bluuebunny/crossref_metadata_2025 huggingface dataset:
PPP‐VB Theory of π‐Electron Systems: Electron Delocalization, Molecular Symmetry, and Resonance
Authors: Paldus Josef , Li Xiangzhu
Published: November 2013

Relying on a semiempirical Pariser‐Parr‐Pople (PPP) model, it is shown that classical valence bond (VB) theory, using only a few covalent structures, can provide highly correlated energies and wave functions and thus a useful description of a molecular electronic structure, assuming that it is based on appropriate overlap‐enhanced atomic orbitals. Approximating the σ‐energy contribution by a quasi‐harmonic empirical potential, this model provides a faithful yet simple and transparent explanation of the interplay between electron derealization or resonance effects and the π‐electron localization tendency leading to bond length alternation in various π‐electron systems possessing aromatic, nonaromatic, or antiaromatic characters.
Mixed Quantum/Classical Molecular Dynamics Simulations of Chemical Reactions in Clusters and in Solids
Authors: Benny Gerber R. , Alimi Roger
Published: November 2013

An overview is given of a recent method for dynamical simulations of many‐atom systems, which incorporates also important quantum effects. The method treats a few pertinent degrees of freedom (e.g., a light atom) by time‐dependent wavepackets and all the other coordinates by classical trajectories. The classical and quantum subsystems are coupled in this approach by a hybrid quantum/classical Time‐Dependent Self‐Consistent Field (TDSCF) approximation. The properties, validity, range, and limitations of this method are discussed, and numerical tests of its accuracy are presented for simple model systems. The method is illustrated by applications to photodissociation of HI molecules in solid Xe and in Xe clusters of different sizes. The scope of potential applications, open problems, and possible directions of extending the method are discussed.
The Effect of a Protein Environment on the Proposed Activation Mechanism of the Histamine H2‐Receptor
Authors: Haaksma Eric , Timmerman Hendrik , Weinstein Harel
Published: November 2013

Lack of information on the molecular structures of receptor proteins hampers the development of an understanding of their mechanisms. Small molecular models have served in the study of discrete details of such mechanisms, but receptor processes like recognition and activation take place in the protein environment of the receptor which may have a role in the process. To learn about the possible role of the protein environment in these mechanisms, we followed a heuristic approach in which models are used that range from small molecular complexes to macromolecular environments that model the receptors. The underlying assumption in such modelling is that similar elements of secondary structure, present in the model proteins as well as in the receptors, will make similar contributions to the molecular mechanism in which they function. We report the results of computational simulations of the activation mechanisms in a model protein environment used to study the effect of the protein structure on the proposed activation mechanism of the H2‐receptor of the neurotransmitter histamine. The Protein Data Bank was searched for a protein of known structure that could serve as a model for a macromolecular environment of the histamine H2‐receptor, based on a series of requirements defined by findings from our previous work on small molecular complexes modelling recognition and activation mechanisms in that receptor. The enzyme citrate synthase, E.C. 4.1.3.7, was found to contain the structural elements necessary for such a model. The activation mechanism simulated inside this protein consists of two proton transfer steps: one from the receptor to the neurotransmitter and another from it to a different site of the receptor. Quantum chemical methods were used to calculate the energetics of the proton transfers inside the protein structure represented as a collection of point charges and polarizable dipoles included in the Hamiltonian. The energetic contribution from polarization, as well as the interaction of the proton transfer system with the helix dipoles, is found to affect the proton transfer mechanism. The results suggest protein engineering approaches that can be used to modulate receptor activity by specific changes in the protein structure.
Relationship between Lieb and Wu Approach and Standard Configuration Interaction Method for the B−2u State of the Hubbard Model of Benzene
Authors: ČÍŽEK Jiří , Hashimoto Katsufumi , Paldus Josef , Takahashi Mitsuo
Published: November 2013

It is shown that starting from Lieb and Wu equations, written explicitly for the B−2u state of the Hubbard model of benzene π‐electron system, one can extract the corresponding configuration interaction matrix in which the states associated with the “hidden” symmetry are already factored out.
Electronic‐Vibrational Spectroscopy of Large van der Waals Molecules
Authors: Ben‐Horin Narda , Even Uzi , Jortner Joshua
Published: November 2013

In this paper we focus on the electronic‐vibrational spectra of tetracene · A1 (A = Ar, Kr, Xe) heteroclusters, which provide information on the intermolecular nuclear motion of a rare‐gas atom on the microsurface of a large aromatic molecule. Calculations of the energy levels and nuclear Franck‐Con‐don factors for the excitation of the parallel and perpendicular intermolecular vibrations in the electronic S0 → S1 excitation of heteroclusters were performed. The experimental energetic and intensity data for the perpendicular intermolecular nuclear excitation are well accounted for by our calculations. This study provides some information regarding the potential surfaces of large heteroclusters in electronically excited states, which are important for the elucidation of the spectroscopy, nuclear motion, and isomerization dynamics of large aromatic molecule · (rare gas)n heteroclusters.
Quantum Correlations and Cyclic Structures
Authors: Brändas Erkki J.
Published: November 2013

This article is a tribute to Professor Ruben Pauncz on his septuagenary. We discuss the close connection between the theory of quantum correlations and near cyclic structures in theoretical chemistry. A brief review of the essential transformation properties in condensed matter physics is given and some suggestions for the future are indicated.
Preoperative therapeutic apheresis for severe medically refractory amiodarone‐induced thyrotoxicosis: A case report
Authors: Yamamoto Jennifer , Dostmohamed Hanifa , Schacter Isanne , Ariano Robert E. , Houston Donald S. , Lewis Brenda , Knoll Colleen , Katz Pamela , Zarychanski Ryan
Published: November 2013

Introduction: Amiodarone is associated with thyroid dysfunction and life‐threatening thyrotoxicosis. In medically refractory cases, or where medical therapy is contraindicated, thyroidectomy may be required. To decrease perioperative thyroid storm and to reduce overall surgical risk, apheresis may be considered preoperatively to restore euthyroidism. Case Description: We report a 46‐year‐old female with a history of cardiac arrhythmia and tachycardia‐induced cardiomyopathy for which she received amiodarone. Months after discontinuation of amiodarone, the patient presented with wide complex tachycardia and symptoms of thyrotoxicosis. Laboratory testing confirmed severe thyrotoxicosis which was subsequently refractory to medical therapy. Total thyroidectomy was required. Following a total of 10 apheresis treatments, thyroid hormone levels were reduced to near normal levels and the patient's symptoms improved. Thyroidectomy was performed without intraoperative or postoperative complication. Discussion: In the setting of life‐threatening, medically refractory amiodarone‐induced thyrotoxicosis, therapeutic apheresis can effectively reduce thyroid hormone levels and restore a state of clinical and biochemical euthyroidism. J. Clin. Apheresis 29:168–170, 2014. © 2013 Wiley Periodicals, Inc.
Novel L‐DOPA‐Derived Poly(ester amide)s: Monomers, Polymers, and the First L‐DOPA‐Functionalized Biobased Adhesive Tape
Authors: Manolakis Ioannis , Noordover Bart A. J. , Vendamme Richard , Eevers Walter
Published: November 2013

The synthesis, characterization, and testing of a range of novel bio‐inspired L‐DOPA‐derived poly(ester amide)s is presented, using a widely applicable, straightforward chemistry. A model system is used to study and establish the monomer and polymer synthetic protocols, and to provide a set of optimum reaction conditions. It is further shown that fully biobased L‐DOPA‐containing adhesive tapes can be fabricated, which are positively evaluated in terms of their adhesive properties. The newly developed synthetic protocol constitutes a versatile platform for accessing and tailoring a plethora of relevant structures, including a variety of potentially biocompatible poly(ethylene glycol)‐based materials.

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Das elektronische Zündsystem eDev II für Sprengarbeiten im Strecken‐ und Tunnelvortrieb
Authors: Reinders Peter , Hammelmann Frank
Published: November 2013

Das elektronische Zündsystem eDev II ist Teil der neuesten Generation elektronischer Zündsysteme von Orica und ist speziell für die Anwendung im Tunnelbau entwickelt worden. Der erste Teil des Artikels beschreibt die spezifischen Merkmale des Systems, die Systemkomponenten und die Anwendung im Tunnelbau. Im zweiten Teil werden anhand eines Fallbeispiels die Möglichkeiten zur Kontrolle von Sprengerschütterungen sowie zur Erhöhung der Vortriebsleistung aufgezeigt, die sich aus dem Einsatz von modernen Zünd‐ und Sprengstoffsystemen im innerstädtischen Sprengvortrieb ergeben.

The electronic blasting system eDev II for blastings in road heading and tunnelling.

The electronic blasting system eDev II is part of Orica's next generation technology and is specifically developed for tunnelling applications. The first part of the paper describes the specific system features, the system components and the general application in tunnelling. The second part of the paper provides a case study, which shows the possibilities to increase advance and to control vibration, which result from the use of modern initiation systems, explosives and loading systems in inner urban tunnelling.
Einführung des elektronischen Sprengstoffbuchs EXR auf den Bergwerken der RAG
Authors: Skirde Jürgen , Haasler Detlef , Kipp Ramon
Published: November 2013

Mit den Richtlinien 2008/43/EG und 2012/4/EU hat die EU festgelegt, dass spätestens ab 5. April 2013 alle gewerblich genutzten Explosivstoffe eine elektronisch lesbare Kennzeichnung tragen müssen. Die Hersteller werden darin aufgefordert, ihre Produkte mit Barcodes zu versehen und dem Kunden eine Aufstellung der gelieferten Produkte in elektronischer Form zukommen zu lassen. Der Kunde, also der Anwender der Sprengstoffe, ist aufgefordert, eine Bestandsführung für jedes Einzelteil in elektronischer Form ab April 2015 durchzuführen.

Bereits seit April 2013 ist bei der RAG Aktiengesellschaft das SAP‐Programm “Electronic Explosives Registry” (EXR) produktiv. Mit diesem SAP‐Programm ist es möglich, die gesetzlich geforderte Bestandsverfolgung von Sprengstoff, Sprengschnüren und Zündern auf Einzelteilnummernebene durchzuführen. Das Programm ist integrativer Bestandteil des SAP‐Moduls MM. Alle Materialbewegungen werden im Programm dokumentiert, sodass eine Lebenslaufverfolgung des Einzelteils möglich ist.

Introduction of the electronic explosives register in the mines of RAG

With the directives 2008/43/EC and 2012/4/EU, the EU has laid down that all commercially used explosives have to be marked with electronically readable labels from 5 April 2013 at the latest. Manufacturers are required to deliver their products with bar codes and provide the customer a listing of the products supplied in electronic form. The customer, that is the user of the explosives, is required from April 2015 to keep records of each individual item in electronic form.

The SAP program “Electronic Explosives Registry” (EXR) has already been in use at the RAG AG since April 2013. With this SAP program, it is possible to carry out the legally required stock control of explosives, detonating cords and detonators for each individual part number. The program is an integrated part of the SAP module MM. All material movements are recorded in the program, enabling identification of each item through its life cycle.
Difference in normal values of median nerve cross‐sectional area between dutch and indian subjects
Authors: Burg Ellen Walhout‐van , Bathala Lokesh , Visser Leo H.
Published: November 2013

Introduction

Ultrasound (US) measurement of the median nerve cross‐sectional area (CSA) at the wrist is a useful diagnostic test for carpal tunnel syndrome (CTS). We compared median nerve normal values between samples of Indian and Dutch populations. Methods: The median nerve was examined by US at the wrist in 100 healthy volunteers in India and 137 volunteers in The Netherlands using the same protocol. Results: Median nerve CSA at the wrist (7.0 ± 1.1 mm2) in the Indian cohort was lower in comparison to the Dutch cohort (8.3 ± 1.9 mm2; P < 0.05). This difference was still present after controlling for age, height, and weight (P = 0.001). Conclusions: CSA normal values for the median nerve were different between the examined population samples even after correcting for age, height, and weight. This enforces the idea that laboratories around the world should obtain their own normative data. Muscle Nerve 50: 129–132, 2014
Ethyl stearate: ethanol binary mixtures investigated by ultrafast OKE spectroscopy, optical microscopy, dynamic light scattering, and rheology
Authors: Loiola Paula T. C. , Dias Wanderleia D. , Souza Monique S. , Ferbonink Guilherme F. , Zaniolo Matheus G. , Cerini Maria F. , Atvars Teresa D. Z. , Nome Rene A.
Published: November 2013

We report an experimental study of ethyl stearate/ethanol binary mixtures employing optical microscopy, rheology, dynamic light scattering, and femtosecond optical Kerr effect spectroscopy. Optical microscopy images show that at 25 °C this mixture is homogeneous up to 10 wt% ethyl stearate mass fraction and it leads to crystallization of ethyl stearate from solution at higher mass fractions. Rheological measurements at 40 °C and 25 °C exhibited an increase in viscosity of the binary mixture with increasing ethyl stearate mass fraction, consistent with molar mass considerations. Moreover, closer inspection of the rheology data from 0 to 10 wt% ethyl stearate mass fraction indicate a plateau in the viscosity near 10%, thus indicating how crystallization affects the rheological properties of the solution, even at 40 °C. Dynamic light scattering data are consistent with two major components at all mass fractions investigated: a small ethyl stearate aggregate consisting of approximately seven monomers and a micron‐sized crystallite. Femtosecond time‐resolved optical Kerr effect indicates slower nuclear relaxation with increasing ethyl stearate mass fraction, thus suggesting that low‐frequency motions of the binary mixture are involved in the early events of crystal nucleation. Copyright © 2013 John Wiley & Sons, Ltd.
Water‐soluble, biocompatible polyphosphazenes with controllable and pH‐promoted degradation behavior
Authors: Wilfert Sandra , Iturmendi Aitziber , Schoefberger Wolfgang , Kryeziu Kushtrim , Heffeter Petra , Berger Walter , Brüggemann Oliver , Teasdale Ian
Published: November 2013

The synthesis of a series of novel, water‐soluble poly(organophosphazenes) prepared via living cationic polymerization is presented. The degradation profiles of the polyphosphazenes prepared are analyzed by GPC, 31P NMR spectroscopy, and UV–Vis spectroscopy in aqueous media and show tunable degradation rates ranging from days to months, adjusted by subtle changes to the chemical structure of the polyphosphazene. Furthermore, it is observed that these polymers demonstrate a pH‐promoted hydrolytic degradation behavior, with a remarkably faster rate of degradation at lower pH values. These degradable, water soluble polymers with controlled molecular weights and structures could be of significant interest for use in aqueous biomedical applications, such as polymer therapeutics, in which biological clearance is a requirement and in this context cell viability tests are described which show the non‐toxic nature of the polymers as well as their degradation intermediates and products. © 2013 The Authors Journal of Polymer Science Part A: Polymer Chemistry Published by Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 287–294
Ordered nanostructures at two different length scales mediated by temperature: A triphenylene‐containing mesogen‐jacketed liquid crystalline polymer with a long spacer
Authors: Zhu Yu‐Feng , Tian Hai‐Jian , Wu Hong‐Wei , Hao De‐Zhao , Zhou Yu , Shen Zhihao , Zou De‐Chun , Sun Ping‐Chuan , Fan Xing‐He , Zhou Qi‐Feng
Published: November 2013

A mesogen‐jacketed liquid crystalline polymer (MJLCP) containing triphenylene (Tp) moieties in the side chains with 12 methylene units as spacers (denoted as PP12V) was synthesized. Its liquid crystalline (LC) phase behavior was studied with a combination of solution 1H NMR, solid‐state NMR, gel permeation chromatography, thermogravimetric analysis, polarized light microscopy, differential scanning calorimetry, and one‐ and two‐dimensional wide‐angle X‐ray diffraction. By simply varying the temperature, two ordered nanostructures at sub‐10‐nm length scales originating from two LC building blocks were obtained in one polymer. The low‐temperature phase of the polymer is a hexagonal columnar phase (ΦH, a = 2.06 nm) self‐organized by Tp discotic mesogens. The high‐temperature phase is a nematic columnar phase with a larger dimension (a′ = 4.07 nm) developed by the rod‐like supramolecular mesogen—the MJLCP chain as a whole. A re‐entrant isotropic phase is found in the medium temperature range. Partially homeotropic alignment of the polymer can be achieved when treated with an electric field, with the polymer in the ΦH phase developed by the Tp moieties. The incorporation of Tp moieties through relatively long spacers (12 methylene units) disrupts the ordered packing of the MJLCP at low temperatures, which is the first case for main‐chain/side‐chain combined LC polymers with MJLCPs as the main‐chain LC building block to the best of our knowledge. The relationship of the molecular structure and the novel phase behavior of PP12V has implications in the design of LC polymers containing nanobuilding blocks toward constructing ordered nanostructures at different length scales. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 295–304
Synthesis of well‐defined, soluble poly(3‐alkyl‐4‐benzamide) by chain‐growth condensation polymerization
Authors: Ohta Yoshihiro , Karasawa Makoto , Niiyama Tetsurou , Yokoyama Akihiro , Yokozawa Tsutomu
Published: November 2013

Well‐defined poly(3‐alkyl‐4‐benzamide) was synthesized by means of chain‐growth condensation polymerization of phenyl 3‐octyl‐4‐(4‐octyloxybenzyl(OOB)amino)benzoate (1c) from initiator 2, followed by removal of the OOB groups on amide nitrogen of poly1c. Polymerization of 1c with phenyl 4‐(trifluoromethyl)benzoate (2b) in the presence of 1,1,1,3,3,3‐hexamethyldisilazide (LiHMDS) and LiCl in THF at −10 °C gave poly1c with a narrow molecular weight distribution (Mw/Mn ≤ 1.08) and a well‐defined molecular weight (Mn = 4480–12,700) determined by the feed ratio of monomer to initiator (from 10 to 30). The OOB groups of poly1c were removed with H2SO4 to give the corresponding N‐unsubstituted poly(p‐benzamide) (poly1c′) with low polydispersity. The solublity of poly1c′ in polar organic solvents was dramatically higher than that of poly(p‐benzamide), demonstrating that introduction of an alkyl group on the aromatic ring is very effective for improving the solubility of poly(p‐benzamide). © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 360–365
Phosphinated phenols from acid‐fragmentation of bisphenols and their unsymmetrical diamine derivatives for copolyimides
Authors: Lin Ching Hsuan , Hsu Chin Kuang , Wang Meng Wei , Dai Shenghong A. , Juang Tzong Yuan
Published: November 2013

Four novel diamines (9–12) were prepared by a two‐step procedure from phosphinated phenols (1–4) that were prepared from acid‐fragmentation of four bisphenols, including bisphenol A, 4,4′‐isopropylidenebis(2,6‐dimethylphenol), cis(4‐hydroxyphenyl)cyclohexane, and 9,9′‐bis(4‐hydroxyphenyl)fluorene, followed by nucleophilic addition of 9,10‐dihydro‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO). Copolyimides based on (9–12)/4,4′‐diaminodiphenyl ether (ODA)/dianhydride were prepared. The structure‐property relationship on the copolyimides was discussed. Due to the structural similarity, (9)/ODA‐based copolyimides were compared with (10)/ODA‐based copolyimides, while (11)/ODA‐based copolyimides were compared with (12)/ODA‐based copolyimides. The dimethyl substitutents cause (10)/ODA‐based copolyimides to display higher Tg, modulus, dimensional stability, contact angle, and better solubility than (9)/ODA‐based copolyimides. (12)/ODA‐based copolyimides that exhibit fluorene moieties display higher Tg and thermal stability, but a lower contact angle and poorer solubility than (11)/ODA‐based copolyimides that exhibit cyclohexane moieties. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 390–400
Functional 1,3‐benzoxazine bearing 4‐pyridyl group: Synthesis and thermally induced polymerization behavior
Authors: Kawaguchi Asei William , Sudo Atsushi , Endo Takeshi
Published: November 2013

1,3‐benzoxazine 1, bearing 4‐pyridyl moiety on the nitrogen atom, was synthesized from p‐cresol, 4‐aminopyridine, and paraformaldehyde. The efficient synthesis was achieved by adding acetic acid to suppress the strong basicity caused by the presence of 4‐aminopyridine derivatives. Upon heating 1 at 180 °C, it underwent the thermally induced ring‐opening polymerization. The resulting polymer was composed of two types of repeating unit, i.e., (1) Mannich‐type one (‐phenol‐CH2‐NR‐CH2‐) that can be expected from the general ring‐opening polymerization of conventional benzoxazines and (2) a typical phenolic resin‐type one (‐phenol‐CH2‐phenol‐) induced by release of 4‐aminopyridine and paraformaldehyde (unit B). Another structural feature of the polymer was that it possessed a benzoxazine moiety at the chain end. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 410–416
Application of de novo sequencing tools to study abiogenic peptide formations by tandem mass spectrometry. The case of homo‐peptides from glutamic acid complicated by substitutions of hydrogen by sodium or potassium atoms
Authors: Terterov Ivan , Vyatkina Kira , Kononikhin Alexey S. , Boitsov Vitali , Vyazmin Sergey , Popov Igor A. , Nikolaev Eugene N. , Pevzner Pavel , Dubina Michael
Published: November 2013

RATIONALE

Peptides and proteins are among the most important components of living systems. Different attempts have been made to experimentally model the formation of peptides from amino acid monomers in investigation of the origin of life. Detailed characterization of peptides formed under various conditions in such reactions is very important for understanding processes of abiogenic peptide formation.

METHODS

We used liquid chromatography coupled with tandem mass spectrometry (MS/MS) for an accurate study of homo‐peptides formed in a model reaction: glutamic acid oligomerization catalyzed by 1,1'‐carbonyldiimidazole in aqueous solution with 1 M of sodium or potassium chloride and without any salts. We used de novo sequencing software for peptide identification. In addition we propose an approach that uses more spectral information for de novo sequencing then standard methods.

RESULTS

Peptides up to 9 amino acids long were found in the experiments with KCl, while in experiments with NaCl and without salts only peptides of up to 7 amino acids were detected. Due to high salt concentrations in samples a high number of singly charged peptide ions with up to 4 substitutions of hydrogen atoms by sodium or potassium atoms were observed. De novo sequencing software provided correct identifications even for peptide ions with substitutions.

CONCLUSIONS

Multiple substitutions of hydrogen by alkali metal atoms in peptide ions strongly change their fragmentation patterns. Proposed approach for de novo sequencing was found very effective, even for ions with substitutions. So, it may be useful in more complicated cases like sequencing abiogenic peptides consisting of different amino acids. Copyright © 2013 John Wiley & Sons, Ltd.
Mass spectrometric study of thermodynamic properties in the Yb2O3‐ZrO2 system at high temperatures
Authors: Stolyarova Valentina L. , Lopatin Sergey I. , Fabrichnaya Оlga В. , Shugurov Sergey M.
Published: November 2013

RATIONALE

Materials based on the Yb2O3‐ZrO2 system have many industrial applications such as high‐temperature solid electrolytes, ceramics with special properties and most importantly for thermal barrier coatings. As their synthesis and use take place at high temperatures, information on the vaporization processes, thermodynamic properties and phase equilibria of this system at high temperatures is of great importance.

METHODS

Measurements were performed by high‐temperature Knudsen effusion mass spectrometry with a MS‐1301 mass spectrometer. Vaporization was carried out using two tungsten effusion cells containing the sample under study and pure Yb2O3. The values of component activities in the Yb2O3‐ZrO2 system were also calculated using the CALPHAD approach.

RESULTS

The Yb and O vapor species were identified over the samples studied at 2400 K. Using these data the ZrO2 activities, chemical potentials of components and the Gibbs energies of the solid solution formation were calculated in this system. The thermodynamic values were also obtained as the result of modeling of the Yb2O3‐ZrO2 system based on the CALPHAD approach using the data available on the phase diagram of this system and calorimetric measurements only.

CONCLUSIONS

The thermodynamic functions found in the Yb2O3‐ZrO2 system at 2400 K, such as the activities of components and the Gibbs energy of formation, displayed negative deviation from ideality. Mutual agreement was observed between the experimental thermodynamic values and the results of calculations based on the CALPHAD approach. Copyright © 2013 John Wiley & Sons, Ltd.
Generalized Functional Extended Redundancy Analysis
Authors: Hwang Heungsun , Suk Hye Won , Takane Yoshio , Lee Jang-Han , Lim Jooseop
Published: November 2013

Functional extended redundancy analysis (FERA) was recently developed to integrate data reduction into functional linear models. This technique extracts a component from each of multiple sets of predictor data in such a way that the component accounts for the maximum variance of response data. Moreover, it permits predictor and/or response data to be functional. FERA can be of use in describing overall characteristics of each set of predictor data and in summarizing the relationships between predictor and response data. In this paper, we extend FERA into the framework of generalized linear models (GLM), so that it can deal with response data generated from a variety of distributions. Specifically, the proposed method reduces each set of predictor functions to a component and uses the component for explaining exponential-family responses. As in GLM, we specify the random, systematic, and link function parts of the proposed method. We develop an iterative algorithm to maximize a penalized log-likelihood criterion that is derived in combination with a basis function expansion approach. We conduct two simulation studies to investigate the performance of the proposed method based on synthetic data. In addition, we apply the proposed method to two examples to demonstrate its empirical usefulness.
Projecting the Effect of Changes in Smoking and Obesity on Future Life Expectancy in the United States
Authors: Preston Samuel H. , Stokes Andrew , Mehta Neil K. , Cao Bochen
Published: November 2013

We estimate the effects of declining smoking and increasing obesity on mortality in the United States over the period 2010–2040. Data on cohort behavioral histories are integrated into these estimates. Future distributions of body mass indices are projected using transition matrices applied to the initial distribution in 2010. In addition to projections of current obesity, we project distributions of obesity when cohorts are age 25. To these distributions, we apply death rates by current and age-25 obesity status observed in the National Health and Nutrition Examination Survey, 1988–2006. Estimates of the effects of smoking changes are based on observed relations between cohort smoking patterns and cohort death rates from lung cancer. We find that changes in both smoking and obesity are expected to have large effects on U.S. mortality. For males, the reductions in smoking have larger effects than the rise in obesity throughout the projection period. By 2040, male life expectancy at age 40 is expected to have gained 0.83 years from the combined effects. Among women, however, the two sets of effects largely offset one another throughout the projection period, with a small gain of 0.09 years expected by 2040.
Toward understanding the role of body dissatisfaction in the gender differences in depressive symptoms and disordered eating: A longitudinal study during adolescence
Authors: Ferreiro Fátima , Seoane Gloria , Senra Carmen
Published: November 2013

This study was aimed at examining whether body dissatisfaction in early adolescence contributes to the development of gender differences in depressive symptoms and disordered eating across early to mid‐adolescence, testing both a mediation hypothesis (higher levels of body dissatisfaction in girls, provided body dissatisfaction is a predictor of psychopathology beyond the effect of gender) and a moderation hypothesis (more detrimental effect of body dissatisfaction in girls). A community‐based sample initially comprising 882 (49.55% female) adolescents (Mage = 12.85) was followed‐up after 2 and 4 years. Multilevel models were used to analyze the data. Results supported the mediation hypothesis for depressive symptoms and disordered eating, and the moderation hypothesis for disordered eating. Whereas gender differences in depressive symptoms may be simply linked to dissimilar levels of body dissatisfaction in girls and boys, gender differences in disordered eating may arise from both dissimilar levels and effects of body dissatisfaction for each gender.
Use of Double Gloving to Reduce Surgical Personnel's Risk of Exposure to Bloodborne Pathogens: An Integrative Review
Authors: Childs Tammy
Published: November 2013

Surgical team members are known to have a higher incidence of percutaneous injuries compared with other health care workers, which increases surgical personnel's risk both of exposure to bloodborne pathogens and acquiring bloodborne illnesses. The purpose of this integrative review was to determine whether double gloving reduces the surgical team member's risk of percutaneous injury when compared with single gloving. Factors addressed are double gloving versus single gloving, use of an indicator glove system, optimum levels of protection, and policies and procedures to facilitate compliance with double gloving. Evidence supports the use of double gloving and double gloving with an indicator glove system to decrease the risk of percutaneous injury and therefore is an effective barrier to bloodborne pathogen exposure. Perioperative managers and educators should develop educational methods to support double‐gloving compliance; monitor and conduct periodic audits to evaluate compliance; and review and revise quality improvement strategies as necessary to protect surgical employees from percutaneous injuries.
A Hospital‐Wide Initiative to Eliminate Preventable Causes of Immediate Use Steam Sterilization
Authors: Hutzler Lorraine , Kraemer Kandy , Iaboni Lou , Berger Nancy , Bosco Joseph A.
Published: November 2013

Instruments and implants sterilized by immediate use steam sterilization (IUSS), formerly called flash sterilization, can increase the patient's risk for acquiring a surgical site infection. We implemented a hospital‐wide initiative to determine the reasons that perioperative personnel use IUSS to sterilize items and then designed a program to reduce the hospital's rates. Program initiatives included educating perioperative personnel, improving scheduling processes, holding vendor discussions, purchasing additional instrument sets, and transitioning from paper wrap to metal containers for instrument sets. In addition, we instituted a policy whereby nursing leaders are required to approve IUSS before it can be used and developed guidelines for immediate and rapid processing in the sterile processing department, and we monitor compliance daily and communicate results regularly to all team members. These efforts decreased our facility use of IUSS for implants from 10.22% in January 2008 to 0.09% in August 2012, and we decreased our use of IUSS for instruments from 79% in May 2010 to 7.5% in February 2012. We simultaneously implemented a process to reduce surgical site infection rates and saw an improvement in surgical site infection from 5.4% in the first quarter of 2010 to 1.4% in the fourth quarter of 2012.
Endothelial dysfunction after pregnancy‐induced hypertension
Authors: Henriques Ana C.P.T. , Carvalho Francisco H.C. , Feitosa Helvécio N. , Macena Raimunda H.M. , Mota Rosa M.S. , Alencar Júlio C.G.
Published: November 2013

Objective

To carry out long‐term analysis of the presence of endothelial dysfunction after the development of pregnancy‐induced hypertension (PIH).

Methods

In a retrospective cohort study, data were analyzed from 60 women who delivered at a tertiary maternity hospital in Fortaleza, Ceara, Brazil, between 1992 and 2002. Thirty women had a history of PIH and 30 had no history of complications. Anthropometric and laboratory data were collected, and endothelial function was evaluated by flow‐mediated dilatation of the brachial artery. Continuous variables were analyzed via Student t test, and Mann–Whitney test was used to compare means. Clinical and metabolic measures were categorized according to cardiovascular risk by cutoff points determined by national consensus; χ2 and Fisher exact tests were used to compare the groups. Relative risk was calculated for variables that were statistically significant (P < 0.05).

Results

Women with a history of PIH had higher body mass index (P = 0.03), systolic blood pressure (P = 0.03), low‐density lipoprotein cholesterol (P = 0.02), and fasting glucose (P = 0.02) compared with women with no pregnancy complications. The frequency of endothelial dysfunction was 60% among all women, with a significant difference between the 2 groups (P = 0.01).

Conclusion

Women with a history of PIH were found to have a higher frequency of long‐term endothelial dysfunction.
Religious Diversity, Education, and the “Crisis” in State Neutrality
Authors: Berger Benjamin L.
Published: November 2013

Education—and particularly public education—has become a crucible for the relationship between state and religious diversity, a principal site for contemporary debates about the meaning of secularism and the management of religious difference. This is so across a variety of national traditions, and despite wide differences in the historical and “emotional inheritances” surrounding the configuration of law, politics, and religion. Through an exploration of Hannah Arendt’s thought about responsibility and freedom in education, this article works towards a better understanding of why education is such a crucial and fraught field in the modern encounter between religion and law. The article turns to the recent jurisprudence of the Supreme Court of Canada to draw out the implications of these ideas, arriving ultimately at a claim about the nature and limits of the concept of state neutrality.
A systematic review and analysis of data reduction techniques for the CReSS smoking topography device
Authors: De Jesus Stefanie , Hsin Agnes , Faulkner Guy , Prapavessis Harry
Published: November 2013

Introduction: Characterising smoking behaviour in an objective and ecologically valid manner is integral to understanding health complications associated with tobacco use. Smoking topography (ST) provides a representation of the physical attributes of smoking. However, there is no clear guidance on ST data exclusion and reduction techniques and the impact of different techniques.

Methods: A search was conducted using MEDLINE, PubMed, and Scopus and limited to studies published between 2001‒2012. The search identified 23 studies using the CReSS device.

Results: Few studies reported data reduction (n= 9) and exclusion (n= 4) criteria. Four data reduction techniques emerged and were applied to an existing dataset (n= 193, Mage= 38.98, FTND = 5.19, mean 17.23 cigarettes/day). Using repeated measures ANOVA, there were significant (p< 0.05) differences among all techniques for puff volume, peak flow, puff duration and interpuff interval, which were attenuated upon controlling for puff count.

Conclusions: This review highlights the inconsistency in the literature regarding the disclosure of smoking topography data treatment and provides clear evidence that outcomes vary depending on the technique used. Greater transparency is needed and consideration should be given by researchers to the potential impact of methodological decisions on study findings.
Michael Walzer on Resorting to Force
Authors: Orend Brian
Published: November 2013

American political theorist Michael Walzer is a prominent provocative thinker on the morality of warfare. His landmark study, Just and Unjust Wars, remains a modem classic. But we might ask: given that this oft–cited work first appeared in 1977, what, if any, relevance does it have for us today? Consider, for instance, Walzer's controversial account of jus ad bellum, a term traditionally referring to the justice of resorting to war.
A Megamayor for All People? Voting Behaviour and Electoral Success in the 1997 Toronto Municipal Election
Authors: Stanwick Hannah
Published: November 2013

Case studies of municipal elections hold little appeal for students of local government. Recent scholarship for the most part has focused on gender or the election of councillors, but studies of mayoral contests are virtually non–existent. This is somewhat surprising, considering the constituent size of several large Canadian municipalities where local government leaders are directly elected. If indeed local government is the level closest to the people, a study of municipal electoral behaviour in large cities can provide insights about the relationship between local politicians and the electorate.
Morpho-semantic bracketing paradox and compositionality: The implications of the sized inalienable possession construction in Japanese
Authors: FUKUSHIMA KAZUHIKO
Published: November 2013

One challenge to lexical (or, more specifically, morphological) integrity – and more generally to compositionality of meaning – is bracketing paradox. Sized inalienable possession(SIP) in Japanese (e.g. ko-kubi‘small-neck’ in [VP[NPko-kubi-o]kasigeru] ‘small-neck-acctilt’) is an instance of bracketing paradox where morphological bracketing (such as above) and semantic bracketing (below) conflict with each other. Specifically, a prefix likeko- above acts as an adverbial modifier for a VP, not as a nominal modifier (i.e. [VPslightly (ko) [VPneck tilt]] ‘tilt one's neck slightly’). It is proposed that: (a) syntactically, an SIP expression and its ‘host’ verb are collocationally dependent, and (b) Semantically, either argument or adjunct SIP expressions are Montagovian functors. They take (or act upon) a predicate meaning as an argument to give rise to an appropriate interpretation. This has the effect of confining the unusual adverbial modification within SIP expressions. Without additional stipulations, the current proposal solves hitherto unnoticed empirical problems faced by previous syntactic accounts. In doing so, it avoids employing mechanisms contradicting morphological integrity, namely LF movement of a bound morpheme or co-indexing a word-internal element. Thus, at least in the domain of SIP, the current approach enables us to remain faithful to morphological integrity. A broader issue touched upon here is how compositional semantics is accomplished when it is superficially violated as above. This paper shows that strict adherence to iconicity between syntax and semantics is by no means a necessity for compositional semantics.
Semiclassical relativistic fluid theory for electrostatic envelope modes in dense electron–positron–ion plasmas: Modulational instability and rogue waves
Authors: KOURAKIS IOANNIS , MC KERR MICHAEL , UR-RAHMAN ATA
Published: November 2013

A fluid model is used to describe the propagation of envelope structures in an ion plasma under the influence of the action of weakly relativistic electrons and positrons. A multiscale perturbative method is used to derive a nonlinear Schrödinger equation for the envelope amplitude. Criteria for modulational instability, which occurs for small values of the carrier wavenumber (long carrier wavelengths), are derived. The occurrence of rogue waves is briefly discussed.
Early feeding practices and family structure: associations with overweight in children
Authors: Hunsberger Monica
Published: November 2013

The aim of this review is to examine two factors that may be associated with development of childhood overweight: early feeding, namely exclusive breastfeeding practices; family structure. Findings from the Identification and prevention of Dietary- and lifestyle-induced health EFfects In Children and infantS (IDEFICS) study are presented in the context of the literature. IDEFICS is a multi-centre European study exploring the risks for overweight and obesity in children, which recruited 16 224 children aged 2–9 years from September 2007 to June 2008 at survey centres in Italy, Estonia, Cyprus, Belgium, Sweden, Hungary, Germany and Spain. Among the IDEFICS sample, after controlling for confounders, exclusive breastfeeding for 4–6 months was protective of overweight (including obesity) when compared with children never exclusively breastfed (OR 0·73, 95 % CI 0·63, 0·85). Family structure and number of siblings may also be associated with overweight. IDEFICS children without siblings were more likely (OR 1·52, 95 % CI 1·34, 1·72) to be overweight than their peers with siblings when controlling for factors related to childhood overweight such as country, parental education, parental weight, maternal age, child's age, birth weight and gender. Both early feeding practices and family structure play a role in the future development of obesity. The impact of breastfeeding on future development of overweight is dependent upon the dose. Exclusive breastfeeding for the recommended 6 months appears to be protective of overweight. Family structure is also an important component and emerging research suggests only children are at increased risk for overweight in comparison with those with siblings. In European countries, approximately 22 million children are overweight. Early dietary exposures, genetic, environmental and social factors have all been proposed as potential causal factors. Two such factors include exclusive breastfeeding and the impact of being an only child. We have investigated these two factors for associations with overweight; our studies, in the context of previous findings, are the focus of this review.
Dreams, mnemonics, and tuning for criticality
Authors: Pearlmutter Barak A. , Houghton Conor J.
Published: November 2013

According to the tuning-for-criticality theory, the essential role of sleep is to protect the brain from super-critical behaviour. Here we argue that this protective role determines the content of dreams and any apparent relationship to the art of memory is secondary to this.
Dreaming is not controlled by hippocampal mechanisms
Authors: Solms Mark
Published: November 2013

Links with the Humanities are to be welcomed, but they cannot be exempted from normal scientific criteria. Any hypothesis regarding the function of dreams that is premised on rapid eye movement (REM)/dream isomorphism is unsupportable on empirical grounds. Llewellyn's hypothesis has the further problem of counter-evidence in respect of its claim that dreaming relies upon hippocampal functions. The hypothesis also lacks face validity.
REM sleep, hippocampus, and memory processing: Insights from functional neuroimaging studies
Authors: Spoormaker Victor I. , Czisch Michael , Holsboer Florian
Published: November 2013

Neuroimaging studies show that episodic memory encoding is associated with increased activity in hippocampus and lateral prefrontal cortex; however, the latter structure shows decreased activity in rapid eye movement (REM) sleep. Together with few episodic memory traces in REM sleep, and REM sleep deprivation affecting hippocampus-independent emotional processes, this argues for generic information processing in REM sleep rather than linking episodic memory traces.
Elaborative encoding during REM dreaming as prospective emotion regulation
Authors: Westermann Stefan , Paulus Frieder M. , Müller-Pinzler Laura , Krach Sören
Published: November 2013

Rapid eye movement (REM) dreaming results in “emotionally intelligent encoding,” according to the target article. Building on this, we argue that elaborative encoding alters emotional processing of upcoming events and thereby functions as prospective emotion regulation. After elaborative encoding, future events are appraised differently and result in a redirected emotional response. Disturbed elaborative encoding might be relevant for emotional dysregulation in psychopathology.
Learning by doing: the role of financial experience in financial literacy
Authors: Frijns Bart , Gilbert Aaron , Tourani-Rad Alireza
Published: November 2013

In this paper, we examine the impact of financial experience on financial literacy. Exploiting a unique feature of New Zealand, whereby domestic students can obtain interest-free student loans and can fully participate in the national retirement scheme while international students cannot, we employ an instrumental variables approach to identify the causal effect of financial experience on financial literacy. We conduct surveys on a sample of 338 business students and find that there is a positive and causal effect of financial experience on financial literacy. Our results have important implications for financial education programmes and may explain why many of these programmes to date have had limited success.
The effects of audiovisual support on EFL learners’ productive vocabulary
Authors: Hsu Wenhua
Published: November 2013

This study concerned multiple exposures to English before writing and aimed to explore the possibility of an increase in free active vocabulary with a focus on latent productive vocabulary beyond the first 2,000 most frequent words. The researcher incorporated online video into her college freshman composition class and examined its effects on non-basic vocabulary use. To activate previously known vocabulary, a variety of audiovisual modes before writing were applied to four groups alternately: (1) video with captions, (2) video without captions, (3) silent video with captions, and (4) video with screen off (soundtrack only). The results show that the writing involving non-captioned videos contained a higher percentage of advanced vocabulary than that with the other three conditions (specifically, 12.45% versus 11.33% with captioned videos, 5.2% with silent but captioned videos and 8.63% with audio only). Drawing upon the dual-coding theory, this study also points out some pedagogical implications for a video-based writing course.