bluuebunny/crossref_metadata_2025 huggingface dataset:
Two-Generation Programs and Health
Authors: Glied Sherry , Oellerich Don
Published: February 2015

Parents’ health and children’s health are closely intertwined—healthier parents have healthier children, and vice versa. Genetics accounts for some of this relationship, but much of it can be traced to environment and behavior, and the environmental and behavioral risk factors for poor health disproportionately affect families living in poverty. Unhealthy children are likely to become unhealthy adults, and poor health drags down both their educational attainment and their income.

Because of the close connection between parents’ and children’s health, write Sherry Glied and Don Oellerich, we have every reason to believe that programs to improve parents’ health will improve their children’s health as well. Yet few programs aim to work this way, except for a narrow category of programs that target pregnant women, newborns, and very young children. Glied and Oellerich assess these programs, discuss why there are so few of them, and suggest ways to expand them. Their chief conclusion is that structural barriers in the U.S. health-care system stand in the way of such programs. Some of these barriers have to do with health insurance, access to care, and benefits, but the biggest one is the fact that physicians typically specialize in treating either children or adults, rather than families as a whole. The Affordable Care Act has begun to break down some of these barriers, the authors write, but much remains to be done.
Rethinking Human Rights and Culture Through Female Genital Surgeries
Authors: Krivenko Ekaterina Yahyaoui
Published: February 2015

The article revisits the relationship between culture and human rights through the analysis of one traditionally condemned cultural practice known in human rights law as female genital mutilation. The analysis draws on anthropological and medical literature and demonstrates the importance of interdisciplinary analysis to any inquiry within the area of relationship between culture and human rights. An analogy between the traditional practice of female genital mutilations and the less widely publicized female genital aesthetic surgeries practiced in many Western countries serves as a methodological tool. Laws and attitudes towards both practices are compared, demonstrating many similarities and thus the difficulty of drawing a clear-cut line between a cultural and an a-cultural practice. In this light, human rights’ insistence on condemnation of the practices of the Other exclusively appears as hegemonizing, racializing, and, ultimately, discriminatory in its effects. Some suggestions as to what a more adequate human rights approach could look like are made as well, as the constant necessity for interdisciplinary inquiry in human rights law is emphasized.
Breivik’s Sanity: Terrorism, Mass Murder, and the Insanity Defense
Authors: Jacobsen Colin , Maier-Katkin Daniel
Published: February 2015

Anders Breivik is the right wing terrorist who planted bombs in central Oslo then traveled twenty-five miles to Utoya Island, where he murdered, maimed, and wounded more than 100 people—the children of left-leaning politicians and public officials—at a summer camp associated with the ruling Labor Party. Breivik maintained that the killings were an act of asymmetrical warfare aimed at alerting fellow citizens to the impending Islamization of Norway and beginning a revolution against the “traitorous” liberals who were permitting or encouraging immigration from Muslim countries. Breivik surrendered to authorities at the site of the mass murder, and whether he committed the shooting, killing, and bombing was never in controversy; the only issue at trial was Breivik’s sanity. Psychiatric experts disagreed, leaving the District Court in Oslo with the challenge of determining whether acts rationally related to extreme rightwing political values and beliefs, in a culture with longstanding and deeply rooted right-wing traditions, satisfy the legal understanding of what it means to be deemed not guilty by virtue of insanity.
Who Trusts Local Human Rights Organizations?: Evidence from Three World Regions
Authors: Ron James , Crow David
Published: February 2015

Local human rights organizations (LHROs) are crucial allies in international efforts to promote human rights. Without support from organized civil society, efforts by transnational human rights reformers would have little effect. Despite their importance, we have little systematic information on the correlates of public trust in LHROs. To fill this gap, we conducted key informant interviews with 233 human rights workers from sixty countries, and then administered a new Human Rights Perceptions Poll to representative public samples in Mexico (n = 2,400), Morocco (n = 1,100), India (n = 1,680), and Colombia (n = 1,699). Our data reveal that popular trust in local rights groups is consistently associated with greater respondent familiarity with the rights discourse, actors, and organizations, along with greater skepticism toward state institutions and agents. The evidence fails to provide consistent, strong support for other commonly held expectations, however, including those about the effects of foreign funding, socioeconomic status, and transnational connections.
China and the Uneasy Case for Universal Human Rights
Authors: Zhao Jun
Published: February 2015

The first part of the article examines the Chinese involvement in the preparation of the Universal Declaration of Human Rights, revisiting the opinions expressed by China’s representatives. The second section reviews China’s subsequent engagement with the human rights project in international and domestic contexts, with particular attention to official and academic perspectives on the universality debate. Thirdly, it puts forward some suggestions for moving beyond that debate. It concludes that current discussions of the dilemma of universal rights in a diverse world would benefit from revisiting the concept of legitimate pluralism held by the leading participants in the previous discussions.
The Greatest Missions Never Flown: Anticipatory Discourse and the “Projectory” in Technological Communities
Authors: Messeri Lisa , Vertesi Janet
Published: February 2015

This article introduces the concept of the sociotechnical projectory to explore the importance of future-oriented discourse in technical practice. It examines the case of two flagship NASA missions that, since the 1960s, have been continually proposed and deferred. Despite the missions never being flown, it argues that they produced powerful effects within the planetary science community as assumed “end-points” to which all current technological, scientific, and community efforts are directed. It asserts that attention to the social construction of technological systems requires historical attention to how actors situate themselves with respect to a shared narrative of the future.
Literary Borderlessness and Crossings: Marie HéLène Poitras’s Early Fictions
Authors: Schaal Michèle A.
Published: February 2015

Marie Hélène Poitras, a contemporary author from Quebec, has published several works of fiction. Her versatility has enabled her to develop an original and thoroughly literary fiction. However, her narratives have not yet, to my knowledge, received any academic attention. My article aims at reviewing the significance, and particularity, of Poitras’s oeuvre for contemporary francophone literature, especially as developed in her fist two publications: Soudain le Minotaure and La Mort de Mignonne . Thematically and aesthetically, her writing borrows from international literature, as well as artistic forms as diverse as popular music and visual art. Consequently, I argue that Poitras first two books build on borderlessness and/or boundary crossing. The first section will be devoted to Soudain le Minotaure and will explore how Poitras crosses cultural and aesthetic borders, particularly with her protagonists’ relationship with foreign cultures and her use of synesthesia. The second part will focus on La Mort de Mignonne and its aesthetic borderlessness, especially through the use of intertextuality with fairy tales as well as fables and intermediality with popular music.
Annie Ernaux Ph-Auto-Bio-Graphe
Authors: Bacholle-Bošković Michèle
Published: February 2015

Cet article constitue le deuxième volet d’une étude sur l’entreprise ph-auto-bio-graphique ernalienne où l’écrivaine ouvre, au moyen de photos visuelles, un espace autobiographique différent, usant de sa vie personnelle à des fins impersonnelles, collectives. J’examinerai le dialogue qui s’établit entre des photos tirées de son album familial et des extraits de son journal intime dans Écrire la vie (2011) et des extraits de ses livres dans Retour à Yvetot (2013). De ces dialogues se dégage une réflexion encore plus poussée sur le moi. Ces deux livres montrent un traitement à la fois différent et complexe du temps, Retour à Yvetot restant ancré dans le passé (mais un passé à la dimension mythique) alors que dans Écrire la vie Ernaux parvient à saisir d’un même mouvement le moi passé, présent et futur. En combinant les deux sources intimes que sont les photos et le journal, elle saisit en effet et le moi physique et le moi psychique et traduit simultanément la permanence et la mutabilité du moi.
Impact of Sex on the Prognostic Value of High-Sensitivity Cardiac Troponin I in the General Population: The HUNT Study
Authors: Omland Torbjørn , de Lemos James A , Holmen Oddgeir L , Dalen Håvard , Benth Jūratė Šaltytė , Nygård Ståle , Hveem Kristian , Røsjø Helge
Published: February 2015

BACKGROUND

A new, high-sensitivity assay for cardiac troponin I (hs-cTnI) permits evaluation of the prognostic value of cardiac troponins within the reference interval. Men have higher hs-cTnI concentrations than women, but the underlying pathophysiological mechanisms and prognostic implications are unclear. The aim of this study was to assess the potential impact of sex on the association between hs-cTnI and cardiovascular death.

METHODS

By use of the Architect STAT High-Sensitive Troponin assay, we measured hs-cTnI in 4431 men and 5281 women aged ≥20 years participating in the prospective observational Nord-Trøndelag Health Study (HUNT).

RESULTS

hs-cTnI was detectable in 98.5% of men and 94.7% of women. During a mean follow-up period of 13.9 years, 708 cardiovascular deaths were registered. hs-cTnI was associated with the incidence of cardiovascular death [adjusted hazard ratio (HR) per 1 SD in log hs-cTnI 1.23 (95% CI 1.15–1.31)], with higher relative risk in women than men [HR 1.44 (1.31–1.58) vs 1.10 (1.00–1.20); Pinteraction < 0.001]. This finding was mediated by both lower risk associated with low hs-cTnI concentrations in women than in men and higher risk associated with high concentrations of hs-cTnI in women than in men. Male sex was associated with a higher risk of cardiovascular death [HR 1.28 (1.11–1.49)], but after adjustment for hs-cTnI, this association disappeared [HR 0.87 (0.75–1.02)].

CONCLUSIONS

The prognostic value of hs-cTnI concentrations in the general population is stronger in women than in men. Subtle impairment of cardiovascular status may contribute to higher hs-cTnI concentrations in men, reflecting sex-dependent differences in cardiovascular risk.
Rural Property Rights, Migration, and Welfare in Developing Countries
Authors: Pi Jiancai , Zhou Yu
Published: February 2015

Two-sector general equilibrium models are built to investigate how the quality of rural property rights influences rural-urban migration and national welfare in developing countries. In the basic model where the urban wage rate is exogenously given, the impacts of strengthened rural property rights on rural-urban migration and national welfare are determined by comparisons of the rent-gaining effect and the productivity-enhancing effect. Specifically, if the rent-gaining effect dominates the productivity-enhancing effect, strengthened rural property rights will increase the number of rural-urban migrants and reduce national welfare. Otherwise, the opposite impacts are exerted if the productivity-enhancing effect dominates the rent-gaining effect. When we extend the basic model by considering the endogenously determined urban minimum wage rate, the urban minimum wage determination mechanism is also of great importance in determining the outcomes of the basic model. When we extend the basic model by introducing an urban informal sector, the value of labor’s marginal product of the urban informal sector also plays a role in determining the impact of strengthened rural property rights on national welfare. In addition, urban unemployment is also taken into account by the basic and extended models.
Treatment of arrhythmias by external charged particle beams: a Langendorff feasibility study
Authors: Prall Matthias , Lehmann H. Immo , Prokesch Hannah , Richter Daniel , Graeff Christian , Kaderka Robert , Sonnenberg Karin , Hauswald Henrik , Weymann Alexander , Bauer Julia , Constantinescu Anna , Haberer Thomas , Debus Jürgen , Szabó Gábor , Korkmaz Sevil , Durante Marco , Packer Douglas L. , Bert Christoph
Published: February 2015

Hadron therapy has already proven to be successful in cancer therapy, and might be a noninvasive alternative for the ablation of cardiac arrhythmias in humans. We present a pilot experiment investigating acute effects of a
Evaluation of standardization capability of current cardiac troponin I assays by a correlation study: results of an IFCC pilot project
Authors: Tate Jillian R. , Bunk David M. , Christenson Robert H. , Barth Julian H. , Katrukha Alexey , Noble James E. , Schimmel Heinz , Wang Lili , Panteghini Mauro , for the IFCC Working Group on Stand
Published: February 2015

As a part of an International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) project to prepare a commutable reference material for cardiac troponin I (cTnI), a pilot study evaluated current cTnI assays for measurement equivalence and their standardization capability.

cTnI-positive samples collected from 90 patients with suspected acute myocardial infarction were assessed for method comparison by 16 cTnI commercial assays according to predefined testing protocols. Seven serum pools prepared from these samples were also assessed.

Each assay was assessed against median cTnI concentrations measured by 16 cTnI assays using Passing-Bablok regression analysis of 79 patient samples with values above each assay’s declared detection limit. We observed a 10-fold difference in cTnI concentrations for lowest to highest measurement results. After mathematical recalibration of assays, the between-assay variation for patient samples reduced on average from 40% to 22% at low cTnI concentration, 37%–20% at medium concentration, and 29%–14% at high concentration. The average reduction for pools was larger at 16%, 13% and 7% for low, medium and high cTnI concentrations, respectively. Overall, assays demonstrated negligible bias after recalibration (y-intercept: –1.4 to 0.3 ng/L); however, a few samples showed substantial positive and/or negative differences for individual cTnI assays.

All of the 16 commercial cTnI assays evaluated in the study demonstrated a significantly higher degree of measurement equivalence after mathematical recalibration, indicating that measurement harmonization or standardization would be effective at reducing inter-assay bias. Pooled sera behaved similarly to individual samples in most assays.
Superhydrophobic conductive wood with oil repellency obtained by coating with silver nanoparticles modified by fluoroalkyl silane
Authors: Gao Likun , Lu Yun , Li Jian , Sun Qingfeng
Published: February 2015

A simple and effective method for preparing superhydrophobic conductive wood surface with super oil repellency is presented in this paper. Silver nanoparticles (Ag NPs) were prepared on wood surfaces by the treatment with AgNO3, followed by a reduction treatment with glucose to generate a dual-size surface roughness. Further modification of the surface coated with Ag NPs with a fluoroalkyl silane led to a superhydrophobic surface with water contact angle of 155.2°. This surface is also super repellent toward motor oil with the maximal contact angles around 151.8°. Interestingly, the dense Ag NPs coating on the surface is electrically conductive. The presented multifunctional coating could be a commercialized for various applications, especially for self-cleaning and biomedical electronic devices.
Preparation of electrode for electric double layer capacitor from electrospun lignin fibers
Authors: You Xiangyu , Koda Keiichi , Yamada Tatsuhiko , Uraki Yasumitsu
Published: February 2015

Lignin-based activated carbon fibers (ACFs) were prepared by electrospinning of hardwood acetic acid lignin (HW-AAL) solution followed by thermostabilization, carbonization, and steam activation. The thermostabilization process was able to be remarkably shortened from 38 h to 3 h with hexamethylenetetramine (hexamine) in binary solvents, AcOH/CCl4 (8/2), when compared with conventional thermostabilization processes. The resultant ACFs possessed higher specific surface area (2185 m2 g-1) than those from commercial activated carbon and electrospun lignin fibers without hexamine. These ACFs also exhibited good electrical capacitance (133.3 F g-1 at a current density of 1 A g-1) as electrodes of electric double layer capacitor (EDLC) are efficient not only due to their large surfaces area but also due to their porous structure with well-developed micropores (diameter: 0.5–1.3 nm). High energy density and power density of this EDLC (42 Wh kg-1 and 91 kW kg-1
, respectively) were also achieved.
Discounting and Criminals’ Implied Risk Preferences
Authors: Mungan Murat C. , Klick Jonathan
Published: February 2015

Conventional wisdom holds that potential offenders are more responsive to increases in the certainty than increases in the severity of punishment. In standard law enforcement models, this assumption implies that criminals are risk seeking. We add to the existing literature by showing that offenders who discount future monetary benefits can be more responsive to the certainty rather than the severity of punishment, even when they are risk averse, and even when their disutility from imprisonment rises proportionally (or more than proportionally) with the length of the sentence.
The Submillimeter-wave Spectrum of Propyne, CH3CCH
Authors: Müller Holger S. P. , Thorwirth Sven , Bizzocchi Luca , Winnewisser Gisbert
Published: February 2015

The ground state rotational spectrum of propyne has been studied in selected regions between 509 and 820 GHz spanning the quantum numbers 29
Static and Dynamic Structure of AU2Cl6, AUAlCl6 and AuFeCl6 Clusters
Authors: Akdeniz Z. , Tosia M. P.
Published: February 2015

Fourfold coordination of trivalent metal ions by chlorines in molecular dimers changes from tetrahedral in Al2 Cl6 and Fe2Cl6 to planar in Au2Cl6. Within an ionic model we interpret this transition in the stable molecular shape as due to the quadrupolar polarizability of the gold(III) ion. We also demonstrate within the same model that a mixed tetrahedral-planar coordination is stable in AUAlCl6 and AuFeCl6 clusters. Quantitative comparisons are presented for the calculated molecular structures and vibrational frequencies against the available experimental data from crystalline diffraction and from Raman spectra of the crystal and of vapours.
Estimating and Approximating the Total π-Electron Energy of Benzenoid Hydrocarbons
Authors: Gutman I. , Koolen J. H. , Moulto V. , Parac M. , Soldatović T. , Vidović D.
Published: February 2015

Lower and upper bounds as well as approximate formulas for the total π-electron energy (E) of benzenoid hydrocarbons are deduced, depending only on the number of carbon atoms (n) and number of carbon-carbon bonds (to). These are better than the several previously known (n, m)-type estimates and approximations for E.
Explanation of the g-factors and Hyperfine Structure Constants of Co2+ in Tetragonal K2ZnF4
Authors: Zheng Wen-Chen , Wu Shao-Yi
Published: February 2015

The formulas of the g-factors gII , g┴ and the hyperfine structure constants AII.A┴ for 3d7 ions in tetragonal octahedral crystals are established from a cluster approach. Differing from previous formulas, in these formulas the role of configuration interaction (CI)-and covalency (CO)-effects is considered, and the parameters related to both effects are obtained from the optical spectra and the structural parameters of the studied crystal. From these formulas, the EPR parameters gi and Ai for K2 ZnF4 :Co2+ are calculated. The results show good agreement with the observed values. The contributions to the EPR parameters gi and Ai, from the CI and CO effects, and the relationship between the sign of Δg(=g┴ - gII) and the tetragonal distortion (elongated or compressed) of the ligand octahedron are discussed
Mean Amplitudes of Vibration of the Novel [ReFBr5]2- Anion
Authors: Baran E. J.
Published: February 2015

Mean amplitudes of vibration of the recently described square-bipyramidal [ReFBr5]2- anion have been calculated from vibrational spectroscopic data, over a wide temperature range. The results are briefly discussed in relation with its structural peculiarities and some comparisons with related species are made
Stabilization of Chaotic Systems with Phase Coupling
Authors: Hardy Yorick , Steeb W.-H. , Villet C. M.
Published: February 2015

We study phase coupled chaotic systems. Using the Kronecker product we derive a recurrence relation for calculating the Ljapunov exponents of the phase coupled system. We investigate whether phase coupling can be used to control dynamical systems with chaotic behaviour.
Higher Dimensional Integrable Models from Lower Ones via Miura Type Deformation Relation
Authors: Lou Sen-yue , Yu Jun , Tang Xiao-yan
Published: February 2015

To find nontrivial high dimensional integrable models (especially in (3+1)-dimensions) is one of the most important problems in nonlinear physics. A systematic method to find some nontrivial high dimensional integrable models is established by means of noninvertible deformation relations. Starting from a noninvertible Miura type transformation, we find that the (1+1)-dimensional sinh-Gordon model appearing in many physical fields is a deformation of the (0+1)-dimensional Riccati equation. A high dimensional Miura type deformation (including two different (3+1)-dimensional reductions) of the heat conduction equation is proved to be Painlevé integrable. Some special types of explicit exact solutions, like multi-plane and/or multi-camber soliton solutions, multi-dromion solutions and multiple ring soliton solutions, are obtained.
Rekonstruktion der Leitfähigkeitsverteilung mit einem Impedanztomographen
Authors: Mrakawa C. , Schilcher K. , Schuhfried G.
Published: February 2015

We have built an electrical impedance tomograph which makes it possible to reconstruct impedance distributions in the interior of a cylinder by means of measurements of currents and potentials on its boundary. The reconstuction algorithm is based on Newton's algorithm for the solution of non-linear integral equations, where the electric fields are calculated by the methods of finite elements and finite integrals. The results can be represented graphically on a PC. The resolution is fine enough to envisage applications in medical diagnostcs.
Remarks on Local Energy and Perturbations
Authors: Marmorino M. G.
Published: February 2015

The local energy is first reviewed and compared with the expected energy. We then present the perturbative local energy method which uses an exactly soluble base problem and a perturbing potential to greatly simplify the expression of the local energy. This is demonstrated with two-electron atoms for which the method gives upper bounds with errors from 18% for He to 4% for Ne8+. Finally a call to develop a local energy method for large systems is issued.
DTA and p VT Measurements on 4-cyanobenzyI-5- (4-n-octyloxybenzoyloxy)-2-undecyloxybenzoate up to 250 MPa and 383 K
Authors: Würflinger A. , Weissflog W.
Published: February 2015

The phase diagram of 4-cyanobenzyl-5-(4-«-octyloxybenzoyloxy)-2-undecyloxybenzoate (4CNOUB) has been established with differential thermal analysis (DTA). The pressure range for the smectic A phase is limited, resulting in a triple point at 165 MPa and 378.26 K. p, Vm, T data have been measured for the smectic and istotropic phases of 4CNOUB between 243 and 383 K and up to 250 MPa. The volume changes accompanying the crystal - smectic and scmectic - isotropic transitions have been deter-mined. The corresponding enthalpy changes have been calculated using the Clausius-Clapeyron equation. The p, Vm, T data enable also to estimate the volume entropy for the smectic - isotropic transition and the volume dependence of the clearing temperature.
Polarized Chirped Soliton Oscillations in a Lossy Elliptically Low Birefringent Optical Fiber
Authors: Mahmood M. F.
Published: February 2015

Using a variational method, a new model of the nonlinear propagation of optical solitons generated from semiconductor lasers through a lossy elliptically low birefringent fiber, is presented within the frame-work of a system of coupled nonlinear Schroedinger (CNLS) equations. This model demonstrates polarized soliton oscillations in a lossy elliptically low birefringent fiber.
AC Conduction Mechanism in Perovskite-like Dimers (C2H8NO)2M2X6, M=Co/Cu, X=Cl/Br
Authors: Montasser S.S. , Mostafa M. F.
Published: February 2015

AC conductivities at 5 Hz-10 kHz and 78 K up to room temperature of bis- (ethanolammonium) Co2X6, and bis- (ethanolammonium) Cu2X6, X=C1 and Br are reported. At high temperatures, band type conduction prevails for all dimers. In the low temperature range T< 200 K the (Co2Br6)-2 dimer conducts via small polarons and the other three dimers conduct via quantum mechanical tunneling. The obtained relaxation times for the different dimers were found to be 1.1 • 10-14 s. The frequency dependence follows the universal power law σac (ω) = Aωs
. The exponent s and the pre-factor A were found to be very sensitive to the phase transitions, with 5 showing a minimum or maximum at the transition temperature. Changes in the conduction mechanism are reflected by abrupt changes in the variation of the pre-factor A vs 1/T relation. The conduction is found to depend on the type of the halide ion rather than on the transition metal ion.

PACS #76, 74.
Dielectric Dispersion of New Ferroelectric Cobalt Halide Dimers: Bis-ethanolammonium-hexahalocobaltate, (C 2 H 8 NO) 2 Co 2 X 6 , X = CI/Br
Authors: Mostafa M. F. , Arafat S. S.
Published: February 2015

The AC conductivity in the frequency range 5.0 Hz -10.0 kHz, the magnetic susceptibility in a field of 14.7 and 17.8·104 A/m, and differential thermal analysis at 78 K up to room temperature for bis-(ethanolammonium)Co2X6,,X = CI and Br are reported. The bromide dimer undergoes an order-disorder transition at 302 K and a displacive type ferroelectric transition at T ~ 220 K. The chloride dimer shows two transitions, the first being in a displacive ferroelectric one at T ~ 210 K showing critical slowing down. The second phase transition, occuring at 282 K, is found to be inactive in the electric measurements.
The Use of Quantum Chemical Semiempirical Methods to Calculate the Lattice Energies of Organic Molecular Crystals. Part I: The Three Polymorphs of Glycine
Authors: Raabe Gerhard
Published: February 2015

A method to calculate the lattice energies of organic molecular crystals is described. It is based on the semiempirical quantum chemical MINDO/3 approximation but might also be used within the framework of any other quantum chemical method. The lattice energy is approximated by the sum of dispersion-, induction-, exchange repulsion-, and electrostatic energy. Different, however, from other schemes employed in this field, like for example the atom-atom-potential method, the variables in the expression for the lattice energy have not been fitted to reproduce experimental values and, therefore, the single contributions retain their original physical meaning. Moreover, the method offers the advantage that it may be directly applied to all compounds that can be treated within the framework of the underlying quantum chemical method. Thus, time consuming readjustment of the entire parameter set upon extension of the group of target molecules by another class of compounds becomes obsolete. As an example, the lattice energies of the three polymorphs of glycine are calculated.
Pressure Effects on the Thermal Z/E Isomerization of 4-(Dimethylamino)-4'-nitroazobenzene in a Liquid Polymer. A Comparison of Dynamic Solvent Effects in Polymerie and Monomeric Solvents
Authors: Shuto Akinori , Shuto Akinori , Ohga Yasushi , Asano Tsutomu , Saitoa Hirokazu , Matsuoa Kohei , Lüdemann Hans-Dietrich
Published: February 2015

Effects of pressure on the thermal Z/E isomerization of4-(dimethylamino)-4'-nitroazobezene were studied in a silicon oil at various temperatures. The results were compared with the ones previously obtained in glycerol triacetate (GTA) and 2-methylpentane-2,4-diol (MPD).Even in the polymer, pressure effects expected from the transition state theory were obtained at low pressures (P < 200 MPa).However, as in GTA and MPD, the transition state theory became invalid at higher pressures. For the polymeric liquid, the macroscopic shear viscosity obviously does not suffice for a quantitative description of the microscopic frictions between the reactant and the solvent molecules.
Ab initio Molecular Orbital Calculations of Reduced Partition Function Ratios of Polyboric Acids and Polyborate Anions
Authors: Oi Takao
Published: February 2015

Molecular orbital calculations at the HF/6-3 lG(d) level were carried out for polyboric acids and poly-borate anions up to a pentamer to estimate their 11B -to-10B isotopic reduced partition function ratios (RPFRs) and examine the additivity of logarithms of RPFRs. Approximate RPFR-values calculated by the use of the additivity agreed with exact RPFR-values within a margin of 1% error. This error was equivalent to a 5% error on ln(RPFR). The equilibrium constants of mono boron isotope exhange reac-tions between three-coordinate boron and four-coordinate boron ranged from 1.0203 to 1.0360 at 25 °C, indicating the importance of exact evaluation of RPFRs of polymers.
Dielectric Spectroscopy of Solutions of Some Alkylammonium Salts in Chloroform and 1-Octanol
Authors: Elsebrock R. , Stockhausen M.
Published: February 2015

Dielectric loss spectra between 1 MHz and 36 GHz have been measured at 20°C for solutions of hexadecyl trimethylammonium bromide and chloride, tetrahexylammonium bromide and tetrabutylam-monium bromide in chloroform and 1-octanol (three solutes per solvent) at moderate and high concen-trations. The discussion is aimed at identifying relaxation processes involving ions. Describing the relax -ational part of the spectra (after subtraction of the conductivity contribution) by a sum of spectral com-ponents, the lowest frequency component can be attributed to the solute in all cases. Its concentration dependence is indicative of two ionic relaxation processes differing in physical nature. The solvent is partly involved in those processes; moreover a structure breaking effect is likely to occur in case of the alcoholic solvent. The results are also discussed in comparison with a molten alkylammonium salt and with solutions of this and of inorganic salts.
The Local Temperature Dependence of Fluorescent Centres in PVA Films on the Excitation Wavenumber
Authors: Kawski A. , Bojarski P. , Kukliński B.
Published: February 2015

The temperature difference ΔT = T* -T (where T* is the local temperature and T the ambient tem-perature) is studied as a function of the excitation wavenumber v̂̃cxc in the longwave region of the absorption band of 4-amino-4'-nitrostilbene (ANS) and 4-dimethylamino-4'-nitrostilbene (DNS) as well as rhodamine S, rhodamine 6G and Na-fluorescein in poly(vinyl alcohol) (PVA) films heated up to 403 K. Local temperatures T* are determined by a universal Kennard-Stepanov relation. A linear dependence of ΔTon v̂̃cxc has been found for all investigated luminescent compounds. For dyes, due to the big spectral overlaps between the absorption and fluorescence bands, it was possible to excite also in the anti-Stokes region. In this case for ΔT = 0, i.e. when T* = T, one has v̂̃cxc . = V()-() . In view of the slow geometrical relaxation of excitation energy excess in PVA polymers, the relaxation time τR for thermal equilibration between the luminescent molecule and the vicinal polymer exceeds distinctly the mean fluorescence lifetime τF.
Pressure-Temperature Phase Diagrams for four 4,4'-Dialkylbiphenyl Compounds
Authors: Urban Stanisław , Massalska-Arodź Maria , Würflinger Albert , Czupryński Krzysztof
Published: February 2015

Cm-Cn

The high pressure phase behaviour of four 4,4'-dialkylbiphenyl compounds (, m = 5, 6,7, n = 6, 7) has been studied with differential thermal analysis. The pressure dependence of the phase transitions has been determined up to 200 MPa. In one substance a pressure limited and in another a pressure induced phase was observed. Volume changes accompanying the transitions to the isotropic phase were calculated using the Clausius-Clapeyron equation and the enthalpy changes from DSC measurements at 1 atm. They are compared with the data for other two-ring compounds.
Role of Dielectric Medium on a Nematogen. A Statistical Approach Based on Quantum Mechanics and Computer Aided Modelling
Authors: Ojha Durga Prasad , Pisipati V. G. K. M.
Published: February 2015

ECCP

A statistical analysis has been carried out to determine the configurational preferences of a pair of 5-(4-ethylcyclohexyl)-2-(4-cyanophenyl) pyrimidine () molecules. The CNDO/2 method has been employed to evaluate the net atomic charge and atomic dipole components at each atomic centre of the molecule. The configurational energy has been computed using the Rayleigh-Schrödinger perturbation theory. The total interaction energies obtained by these computations were used to calculate the probability of each configuration in vacuum and in a dielectric medium (benzene) at the phase transition temperature using the Maxwell-Boltzmann formula. On the basis of stacking, in-plane and terminal interaction energy calculations, all possible geometrical arrangements of the molecular pair have been considered. An attempt has been made to explain the nematogenic behavior of liquid crystals and thereby develop a molecular model for liquid crystallinity.
Resonance Topology and Related Aspects of Fluoranthenoid / Fluorenoid and Indacenoid Hydrocarbon Radicals
Authors: Cash Gordon G. , Dias Jerry Ray
Published: February 2015

Data on the number of resonance structures of free radical polycyclic conjugated hydrocarbons are tabulated and studied. The first examples of fluoranthenoid / fluorenoid and indacenoid polyradical systems are presented. Some comparative generalizations between benzenoid free radicals and fluoranthenoid / fluorenoid and indacenoid polyradical systems are formulated. For example, there is a tendency of these latter even-carbon nonalternant hydrocarbons to have fewer radical isomers compared to the former alternant hydracarbons. Examples where Fowler's leapfrog algorithm identifies the more stable fluorenoid anion and indacenoid dianion isomer are presented.
Pure Rotational Spectroscopy of Sodium Chloride, NaCl, up to 930 GHz
Authors: Caris M. , Lewen F. , Winnewisser G.
Published: February 2015

The pure rotational spectra of both isotopomers of NaCl, i. e. 23Na35Cl and 23Na37Cl, have been recorded in high resolution with the Cologne terahertz spectrometer. A total of 189 new rotational lines have been measured in the frequency region between 200 and 930 GHz. Twenty nine of these transitions are assigned for Na35Cl to the vibrational ground state with J < 72, and 102 lines arise from vibrationally excited states up to the 5th vibrational state: ν = 5̅. For Na37Cl a total of 58 rotational lines with J ≤ 76 and ν ≤ 4 could be detected. The newly measured lines were fitted together with the published microwave and millimeter-wave transitions to obtain a refined and extended set of molecular parameters: Na35Cl: B0 = 6513.04908(41) MHz, D0 = 9.338978(141) kHz, H0 = -1.0433(144) mHz and Na37Cl: B0 = 6373.74158(66) MHz, D0 = 8.943327(185) kHz, H0 = -0.9623(162) mHz.

From the experimental data the equilibrium constants Be, α, γ, De, β, δ, He and ε are calculated as well. The refined parameters for both isotopomers allow precise frequency predictions to be made far into the terahertz region. Thus this new and highly precise data set for NaCl is intended to support future astrophysical observations.
Entangled Quantum States and the Kronecker Product
Authors: Steeb Willi-Hans , Hardy Yorick
Published: February 2015

C

Entangled quantum states are an important component of quantum computing techniques such as quantum error-correction, dense coding and quantum teleportation. We determine the requirements for a state in the Hilbert space ⊗ Cn
for m, n ∈ N to be entangled and a solution to the corresponding “factorization” problem if this is not the case.We consider the implications of these criteria for computer algebra applications.
Extremal Chemical Trees
Authors: Fischermann Miranca , Gutman Ivan , Hoffmann Arne , Rautenbach Dieter , Vidovića Dušica , Volkmann Lutz
Published: February 2015

A variety of molecular-graph-based structure-descriptors were proposed, in particular the Wiener index W. the largest graph eigenvalue λ1, the connectivity index X, the graph energy E and the Hosoya index Z, capable of measuring the branching of the carbon-atom skeleton of organic compounds, and therefore suitable for describing several of their physico-chemical properties. We now determine the structure of the chemical trees (= the graph representation of acyclic saturated hydrocarbons) that are extremal with respect to W , λ1, E, and Z. whereas the analogous problem for X was solved earlier. Among chemical trees with 5. 6, 7, and 3k + 2 vertices, k = 2,3,..., one and the same tree has maximum λ1 and minimum W, E, Z. Among chemical trees with 3k and 3k +1 vertices, k = 3,4...., one tree has minimum 11 and maximum λ1 and another minimum E and Z .
Surface Wave Propagation in Thin Silver Films under Residual Stress
Authors: Njeh A. , Schneider D. , Fuess H. , Ghozlen M. H. Ben
Published: February 2015

Investigations using surface acoustic waves provide information on the elastic properties of thin films. Residual stresses change the phase velocity of the surface waves. We have calculated the phase velocity and dispersion of surface waves in thin silver films with a strong [111]-fibre texture. A non-linear description of surface waves propagating along the [110]-direction of the substrate has been developed on the basis of an acoustoelastic theory, taking into account residual stresses. The relative change Δc/c of the velocity v was found to be linear for large excitation frequencies. The dispersion curves were measured using a photoacoustic method. For sputtered polycrystalline thin silver films we found good agreement between the experimental and calculated dispersion curves for frequencies up to 225 MHz
Rotational Spectra of Fluorodiacetylene and Fluorotriacetylene Produced by Electrical Discharge
Authors: Dreizler Helmut , Mata Santiago , Lesarri Alberto , López Juan C. , Blanco Susana , Alonso José L.
Published: February 2015

The rotational spectra of discharge produced 13C isotopomers of fluorodiacetylene were recorded with high sensitivity to improve the centrifugal distortion analysis. Stimulated by the sensitivity attained by the spectrometer the investigation was extended to detect the hitherto unknown fluorotriacetylene. The spectrum of a linear molecule was found, which with high probability belongs to fluorotriacetylene
Thermodynamics of SmCl3 and TmCl3: Experimental Enthalpy of Fusion and Heat Capacity. Estimation of Thermodynamic Functions up to 1300K
Authors: Rycerz L. , Gaune-Escard M.
Published: February 2015

Heat capacities of solid SmCl3 and TmCl3 were measured by differential scanning calorimetry in the ternperature range from 300 K up to the respective melting temperatures. The heat capacity of liquid SmCl3 was also investigated. These results were compared with literature data and fitted by a polynomial temperature dependence. The temperature coefficients were given. Additionally, the enthalpy of fusion of SmCl3 was measured. Furthermore, by combination of these results with the literature data on the entropy at 298.15 K, S0
m(LnCl3, s, 298.15 K) and the standard molar enthalpy of formation of Δform H0
m(LnCl3,s, 298.15 K), the meruiodynaniic functions were calculated up to T = 1300 K.
Excitation Wavelength Dependence of ACRYLODAN Fluorescence Spectra in Some Polar Solvents
Authors: Kawski A. , Bojarski P. , Kukliński B.
Published: February 2015

The fluorescence of ACRYLODAN (6-acryloyl-2-dimethylamino-naphtalene) consists of two bands in liquid polar solvents like 1,2-dichloroethane, N,N-dimethylformamide, or acetonitrile. The intensity ratio of long emission (LE) and short emission (SE) bands, LE/SE, depends on the excitation wavelength. For λexe = 420 nm only LE band appears. The observed two fluorescence bands of ACRYLODAN in polar solvents containing trace amounts of water originate from two different components: LE of ACRYLODAN and SE of the product resulting from hydrolysis back to 2-dimethylaminonaphtalenic acid.
Physical Properties of Substituted Imidazolium Based Ionic Liquids Gel Electrolytes
Authors: Sutto Thomas E. , De Long Hugh C. , Trulove Paul C.
Published: February 2015

The physical properties of solid gel electrolytes of either polyvinylidene diflurohexafluoropropylene or a combination of polyvinylidene hexafluoropropylene and polyacrylic acid, and the molten salts 1-ethyl-3-methylimidazolium tetrafluoroborate, 1,2-dimethyl-3-n-propylimidazolium tetrafluoroborate, and the new molten salts 1,2-dimethyl-3-n-butylimidazolium tetrafluoroborate, and 1,2-dimethyl-3-n-butylimidazolium hexafluorophosphate were characterized by temperature dependent ionic conductivity measurements for both the pure molten salt and of the molten salt with 0.5 M Li+ present. Ionic conductivity data indicate that for each of the molten salts, the highest concentration of molten salt allowable in a single component polymer gel was 85%, while gels composed of 90%molten salt were possible when using both polyvinylidene hexafluorophosphate and polyacrylic acid. For polymer gel composites prepared using lithium containing ionic liquids, the optimum polymer gel composite consisted of 85% of the 0.5 M Li+/ionic liquid, 12.75% polyvinylidene hexafluoropropylene, and 2.25% poly (1-carboxyethylene). The highest ionic conductivity observed was for the gel containing 90%1-ethyl-3-methyl-imidazolium tetrafluoroborate, 9.08 mS/cm. For the lithium containing ionic liquid gels, their ionic conductivity ranged from 1.45 to 0.05 mS/cm, which is comparable to the value of 0.91 mS/cm, observed for polymer composite gels containing 0.5 M LiBF4 in propylene carbonate.
Bond Phase Determination of HOMO/LUMO and ‘Ethylene’ in Benzenoid Hydrocarbons
Authors: Morikawa Tetsuo , Narita Susumu , Shibuyaa Tai-ichi
Published: February 2015

Classical valence theory suggests the existence of strongly localized bonds (double bonds), i.e., of ethylene-like molecules, in benzenoid hydrocarbons (molecular graphs Bs); such an ‘ethylene’ is an edge in a hexagon that contacts with three hexagon faces in B. The phase of a bond is defined as the sign either plus for bonding or minus for antibonding. By use of perturbation molecular orbital theory we conclude that the phase of each bond that meets at the ethylene has necessarily the minus sign in HOMOof B; the bond phase alters in HOMO and LUMO of B.
Rivlin-Ericksen Fluid in Tube of Varying Cross-section with Mass and Heat Transfer
Authors: El Dabe Nabil T. , Moatimid Galal M. , Ali Hoda S. M.
Published: February 2015

In this paper, the problem of heat and mass transfer due to the steady motion of a Rivlin- Ericksen fluid in tubes of varying cross-section is considered. Suction at tube walls is taken into account. Under the assumption that the deformations of the boundaries are small, the equations of motion have been solved by using a perturbation technique. The temperature and concentration distributions are obtained. The effects of various physical parameters are discussed. The Nusselt and Sherwood numbers are obtained. A set of figures for a quantitative illustration is presented.
Conductivity and Permittivity Studies in the Diluted Perovskite System [(NH3)(CH2)6(NH3)]FexZn1-xCl4, x=1, 0.8, 0.5, and 0
Authors: Mostafa M. F. , AbdelKader M. M. , Arafat S. S.
Published: February 2015

The dielectric permittivity and AC conductivity of the perovskite-like system [(NH3)(CH2)6(NH3)]FexZn1-xCl4 (HDAFxZ1-x), where x=1, 0.8, 0.5 and 0, were measured at different frequencies in the temperature range 100 K<T<430 K. At temperatures below 273 K, for x=1 the material exhibits a transition at (245±1) K, while for x=0 transitions at (155±5) K, (220±4) K and (255±2) K were found. A rotational-type transition in the range 295 - 305 K was found for the Fe-containing materials. Ferroelectric transitions were observed in the high temperature region for all four concentrations. Differential thermal scanning confirmed the existence of the phase transitions above room temperature. The conductivity decreases with Zn addition, an the conduction mechanism varies with the temperature and concentration. Extrinsic conduction prevails for T<150 K for all concentrations. At intermediate temperatures an Arrhenius relation with frequency dependent activation energy (ΔE=0.46 - 0.06 eV) is observed for Fecontaining materials. The frequency dependent conductivity for all materials has a linear response following the power law: σac=A(T) ·ωS(T) with the exponent s varying with temperature and composition. At high temperatures, for Zn-rich materials series type conduction with s ∼ 0.6±0.1 is identified, while for Fe-rich materials band type conduction prevails. In the low temperature region ionic hopping prevails.
Local Compressibility of Cr3+-centered Octahedron of Spinal Crystal
Authors: Zheng Wen-Chen , Wu Shao-Yi
Published: February 2015

The local (or polyhedron) compressibility of the Cr3+ -centered octahedron in spinal crystal is studied from the pressure-induced R-line shift. The result suggests that the local compressibility is about 0.6 of the compressibility of the host spinel crystal. This local compressibility is also consistent with that obtained from the pressure-induced shift of the 4T2 band and can be regarded as reasonable.
Scaling Relation For The Energy Levels Of A Hydrogen Atom At High Pressures
Authors: Varshni Y. P.
Published: February 2015

The effect of high pressure on a hydrogen atom has frequently been simulated by enclosing the atom in an impenetrable spherical box. It is shown that for such a confined hydrogen atom placed at the centre of a spherical box a simple scaling relation exists between the energy and the radius of the confining box for 1s, 2p, 3d, and 4f levels, and another similar relation exists for 2s, 3p, and 4d levels.
The Studies of Geometrical Microstructure of Tetragonal Co2+-VO Centers in KNbO3 and KTaO3 Crystals from EPR Data
Authors: Zheng Wen-Chen , Wu Shao-Yi
Published: February 2015

From the perturbation formulas for the EPR ɡ factors g|| and g⊥ of a 3d7 ion in tetragonal octahedral crystal field based on a cluster approach, the geometrical microstructures of tetragonal Co2+-VO centers in KNbO3 and KTaO3 crystals are obtained by fitting the calculated g|| and g⊥ to the observed values. It is found that the Co2+ ion in Co2+-VO centers is displaced away from the oxygen vacancy VO by 0.3 Å in KNbO3 and by 0.29 Å in KTaO3. These results are comparable with those of Fe3+-VO centers in ABO3 perovskite-type crystals obtained fromboth the shell-model simulations and the embedded-cluster calculations, and from theoretical studies of EPR data. The experimental values of g|| and g⊥ for the tetragonal Co2+-VO centers in both crystals are also explained reasonably.