bluuebunny/crossref_metadata_2025_split huggingface dataset:
Antiparasite treatments reduce humoral immunity and impact oxidative status in raptor nestlings
Authors: Hanssen Sveinn Are , Bustnes Jan Ove , Schnug Lisbeth , Bourgeon Sophie , Johnsen Trond Vidar , Ballesteros Manuel , Sonne Christian , Herzke Dorte , Eulaers Igor , Jaspers Veerle L. B. , Covaci Adrian , Eens Marcel , Halley Duncan J. , Moum Truls , Ims Rolf Anker , Erikstad Kjell Einar 
Published: November 2013

AbstractParasites are natural stressors that may have multiple negative effects on their host as they usurp energy and nutrients and may lead to costly immune responses that may cause oxidative stress. At early stages, animals may be more sensitive to infectious organisms because of their rapid growth and partly immature immune system. The objective of this study was to explore effects of parasites by treating chicks of two raptor species (northern goshawk Accipiter gentilis and white‐tailed sea eagle Haliaeetus albicilla) against both endoparasites (internal parasites) and ectoparasites (external parasites). Nests were either treated against ectoparasites by spraying with pyrethrin or left unsprayed as control nests. Within each nest, chicks were randomly orally treated with either an antihelminthic medication (fenbendazole) or sterile water as control treatment. We investigated treatment effects on plasma (1) total antioxidant capacity TAC (an index of nonenzymatic circulating antioxidant defenses), (2) total oxidant status TOS (a measure of plasmatic oxidants), and (3) immunoglobulin levels (a measure of humoral immune function). Treatment against ectoparasites led to a reduction in circulating immunoglobulin plasma levels in male chicks. TOS was higher when not receiving any parasite reduction treatment and when receiving both endo‐ and ectoparasitic reduction treatment compared with receiving only one treatment. TAC was higher in all treatment groups, when compared to controls. Despite the relatively low sample size, this experimental study suggests complex but similar relationships between treatment groups and oxidative status and immunoglobulin levels in two raptor species.
Subordinate regulatory mode and leader power: Interpersonal regulatory complementarity predicts task performance
Authors: Hamstra Melvyn R. W. , Orehek Edward , Holleman Mark 
Published: November 2013

AbstractThis research examines the implications of locomotion regulatory mode (orientation toward making progress on goals) and assessment regulatory mode (orientation toward critically evaluating alternatives) for employees' performance. Regulatory mode theory suggests that, although these are both integral to self‐regulation, they may also function independently of one another and affect distinct, but equally important, performance aspects. We propose and find that performance of locomotion‐oriented employees is complemented by their leader's expert power (ability to provide superior knowledge and information), whereas performance of assessment‐oriented employees is complemented by their leader's coercive power (ability to administer negative consequences). These findings support the regulatory mode interpersonal complementarity hypothesis and show that complementarity plays a role in self‐regulation of objective performance. Copyright © 2013 John Wiley & Sons, Ltd.
When ideology matters: Moral conviction and the association between ideology and policy preferences in the Israeli–Palestinian conflict
Authors: Reifen Tagar Michal , Morgan G. Scott , Halperin Eran , Skitka Linda J. 
Published: November 2013

AbstractDo people's policy preferences toward outgroups in intractable conflict consistently correspond with political ideology? To what extent are policy‐related cleavages between the political right and left in such contexts fueled by moral conviction and emotions? Analyses of a survey of Jewish‐Israelis (N = 119) conducted immediately after a war between Israelis and Palestinians revealed little to no ideological differences in acceptance of “collateral damage,” support for retribution, or support for compromise when positions about the Israeli–Palestinian conflict were devoid of moral fervor. Those on the left and right endorsed polarized policy preferences only when their positions about the conflict were held with moral conviction. Presence or absence of guilt about harm to Palestinians mediated the effects of moral conviction on policy preferences in this context. Copyright © 2013 John Wiley & Sons, Ltd.
Structural Features of Azurin at 2.7 Å Resolution
Authors: Adman E. T. , Jensen L. H. 
Published: November 2013

AbstractThe phases for the x‐ray data for crystals of azurin from P. aeruginosa have been refined and extended from 3 Å to 2.7 Å resolution by a method based on the direct space averaging of the electron density of the four molecules in the asymmetric unit. The electron density in the present map is much improved over the earlier one, and most of the side‐chains are now evident. In the detailed fitting of a model to the present map, an alternative interpretation, conforming to the plastocyanin model and reversing the chain directions in strands one and two of the original azurin model, was found to better represent certain features of the present map. The surface of the molecule closest to the copper consists of an extended region of invariant or semiconserved hydrophobic residues. There is not a region of conserved charge that is not paired with a compensating charge.
Affinity Labeling of an Electron Transfer Pathway in Azurin by Cr(II) Ions
Authors: Farver Ole , Pecht Israel 
Published: November 2013

AbstractPseudomonas aeruginosa azurin is stoichiometrically reduced by chromium (II) ions to yield a relatively inert chromium (III) complex with azurin. When this derivative is proteolytically digested by either trypsin or chymotrypsin, only a single, yet different peptide labeled with chromium is obtained upon chromatographic separations. Amino acid analysis of these fragments shows that the tryptic peptide consists of residues Val‐80 to Lys‐92, while the chymotryptic peptide consists of the Thr‐84 to Val‐95 fragment. Based on the above findings, the chemical nature of the amino acid side chains of these peptides and the crystallographic model of azurin, it is suggested that the chromium is coordinated to Lys‐85 and Glu‐91. This assignment and the analysis of the three dimensional model of azurin serve in delineating an electron transfer pathway. A resonance transfer from an opening in the peptide sheath to Cu(II) through an extended relay of the aligned imidazoles of His‐35 and His‐46 is proposed.
Metal Ion Interactions with Apo‐Concanavalin A and Some Observations on Metal Ion Requirements and Sugar Binding by Bandeiraea simplicifolia I Lectin
Authors: Harrington Patricia C. , Moreno Rafael , Wilkins Ralph G. 
Published: November 2013

AbstractThe kinetics of interaction of Ca2+ ions with M ConA (M = Co2+, Mn2+, Ni2+ and Zn2+) were followed by using the quenching of fluorescence of 4‐methylumbelliferyl‐α‐D‐mannopyranoside when bound to protein. The kinetic data can be interpreted in terms of a mechanism in which a species (MCaP)1 initially formed (constant K1) transforms slowly (k2) to the final form. Values of k1, ΔH1 and ΔS1 and (particularly) k2, ΔH2≠ and ΔS2≠ are very similar for all metals, but the ΔH2≠‐values are much lower than previously reported by other investigators. The kinetics of binding of 4‐methylumbelliferyl‐α‐D‐galactopyranoside to Bandeiraea simplicifolia I lectin were studied by stopped‐flow fluorescence methods. The formation rate constant (∼ 105 M−1 s−1) is similar to that of sugars with other lectins. EDTA removes the sugar binding ability of B. simplicifolia I lectin with t1/2 = 24 min (pH = 7.2, 25°). The addition of Ca2+ ions to apolectin to give a final product appears controlled by a conformational change.
The pH Dependence of the Spectral and Anion Binding Properties of Iron Containing Superoxide Dismutase from E. Coli B: An Explanation for the Azide Inhibition of Dismutase Activity
Authors: Fee James A. , McClune Gregory J. , Lees Alison C. , Zidovetzki Raphael , Pecht Israel 
Published: November 2013

AbstractExamination of the optical and EPR properties of the ferric form of the iron containing superoxide dismutase from E. coli B, at pH values ranging from 4.5 to 10.9, has revealed two reversible structural transitions affecting the Fe3+ ion. The apparent pKa. values of these transitions are 5.1±0.3 and 9.0±0.3. The binding of azide has been studied over the pH range 4.5 to 10.7; the affinity of the Fe3+ for N3− is independent of pH from 4.5 to ∼ 7.5, after which the dissociation constant decreased by a factor of 10 per unit increase in pH. The apparent pKa. which affects N3− binding to the iron is 8.6±0.2. The association of N3− with the iron has been examined using the temperature‐jump method at pH 7.4 and 9.3. The kinetics of ligand association were shown to conform to the minimal mechanism:magnified imageK1 was found to be essentially unaffected by pH whereas K2 was much lower at pH 9.3 than at 7.4. The value of K1 at pH 7.4 (100 M−1) corresponds very closely to that obtained for the inhibition constant of azide, 10 mM.12 A scheme is presented in which N3− inhibits the iron containing dismutase by competing with O2− for an anion binding site near, but not on the Fe3+.
Products of Class‐Sums of the Symmetric Group: Elimination of Two‐Index Cycles
Authors: Katriel Jacob 
Published: November 2013

AbstractThe present status of the efforts to develop a closed‐form expression for the product of arbitrary class‐sums in the symmetric group is critically reviewed. The relevant data base is extended by determining the full [(7)]N ·[(1)11(2)11 …]n product. The extended data base is used to formulate a conjectured recurrence relation for reduced class coefficients of the general form C〈(r1 + r2)A·(r1 + r2 + … + r1)B〉 in terms of class coefficients in which r1 and r2 are eliminated.
On the Pairing Theorem and Its Extension
Authors: Löwdin Per‐Olov 
Published: November 2013

AbstractThe mirror theorem in matrix theory is briefly reviewed. It says that if R and S are matrices of the order m × n and nxm, then the two products RS and SR have the same nonvanishing eigenvalues with the same multiplicities and canonical structures. The mirror theorem is used to show that if a = {ak} and b = {bl} are two sets of orbitals of order m and n, respectively, then there exist two unitary transformations U and V such that the orbitals a′ = aU and b′ = bV have the special property <ak′ | bl′> = λkδkl, i.e., they are all orthogonal to each other unless they belong to the same pair having k = l. This pairing theorem is of fundamental importance in treating the Coulomb correlation in molecular calculations by means of the so‐called Alternant Molecular Orbital (AMO) method, which uses for the occupied orbitals different orbitals for different spins. A simple extension of this approach to the virtual orbitals is also shown.
PPP‐VB Theory of π‐Electron Systems: Electron Delocalization, Molecular Symmetry, and Resonance
Authors: Paldus Josef , Li Xiangzhu 
Published: November 2013

AbstractRelying 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

AbstractAn 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

AbstractLack 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

AbstractIt 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

AbstractIn 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.
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

AbstractDas 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

AbstractMit 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 RAGWith 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

AbstractIntroductionUltrasound (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
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

ABSTRACTThe 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