Qian , Han Yong , Ye Yifan , Pan Haibin , Zhu Junfa
Published: March 2014

The interaction between oxygen and samarium (Sm) on the well-ordered thin Al2O3 film grown on Ni3Al(111) has been investigated by X-ray photoelectron spectroscopy and synchrotron radiation photoemission spectroscopy. At Sm coverage higher than one monolayer, exposure of oxygen to the Sm films at room temperature leads to the formation of both samarium peroxide (O22−) states and regular samarium oxide (O2−) states. By contrast, when exposing O2 to Sm film less than one monolayer on Al2O3, no O22− can be observed. Upon heating to higher temperatures, these metastable O22− states dissociate, supplying active O atoms which can diffuse through the Al2O3 thin film to further oxidize the underlying Ni3Al(111) substrate, leading to the significant increase of the Al2O3 thin film thickness. Therefore, it can be concluded that Sm, presumably in its peroxide form, acts as a catalyst for the further oxidation of the Ni3Al substrate by supplying the active oxygen species at elevated temperatures.
Theoretical study of thermally stable SiO2/AlN/SiO2 Lamb wave resonators at high temperatures
Authors: Zou Jie , Lin Chih-Ming , Chen Yung-Yu , Pisano Albert P.
Published: March 2014

Aluminum nitride (AlN) and silicon dioxide (SiO2) bilayer structure has been widely utilized in temperature-compensated micromechanical resonators as SiO2 has unique positive temperature coefficients of elasticity. However, the thermal expansion mismatch would cause large bending deformation and stress distribution in the resonant plate. In this study, a symmetrical SiO2/AlN/SiO2 sandwiched structure is proposed to reduce the temperature-induced deformation in the asymmetrical AlN/SiO2 bilayer plate. The thermal compensation at high temperatures for the Lamb wave resonators utilizing the lowest-order symmetric (S0) mode in the SiO2/AlN/SiO2 sandwiched structure is theoretically investigated herein. While operation temperature rises from room temperature to 600 °C, the temperature-induced bending deformation in the symmetrical SiO2/AlN/SiO2 composite plate is much less than that in the AlN/SiO2 composite plate conventionally used for temperature compensation. Furthermore, the different material properties of the AlN and SiO2 layers make the displacements of the S0 mode not purely symmetric with respect to the neutral axis, whereas the symmetrical SiO2/AlN/SiO2 sandwiched membrane still can enable a pure S0 mode which shows higher phase velocity and larger electromechanical coupling coefficient than the lowest-order quasi-symmetric (QS0) mode traveling in the AlN/SiO2 bilayer membrane. With proper thickness selection of AlN and SiO2, the S0 mode in the symmetrical SiO2/AlN/SiO2 sandwiched membrane can simultaneously offer excellent thermal compensation, high phase velocity, large electromechanical coupling coefficient, and small thermally induced deformation at high temperatures.
Stochastic nonlinear wave equation with memory driven by compensated Poisson random measures
Authors: Liang Fei , Gao Hongjun
Published: March 2014

In this paper, we study a class of stochastic nonlinear wave equation with memory driven by Lévy noise. We first show the existence and uniqueness of global mild solutions using a suitable energy function. Second, under some additional assumptions we prove the exponential stability of the solutions.
A microsecond time resolved x-ray absorption near edge structure synchrotron study of phase transitions in Fe undergoing ramp heating at high pressure
Authors: Marini C. , Occelli F. , Mathon O. , Torchio R. , Recoules V. , Pascarelli S. , Loubeyre P.
Published: March 2014

We report a microsecond time-resolved x-ray absorption near edge structure study using synchrotron radiation to dynamically detect structural phase transitions in Fe undergoing rapid heating along a quasi-isochoric path. Within a few ms, we observed two structural phase transitions, which transform the ambient bcc phase of Fe into the fcc phase, and then into the liquid phase. This example illustrates the opportunities offered by energy dispersive x-ray absorption spectroscopy in the study of matter under extreme dynamic conditions. Advanced simulations are compared to these data.
Sputtering perpendicular magnetic anisotropy CoPt thin film on glass substrate at room temperature
Authors: Huang Chuan-Fa , Sun An-Cheng , Wu Hsian-Yuan , Yuan Fe-Te , Hsu Jen-Hwa
Published: March 2014

[Co1.0/Pt0.75]n multilayers consisting of 1.0-nm-thick Co and 0.75-nm-thick Pt layers with n = 2–6 were grown on glass substrates with and without a Pt underlayer at room temperature (RT). In this study, the effects of total thickness and Pt underlayer on magnetic properties and microstructures are investigated. Without a Pt underlayer, the [Co1.0/Pt0.75]n film exhibits soft magnetic behaviors due to poor crystallization. After the inclusion of a Pt underlayer between magnetic layer and glass substrate, the [Co1.0/Pt0.75]n films show significant perpendicular magnetic anisotropy (PMA), out-of-plane coercivity, and squareness as the total thickness of [Co1.0/Pt0.75]n is in the range of 5.25–10.5 nm. The induced PMA is attributed to the epitaxial growth of CoPt grains along Pt(111) underlayer. The RT-prepared CoPt film with PMA shows high potential in future applications of spintronics.
First principles study of the magnetic properties of LaOMnAs
Authors: Dong Shuai , Li Wei , Huang Xin , Dagotto Elbio
Published: March 2014

Recent experiments reported giant magnetoresistance at room temperature in LaOMnAs. Here, a density functional theory calculation is performed to investigate magnetic properties of LaOMnAs. The ground state is found to be the G-type antiferromagnetic order within the ab plane but coupled ferromagnetically between planes, in agreement with recent neutron investigations. The electronic band structures suggest an insulating state which is driven by the particular G-type magnetic order, while a metallic state accompanies the ferromagnetic order. This relation between magnetism and conductance may be helpful to qualitatively understand the giant magnetoresistance effects.
Seebeck coefficient of one electron
Authors: Durrani Zahid A. K.
Published: March 2014

The Seebeck coefficient of one electron, driven thermally into a semiconductor single-electron box, is investigated theoretically. With a finite temperature difference ΔT between the source and charging island, a single electron can charge the island in equilibrium, directly generating a Seebeck effect. Seebeck coefficients for small and finite ΔT are calculated and a thermally driven Coulomb staircase is predicted. Single-electron Seebeck oscillations occur with increasing ΔT, as one electron at a time charges the box. A method is proposed for experimental verification of these effects.
Communication: THz absorption spectrum of the CO2–H2O complex: Observation and assignment of intermolecular van der Waals vibrations
Authors: Andersen J. , Heimdal J. , Mahler D. W. , Nelander B. , Larsen R. Wugt
Published: March 2014

Terahertz absorption spectra have been recorded for the weakly bound CO2–H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems’ flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm−1 from the class of intermolecular van der Waals vibrations is proposed and the combination with high-level quantum chemical calculations provides a value of 726 ± 15 cm−1 for the dissociation energy D0.
Conditions for spin-gapless semiconducting behavior in Mn2CoAl inverse Heusler compound
Authors: Galanakis I. , Özdoğan K. , Şaşıoğlu E. , Blügel S.
Published: March 2014

Employing ab initio electronic structure calculations, we investigate the conditions for spin-gapless semiconducting (SGS) behavior in the inverse Mn2CoAl Heusler compound. We show that tetragonalization of the lattice, which can occur during films growth, keeps the SGS character of the perfect cubic compound. On the contrary, atomic swaps even between sites with different local symmetry destroy the SGS character giving rise to a half-metallic state. Furthermore, the occurrence of Co-surplus leads also to half-metallicity. Thus, we propose that in order to achieve SGS behavior during the growth of Mn2CoAl (and similar SGS Heusler compounds) thin films, one should minimize the occurrence of defects, while small deformations of the lattice, due to the lattice mismatch with the substrate, do not play a crucial role.
Epitaxial growth of large-area bilayer graphene on Ru(0001)
Authors: Que Yande , Xiao Wende , Fei Xiangmin , Chen Hui , Huang Li , Du S. X. , Gao H.-J.
Published: March 2014

Large-area bilayer graphene (BG) is grown epitaxially on Ru(0001) surface and characterized by low temperature scanning tunneling microscopy. The lattice of the bottom layer of BG is stretched by 1.2%, while strain is absent from the top layer. The lattice mismatch between the two layers leads to the formation of a moiré pattern with a periodicity of ∼21.5 nm and a mixture of AA- and AB-stacking. The √3 × √3 superstructure around atomic defects is attributed to the inter-valley scattering of the delocalized π-electrons, demonstrating that the as-grown BG behaves like intrinsic free-standing graphene.
Kink modes in pedestal
Authors: Wang Z. T. , He Z. X. , Dong J. Q. , Wang Z. H. , Xu M. , Xu X. L. , Mou M. L. , Sun T. T. , Huang J. , Chen S. Y. , Tang C. J.
Published: March 2014

Kink modes are investigated in pedestal for shaped tokamaks. An analytic combining criterion is presented. It lies on the middle of the sufficient criterion of Lortz and necessary criterion of Mercier giving a more restricted necessary criterion. Growth rates and mode structure are calculated. For large poloidal mode number, the modes are highly localized in both poloidal and radial directions. The modes increase rapidly when they approach to the resonant surface. They are typical of edge localized modes (ELMs). It is assumed that the modes vanish inside the next resonant surface, then, there seems to be a second stable region. Several mitigation methods for controlling ELMs are proposed.
Interindividual variation in human T regulatory cells
Authors: Ferraro Alessandra , D’Alise Anna Morena , Raj Towfique , Asinovski Natasha , Phillips Roxanne , Ergun Ayla , Replogle Joseph M. , Bernier Angelina , Laffel Lori , Stranger Barbara E. , De Jager Philip L. , Mathis Diane , Benoist Christophe
Published: March 2014

Significance

Control of immunologic tolerance and homeostasis rely on regulatory T lymphocytes that express the transcription factor FOXP3. To characterize the interindividual variation of human Treg cells, we performed a genome-wide expression and genotypic analysis of 168 human donors, healthy or affected by type-1 or type-2 diabetes (T1D, T2D). We identify
cis
-acting genetic variants that condition Treg effector but not specification genes, and gene clusters that suggest Treg-specific regulatory pathways for some key signature genes (
CTLA4
,
DUSP4
). We also identify factors that may control FOXP3 mRNA or protein expression, the specification of the Treg signature, and Treg suppressive efficacy. Although no single transcript correlates with diabetes, overall expression of the Treg signature is perturbed in T1D, but not T2D, patients.
Chapter 2. Number and noun categorisation
Authors: Aikhenvald Alexandra Y.
Published: March 2014

A combination of number marking, on the one hand, and genders, animacy and classifiers of various sorts on the other, may form the basis for semantic subcategorisation of nominal referents, in addition to further such devices. The paper investigates number as a noun categorisation device in a selection of languages in north-west Amazonia, each with a system of classifiers used in several morphosyntactic contexts. Number is shown to be prone to areal diffusion in situations of language contact.
Chapter 3. Pluractionality and the distribution of number marking across categories
Authors: Dimmendaal Gerrit J.
Published: March 2014

The crucial role of constructions in grammar has been argued for, in particular with respect to idioms, by Fillmore, Kay and O’Connor (1988). But constructions, varying in size and complexity, have been claimed to constitute a central property of language structure in general, in studies such as Goldberg (1995, 2006) and Croft (2001). The present contribution takes pluractionality marking on verbs as a basis on which to provide further evidence for this position. Pluractional constructions prototypically express repetition of some action or event. In the case of intransitive predications, the subject tends to be affected by this, whereas in transitive constructions, pluractionality tends to affect the object. As argued below (Section 2), a construction-level approach towards number marking across categories helps to explain how transnumeral (general number) meaning emerges in Nilo-Saharan and Afroasiatic languages. The present study also provides evidence (in Section 3) for a historical reinterpretation of plural event marking as plural argument marking in one Nilotic (Nilo-Saharan) language, Maasai. As argued in the final Section (4), pluractionality marking as “non-canonical” number marking is common in a range of languages belonging to different language families in Africa and elsewhere, and consequently deserves its proper place in a typology of number marking.
Chapter 6. The history of numeral classifiers in Teiwa (Papuan)
Authors: Klamer Marian A.F.
Published: March 2014

The Papuan language Teiwa has a small set of sortal numeral classifiers: one human classifier, three fruit classifiers, and a general classifier. The classifiers vary widely in function and distribution, and it is argued that it is unlikely that they have been inherited. Instead, it is proposed that Teiwa inherited a class of part-of-whole nouns from which certain members were recruited to be grammaticalised into numeral classifiers through the reanalysis of ambiguous structures. Two more factors have enhanced this development. First, the existence of number neutral nouns in Teiwa implies that nouns must be individuated before they can be counted, a function fulfilled by numeral classifiers. Second, areal pressure from Austronesian classifier languages has reinforced the development of classifiers. Connecting the numeral classifier system of Teiwa with those of its sister languages and the wider linguistic context of eastern Indonesia, we can thus identify structural, semantic and areal factors playing a role when classifiers are born into a language.
Chapter 7. Number and numeration in Nêlêmwa and Zuanga (New Caledonia)
Authors: Bril Isabelle
Published: March 2014

In contrast with some other Austronesian languages, number (i.e. singular, dual, paucal, plural) in NÃªlÃªmwa and Zuanga is generally not marked by inflectional morphology. NP number is marked by demonstrative determiners which also mark definiteness. Numeration makes obligatory use of numeral classifiers (sortal or mensural) which classify count nouns into various ontologies. The subcategorisation of nouns into mass and count is precisely displayed by these two features: mass nouns are unmarked for number and uncountable, they always appear as bare nouns and may only be quantified, only count nouns are marked for number by demonstrative determiners and are of course countable. Demonstrative determiners and numerals appear in pre- or post-NP positions, i.e. in specifier or modifier positions. These positions correlate with pragmatics and discourse informational properties: pre-NP specifiers mark salient or referentially new entities, while post-NP modifiers encode referentially backgrounded entities. Numerals follow this pattern, in specifier position, they also have partitive reading.
Chapter 8. When number meets classification
Authors: Cobbinah Alexander , Lüpke Friederike
Published: March 2014

This paper presents an account of number marking in two BaÃ¯nounk languages, GubÃ«eher and Gujaher, also taking data from the BaÃ¯nounk language GuÃ±aamolo into account. Number distinctions in these languages are coded epiphenominally through the paradigmatic relationships and combinatorial semantics of prefixes and roots within the nominal classification system. In addition, number can be marked through a dedicated plural suffix of the form -VÅ‹. In line with observations made for Bantu and other Atlantic languages, we analyse number marking within the noun class system (and, to some extent also through the number suffix) as derivational, not inflectional. Additionally, we demonstrate that number values do not reside in noun class prefixes themselves, but arise through the paradigmatic relationships holding between prefix and root and between prefix-root combinations in a paradigm. This account goes against a widespread analytical template of assigning singular and plural values to prefixes and assuming number correspondences between them.
Chapter 12. Number and numerals in Zande
Authors: Pasch Helma
Published: March 2014

In Zande singular and plural are distinguished morphologically on nouns, pronouns and verbs, but nouns and pronouns can also be marked for associative plural. While some number-mismatch can be observed with regard to the choice of pronouns in possessive constructions, number marking with regard to nouns follows transparent rules. The quantification of referents by a universal quantifier or by numerals can be expressed within the noun phrase as part of given information or from a post-predicate position as new information with an adverbial notion. Numerals and the universal quantifier are also used as self- standing adverbials and as bare nominals in the function of the predicates.
Chapter 13. Numerals in Papuan languages of the Greater Awyu family
Authors: de Vries Lourens
Published: March 2014

Numeral systems of the Greater Awyu family of Papuan languages are the topic of this paper. Extended body-part systems that employ the fingers, parts of the arm and head are used by most languages in this family. Body-part based numeral systems of this type are only found in parts of New Guinea and Australia and are therefore of great interest for the typology of numeral systems. They are closed systems, with 23, 25 or 27 as highest number in the languages of the Greater Awyu family. They are also interesting because of the role of conventional gestures to distinguish the primary body-part meaning from the secondary numeral meaning. The extended body-part systems are used in combination withelementary numerals for 1 to 4 that are not derived from body-parts. One subgroup of the Greater Awyu family, the Awyu subgroup, uses a hands-and-feet system which they borrowed from their neighbours. Such systems differ radically from extended body-part systems: they distinguish base and derived numbers, they are in principle open-ended (without a highest number) and they are not restricted to New Guinea. The paper describes the cultural contexts in which thenumeral systems of the Greater Awyu family function and pays attention to the interaction with borrowed Indonesian numerals.
Prefecture-level economic conditions and risk of suicide in Japan: a repeated cross-sectional analysis 1975–2010
Authors: Suzuki Etsuji , Kashima Saori , Kawachi Ichiro , Subramanian S. V.
Published: March 2014

Background: Geographical inequalities in suicide have risen dramatically across 47 prefectures in Japan since 1995. We sought to examine temporal changes in the associations between prefecture-level economic conditions and completed suicide during the recent 35 years, controlling for individual composition in each prefecture. Methods: Based on quinquennial vital statistics and census data from 1975 to 2010, we analysed the entire population aged 25–64 years. The total number of suicides was 87 553 men and 34 559 women. As indicators of prefecture-level economic conditions, we used average yearly income, average savings and income inequality (measured by Gini coefficients for yearly income). For each sex, we estimated odds ratios and 95% credible intervals for suicide using multilevel logistic regression models, with cells at level 1, years at level 2 and prefectures at level 3. Results: Even after adjusting for individual age, occupation and time trends, low average savings at prefecture level were associated with a higher risk of suicide among men (odds ratio in low vs. high savings: 1.13, 95% credible interval: 1.05–1.21), whereas no clear patterns were observed with other economic indicators. When we further examined the associations in year-specific models by conducting a two-level analysis, both average yearly income and average savings were inversely associated with suicide risk in recent years. No clear association was found between income inequality and suicide risk for either sex. Conclusion: The present findings suggest that low area socioeconomic status may be driving the growing geographical inequalities in suicide in Japan, primarily among men.
Authoritarianism in Black and White: Testing the Cross-Racial Validity of the Child Rearing Scale
Authors: Pérez Efrén O. , Hetherington Marc J.
Published: March 2014

Using a scale of child rearing preferences, scholars find that African Americans are far more authoritarian than Whites. We argue that this racial gap in authoritarianism is largely a measurement artifact. The child rearing scale now used to measure authoritarianism is cross-racially invalid because it draws heavily on a metaphor about hierarchy. Akin to someone who favors enforcing conformity in a child, the authoritarian is thought to be inclined toward enforcing conformity in social subordinates. In both cases, one's perspective is drawn from a position of relative power. We believe this metaphor is effective among members of a majority racial group becauseindividualdominance at home meshes withgroupdominance in society. For members of a racial minority, we believe this metaphor breaks down. Using multi-group confirmatory factor analysis, we establish that Blacks and Whites construe the child rearing items differently. Consequently, authoritarianism correlates highly with the things it should for Whites, but rarely so for Blacks. Using an illegal immigration experiment, we then show divergent patterns of intolerance based on the same child rearing scale. Our results highlight measurement's role in producing large racial gaps in authoritarianism, while illuminating the racial boundaries of the child rearing scale.
An Analysis of Cochlear Implant Distortion from a User’s Perspective
Authors: Jacobson Barry D.
Published: March 2014

We describe our first-hand experience with a cochlear implant (CI), being both a recent recipient and a hearing researcher. We note the promising loudness, but very unpleasant distortion, which makes understanding speech difficult in many environments, including in noise, on the phone or through the radio. We also discuss the extreme unpleasantness of music, which makes recognizing familiar melodies very difficult. We investigate the causes of the above problems through mathematical analysis and computer simulations of sound mixtures, and find that surprisingly, the culprit appears to be non-biological in origin, but primarily due to the envelope-based signal processing algorithms currently used. This distortion is generated before the signal even enters the cochlea. Hence, the long-held belief that inter-electrode interference or current spreading is the cause, appears incorrect. We explain that envelope processing may have been originally instituted based on an inaccurate understanding of the role of place coding vs. temporal coding, or alternatively, because of an incorrect analogy to radio modulation theory. On the basis of our analysis, we suggest immediate concrete steps, some possibly in firmware alone, that may lead to a much improved experience.
Biodesalination: A Case Study for Applications of Photosynthetic Bacteria in Water Treatment
Authors: Amezaga Jaime M. , Amtmann Anna , Biggs Catherine A. , Bond Tom , Gandy Catherine J. , Honsbein Annegret , Karunakaran Esther , Lawton Linda , Madsen Mary Ann , Minas Konstantinos , Templeton Michael R.
Published: March 2014

Shortage of freshwater is a serious problem in many regions worldwide, and is expected to become even more urgent over the next decades as a result of increased demand for food production and adverse effects of climate change. Vast water resources in the oceans can only be tapped into if sustainable, energy-efficient technologies for desalination are developed. Energization of desalination by sunlight through photosynthetic organisms offers a potential opportunity to exploit biological processes for this purpose. Cyanobacterial cultures in particular can generate a large biomass in brackish and seawater, thereby forming a low-salt reservoir within the saline water. The latter could be used as an ion exchanger through manipulation of transport proteins in the cell membrane. In this article, we use the example of biodesalination as a vehicle to review the availability of tools and methods for the exploitation of cyanobacteria in water biotechnology. Issues discussed relate to strain selection, environmental factors, genetic manipulation, ion transport, cell-water separation, process design, safety, and public acceptance.
Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate
Authors: Selvanayagam S. , Sridhar B. , Kathiravan S. , Raghunathan R.
Published: March 2014

In the title indole derivative, C22H21NO4, the dihedral angle between the benzene and pyrrole rings of indole moiety is 1.8 (1)°. The plane of the 4-methoxyphenyl ring is oriented with a dihedral angle of 60.7 (1)° with respect to the plane of the indole moiety. The molecular packing is stabilized by C—H...O hydrogen bonds which form a V-shaped chain arrangement along thebcplane of the unit cell. In addition to this, C—H...π and π–π interactions [centroid–centroid distances = 3.8102 (11) and 3.8803(12) Å], which run along theb-axis direction, stabilize the molecular packing.
2-Carboxylatopyridinium–4-nitrophenol (1/1)
Authors: Sankar A. , Ambalatharasu S. , Peramaiyan G. , Chakkaravarthi G. , Kanagadurai R.
Published: March 2014

In the title 1:1 adduct, C6H5NO3·C6H5NO2, both molecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023 Å for 4-nitrophenol and 2-carboxylatopyridinium, respectively). The pyridine molecule crystallizes as a zwitterion (nominal proton transfer from the carboxylic acid group to the N atom in the ring). In the crystal, inversion dimers of the zwitterions linked by pairs of N—H...O hydrogen bonds generateR22(10) loops; two 4-nitrophenol molecules link to the dimer by O—H...O hydrogen bonds, generating a four-molecule aggregate. These are linked by C—H...O interactions, forming a three-dimensional network.
Three-dimensional coherent diffractive imaging on non-periodic specimens at the ESRF beamline ID10
Authors: Chushkin Y. , Zontone F. , Lima E. , De Caro L. , Guardia P. , Manna L. , Giannini C.
Published: March 2014

The progress of tomographic coherent diffractive imaging with hard X-rays at the ID10 beamline of the European Synchrotron Radiation Facility is presented. The performance of the instrument is demonstrated by imaging a cluster of Fe2P magnetic nanorods at 59 nm 3D resolution by phasing a diffraction volume measured at 8 keV photon energy. The result obtained shows progress in three-dimensional imaging of non-crystalline samples in air with hard X-rays.
Agri‐environmental auctions for phosphorus load reduction: experiences from aFinnish pilot
Authors: Iho Antti , Lankoski Jussi , Ollikainen Markku , Puustinen Markku , Lehtimäki Jonne
Published: March 2014

We examine environmental auctions on working agricultural lands. We organized a discriminatory auction where farmers were asked to make bids on spreading gypsum on their fields to reduce phosphorus loads to surface waters. The parcel‐specific bids were ranked based on their load reduction–compensation ratios. To assess load reductions, we built an environmental benefit index (EBI) based on three factors:P‐status of the soil (phosphorus available for crops), field slope and location with respect to waterways. As the per tonne price of gypsum delivery from the factory was higher for small quantities, the auction format allowed bundling of field parcels to reduce transportation costs. We evaluate auction's ability to target the environmental (or abatement) measures to field parcels with the highest load reduction potential and analyse the economic efficiency of the auction by comparing the pilot auction with simulated bidding behaviour and with hypothetical flat rate payment schemes. The pilot auction targeted the environmental measures effectively. It was also more efficient than a flat rate payment, even when the flat rate scheme was combined with anEBIeligibility criterion.
Analysis of Positive Control STR Experiments Reveals that Results Obtained for FGA, D3S1358, and D13S317 Condition the Success Rate of the Analysis of Routine Reference Samples
Authors: Murigneux Valentine , Dufour Anne‐Béatrice , Lobry Jean R. , Pène Laurent
Published: March 2014

About 120,000 reference samples are analyzed each year in the Forensic Laboratory of Lyon. A total of 1640 positive control experiments used to validate and optimize the analytical method in the routine process were submitted to a multivariate exploratory data analysis approach with the aim of better understanding the underlying sources of variability. The peak heights of the 16 genetic markers targeted by the AmpFℓSTR® Identifiler® STR kit were used as variables of interest. Six different 3130xl genetic analyzers located in the same controlled environment were involved. Two major sources of variability were found: (i) the DNA load of the sample modulates all peak heights in a similar way so that the 16 markers are highly correlated, (ii) the genetic analyzer used with a locus‐specific response for peak height and a better sensitivity for the most recently acquired. Three markers (FGA, D3S1358, and D13S317) were found to be of special interest to predict the success rate observed in the routine process.
A Molecular Method to Correlate Bloodstains with Wound Site for Crime Scene Reconstruction
Authors: Johnson Donald J. , Andersen Cheryl , Scriven Katherine A. , Klein Amberly N. , Choi Mo Re , Carroll Cindy , de Leon Ray D.
Published: March 2014

Bloodstain pattern analysis to determine the wound‐of‐origin of bloodstains is problematic with nonspecific patterns. In this proof‐of‐concept study, the authors examined a molecular approach to correlate bloodstains with injuries using the rat as a model. Specifically, investigations were conducted on the rat brain marker, rno‐miR‐124‐3p, with the QIAGEN miScript System and real‐time PCR analysis. Rno‐miR‐124‐3p was detected in brain homogenates diluted 100,000 times; in 3‐week‐old, room temperature stored, simulated brain–blood stains; and in bloodstains from head gunshot wounds collected with swabs and subsequently frozen for 9–18 months; however, rno‐miR‐124‐3p was not detected in whole blood. Proof‐of‐principle was demonstrated by the ability to distinguish bloodstains from a gunshot wound to the head versus bloodstains from a gunshot wound to the chest, by the testing of otherwise identical bloodstains from the two patterns for the presence of the marker. The results suggest a viable approach to a longstanding problem in casework.
Genome skimming by shotgun sequencing helps resolve the phylogeny of a pantropical tree family
Authors: Malé Pierre‐Jean G. , Bardon Léa , Besnard Guillaume , Coissac Eric , Delsuc Frédéric , Engel Julien , Lhuillier Emeline , Scotti‐Saintagne Caroline , Tinaut Alexandra , Chave Jérôme
Published: March 2014

Whole genome sequencing is helping generate robust phylogenetic hypotheses for a range of taxonomic groups that were previously recalcitrant to classical molecular phylogenetic approaches. As a case study, we performed a shallow shotgun sequencing of eight species in the tropical tree family Chrysobalanaceae to retrieve large fragments of high‐copy number DNA regions and test the potential of these regions for phylogeny reconstruction. We were able to assemble the nuclear ribosomal cluster (nrDNA), the complete plastid genome (ptDNA) and a large fraction of the mitochondrial genome (mtDNA) with approximately 1000×, 450× and 120× sequencing depth respectively. The phylogenetic tree obtained with ptDNA resolved five of the seven internal nodes. In contrast, the tree obtained with mtDNA and nrDNA data were largely unresolved. This study demonstrates that genome skimming is a cost‐effective approach and shows potential in plant molecular systematics within Chrysobalanaceae and other under‐studied groups.
Epigenetic estimation of age in humpback whales
Authors: Polanowski Andrea M. , Robbins Jooke , Chandler David , Jarman Simon N.
Published: March 2014

Age is a fundamental aspect of animal ecology, but is difficult to determine in many species. Humpback whales exemplify this as they have a lifespan comparable to humans, mature sexually as early as 4 years and have no reliable visual age indicators after their first year. Current methods for estimating humpback age cannot be applied to all individuals and populations. Assays for human age have recently been developed based on age‐induced changes in DNA methylation of specific genes. We used information on age‐associated DNA methylation in human and mouse genes to identify homologous gene regions in humpbacks. Humpback skin samples were obtained from individuals with a known year of birth and employed to calibrate relationships between cytosine methylation and age. Seven of 37 cytosines assayed for methylation level in humpback skin had significant age‐related profiles. The three most age‐informative cytosine markers were selected for a humpback epigenetic age assay. The assay has an R2 of 0.787 (P = 3.04e−16) and predicts age from skin samples with a standard deviation of 2.991 years. The epigenetic method correctly determined which of parent–offspring pairs is the parent in more than 93% of cases. To demonstrate the potential of this technique, we constructed the first modern age profile of humpback whales off eastern Australia and compared the results to population structure 5 decades earlier. This is the first epigenetic age estimation method for a wild animal species and the approach we took for developing it can be applied to many other nonmodel organisms.
Genome‐wide association analysis for growth, muscularity and meat quality in Piétrain pigs
Authors: Stratz P. , Wellmann R. , Preuss S. , Wimmers K. , Bennewitz J.
Published: March 2014

Improvement in growth and meat quality is one of the main objectives in sire line pig breeding programmes. Mapping quantitative trait loci for these traits using experimental crosses and a linkage‐based approach has been performed frequently in the past. The Piétrain breed often was involved as a founder breed to establish the experimental crosses. This breed was selected for muscularity and leanness but shows relatively poor meat quality. It is frequently used as a sire line breed. With the advent of genome‐wide and dense SNP chips in pig genomic research, it is possible to also conduct genome‐wide association studies within the Piétrain breed. In this study, around 500 progeny‐tested sires were genotyped with 60k SNPs. Data filtering showed that around 48k SNPs were useable in this sample. These SNPs were used to conduct a genome‐wide association study for growth, muscularity and meat quality traits. Because it is known that a mutation in the RYR1 gene located on chromosome 6 shows a major effect on meat quality, this mutation was included in the models. Single‐marker and multimarker association analyses were performed. The results revealed between zero and eight significant associations per trait with P < 5 × 10−5. Of special interest are SNPs located on SSC6, SSC10 and SSC15.
Delivery room management of extremely low birthweight infants shows marked geographical variations in Italy
Authors: Trevisanuto Daniele , Satariano Irene , Doglioni Nicoletta , Criscoli Giulio , Cavallin Francesco , Gizzi Camilla , Martano Claudio , Ciralli Fabrizio , Torielli Flaminia , Villani Paolo E. , Di Fabio Sandra , Quartulli Lorenzo , Giannini Luigi ,   Neonatal Resuscitation Study Group, Italian Society of Neonatology
Published: March 2014

Aim

To evaluate any geographical variations in practice and adherence to international guidelines for early delivery room management of extremely low birthweight (ELBW) infants in the North, Centre and South of Italy.

Methods

A questionnaire was sent to all 107 directors of Italian level III centres between April and August 2012.

Results

There was a 92% (n = 98) response rate. A polyethylene bag/wrap was used by 54 centres (55.1%), with the highest rate in Northern Italy (77.5%) and the lowest rate in Southern (37.7%) areas. In Northern regions, one centre (2.5%) said it used oxygen concentrations >40% to initiate positive pressure ventilation in ELBW infants. These proportions were higher in the Central (14.3%) and Southern (16.2%) areas. A T‐piece device for positive pressure ventilation was more frequently available in the Northern (95%) units than in those in the Central (66.7%) and Southern (69.4%) regions. A median of 13% (IQR: 5%–30%) of ELBW infants received chest compressions at birth in Italy: 5%, 18% and 22% in Northern, Central and Southern units, respectively.

Conclusion

In Italy, delivery room management of ELBW infants showed marked geographical variations. Implementation of national training programmes could increase adherence to the guidelines and reduce such discordance.
Cholesteatoma has a high prevalence in Turner syndrome, highlighting the need for earlier diagnosis and the potential benefits of otoscopy training for paediatricians
Authors: Lim DBN , Gault EJ , Kubba H , Morrissey MSC , Wynne DM , Donaldson MDC
Published: March 2014

Aim

Girls with Turner syndrome are prone to cholesteatoma, a serious suppurative middle ear disease. We aimed to confirm its high prevalence in Turner syndrome, identify risk factors and suggest possible strategies for earlier detection.

Methods

We reviewed 179 girls with Turner syndrome between 1989 and 2012 to identify cases of cholesteatoma.

Results

Seven girls (3.9%) had cholesteatoma (index girls) and each was compared with three age‐matched girls without cholesteatoma (comparison girls). All the index girls had either the 45,X or 45,X/46X,i(Xq) karyotypes. Nine ears were initially affected, with three recurrences in two girls. Median age at first cholesteatoma presentation was 11.9 years (range: 7.5–15.2), with otorrhoea for three (range: one to seven) months in all 12 affected ears. Index girls had a significantly higher proportion of previous recurrent acute (p = 0.007) and chronic otitis media (p = 0.008), chronic perforation (p = 0.038) aural polyps (p < 0.0001) and tympanic membrane retraction (p = 0.0001) than comparison girls.

Conclusion

Cholesteatoma has a high prevalence in Turner syndrome. Risk factors include 45,X and 46,XiXq karyotypes; a history of chronic otitis media, tympanic membrane retraction and persistent otorrhoea; and older age. Earlier recognition of ear disease is needed and otoscopy training for paediatricians caring for Turner syndrome patients may be beneficial.