bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetische Untersuchungen über Wasserstoffabsorption in α‐Titan
Authors: Hofmann F. , Auer W. 
Published: August 2012

AbstractDie Reaktion H2(g) ⇌ 2H (gelöst) wurde an dünnen Titanproben nach der resistometrischen Meßmethode im Temperaturbereich 500 bis 700°C untersucht. Im Bereich idealer Wasserstofflöslichkeit wird folgendes Geschwindigkeitsgesetz gefunden:(kH,kRGeschwindigkeitskonstante,KAdsorptionskonstante,xHKonzentration gelösten Wasserstoffs in α‐Titan).Dieses Gesetz beschreibt die Dissoziation des H2‐Moleküls für die Hydrierung, die Rekombination zweier Wasserstoffatome für die Dehydrierung als geschwindigkeitsbestimmende Teilschritte. Die Geschwindigkeit der einzelnen Teilschritte wird durch die Konzentration des gelosten Wasserstoffs erniedrigt. — Als Ursache dafür wird ein Segregationsgleichgewicht zwischen gelösten Atomen und Atomen in interstitiellen Reaktionsplätzen in der Oberfläche angenommen. Die Enthalpie dieser Oberflächenanreicherung ist −183 kJ mol−1. Die Aktivierungsenergie der Hinreaktion ist 41,9 kJ mol−1, die der Rückreaktion 84,6 kJ mol−1, hieraus ergibt sich die Reaktionsenthalpie zu −23,9 kJ mol−1. — Bei höheren Temperaturen (T> 700°C) und höheren Konzentrationen wird eine Zunahme der Geschwindigkeit der Hinreaktion beobachtet. Sie kann durch den Zusatzterm exp(GxH/R T ) beschrieben werden, worin G die Gitterdeformationsenergie bedeutet .
Chemisorption of Carbonmonoxide and Oxygen on α‐Iron(III) Oxide
Authors: Berg J. V. D. , Dillen A. J. V. , Driel C. P. V. , Geus J. W. , Oostveen P. C. 
Published: August 2012

AbstractAdsorption at room temperature of carbon dioxide, carbon monoxide, and oxygen on differently pretreated α‐Fe2O3 has been investigated. Pretreatments were evacuation at 23°C, at 325°C, and at 500°C as well as reaction with a limited amount of hydrogen at 275°C and at 500°C. — α‐Fe2O3 evacuated at 23°C only adsorbs a limited amount of carbon dioxide; the adsorption of carbon dioxide is raised by a factor of about 3 by treatment at 325°C. With α‐Fe2O3 pretreated at elevated temperatures both adsorption and reaction of oxygen and carbon monoxide have been studied. — The results indicate that evacuation at elevated temperatures or reduction at 500°C lead to formation of oxygen (surface) vacancies. Into these vacancies oxygen is adsorbed in a state that reacts at 23°C with carbon monoxide in a ratio O2/CO = 1.0. After reaction between adsorbed oxygen and carbon monoxide the surface does not longer exhibit activity at 23°C. It is shown that adsorption and reaction are not due to formation of Fe3O4.
Viscosity Measurements on NaCl in the Temperature Range 1083 — 1473 K
Authors: Abe Yoshiyuki , Kosugiyama Otoya , Nagashima Akira 
Published: August 2012

AbstractThe viscosity of NaCl has been measured with an oscillating‐cup viscometer in the temperature range from 1083 K to 1473 K along the saturation line. The measured viscosity was lower than a currently recommended value by nearly 40%, whereas it was in accordance with other recent experimental results. To evaluate a meniscus effect of the liquid inside the cup on the viscosity, an experimental assessment was made. The results showed no appreciable viscosity change caused by changing the height of the liquid surface. The Stokes‐Einstein equation was further examined for NaCl using the present results. While an excellent agreement between the calculated self‐diffusion coefficient and that of experiment was observed for the cation, the calculated value was systematically lower than the experimental one for the anion.
A Neutron Diffraction Study of a Hydrogen Containing Organic Liquid CHCl3 as an Example
Authors: Bertagnolli H. , Chieux P. 
Published: August 2012

AbstractThe differential cross section of liquid CHCl3, exhibiting pronounced coherent scattering, was measured using polarized neutrons; the double differential cross section was also determined at selected scattering angles. From the spin and non spin flip part the spin incoherent scattering including the inelastic effects could be extracted. After correcting all cross sections for background and absorption multiple scattering was computed taking into account the spin flip at each elementary scattering process. The correction for inelastic effects followed from three methods: from the spin analysis of the spin incoherent part, from the combination of experiments with and without spin analysis and from the zero positions of the intramolecular scattering. The fully corrected coherent cross section was separated into an intra‐ and intermolecular contribution. From the former the structure of the molecule in the liquid was derived, whereas the Fourier transformation of the latter yielded the weighted sum of atom pair correlation functions.
Thermodynamic Investigations of Liquid CsSb Alloys
Authors: Sommer F. , Eschenweck D. , Predel B. , Schmutzler R. W. 
Published: August 2012

AbstractIn order to investigate the thermodynamic properties of liquid CsSb alloys which are exhibiting a metal‐non‐metal‐transition, the mixing enthalpies as well as their temperature dependence up to 25 at.pct. Sb have been determined by drop calorimetry. Also the formation enthalpy of Cs3Sb has been determined by solution calorimetry as to be −101 ± 10 kJ/mol. The melting enthalpy of Cs3Sb amounts to 10.5 ± 0.2 kJ/mol. The mixing enthalpy with its nearly linear concentration dependence is hinting at a complete Cs3Sb formation in the liquid alloy. The experimental results which are not in accordance with a simple ionic model are indicating, that the CsSb bond has a partially covalent character.
Desaktivierungsquerschnitte metastabiler Niveaus von Erdalkaliatomen bei thermischen Stößen mit Argon
Authors: Michel K. W. , Joos V. , Hauser M. , Steinwandel J. 
Published: August 2012

AbstractEin homogenes Gasgemisch aus Erdalkaliatomen (Ca, Sr oder Ba) und Argon in hohem Überschuß wurde hinter der reflektierten Stoßwelle eines gasbetriebenen Membranstoßwellenrohrs sprunghaft auf Temperaturen zwischen 2700 und 4000 K erhitzt. Die Relaxationszeiten für die Bevölkerung der metastabilen Zustände der Erdalkaliatome infolge thermischer Stöße mit Argonatomen wurden mittels zeitaufgelöster integraler Atomlinienabsorptionsspektroskopie bestimmt. Die daraus berechneten Desaktivierungsquerschnitte der metastabilen 3P‐ bzw. 3D‐ und 1D‐Zustände liegen zwischen einigen 10−21 cm2 beim Ca und 10−19 cm2 beim Ba und zeigen keine erkennbare Temperatur‐abhängigkeit. Daraus folgt, daß die Pseudo‐Kreuzung der beiden hier maßgebenden Potentialkurven des Stoßpaars etwa auf dem Niveau des metastabilen Zustands des Erdalkaliatoms erfolgt. Die deutliche Zunahme der Desaktivierungsquerschnitte mit wachsender Stärke der Spin‐Bahn‐Kopplung unterstreicht die Bedeutung der optischen Auswahlregeln auch für strahlungslose Übergänge.
Schadensfälle im Stahlbetonbau
Authors: Kohl Matthias , Wilke Hans‐Peter , Kohl Thomas 
Published: August 2012

AbstractSchäden an Stahlbetonkonstruktionen sind kein Phänomen ausschließlich jüngerer Zeit, allerdings bilden Terminenge und Kostendruck auf einem hart umkämpften Markt und die zumeist hohen ästhetischen, architektonischen und baulichen Ansprüche speziell heutzutage die Grundlage von zahlreichen Fehlern. Diese können umso rascher auftreten, wenn noch Unaufmerksamkeit oder Unerfahrenheit hinzukommen.Cases of damage on reinforced concrete constructions – Examples from real lifeDamages to reinforced concrete structures are not a phenomenon exclusively in recent times of course. However, close deadlines as well as cost pressure on a highly competitive market with its enormous aesthetic, architectural and structural requirements provide the basis for mistakes. They can occur quite faster if inattention or inexperience are added.
Innovationspotenzial Beton: Von Atomen zur Grünen Infrastruktur
Authors: Ulm Franz‐Josef 
Published: August 2012

AbstractDie nachhaltige Entwicklung von Betonlösungen für den Ingenieurbau eröffnet neue Möglichkeiten für den Betonbauingenieur. In diesem Beitrag wird versucht, das Innovationspotenzial von Beton im Hinblick auf ein nachhaltiges Bauen mit Beton zu identifizieren. Es wird gezeigt, dass Durchbrüche in der Materialwissenschaft neue Freiheitsgrade für entwerfende Massivbauer und Bauherren freisetzen können, die möglicherweise zu einer Reduzierung des ökologischen Fußabdrucks führen. Integriert in Lebenszyklusanalysen von Betonstrukturen, die sowohl die Herstellungs‐ als auch die Nutzungsphase erfassen, erhält man ein vollständiges Bild, wie molekulare und nanometrische Modifizierungen des Materials zu einer nachhaltigen Entwicklung des Betons beitragen können. Berücksichtigt man, dass mehr als 20 Millionen Tonnen Beton pro Jahr auf unserem Planeten produziert werden, so erkennt man, dass sich hier neue intellektuelle Leistungen für Ingenieure auftun, Betonbauwerke nicht nur funktions‐ und sicherheitsgerecht zu entwerfen, sondern auch nachhaltig in Bezug auf deren ökologischen Fußabdruck.Concrete Innovation Potential: From Atoms to Green InfrastructureThe sustainable development of concrete opens new possibilities for concrete engineers. This contribution aims at identifying the innovation potential of concrete for a sustainable development. It is shown that breakthroughs in Materials Science of concrete release new degrees of freedom for design and construction of concrete infrastructure that can contribute to reducing the material's ecological footprint. Integrated in a Life‐Cycle Analysis of concrete structures, which considers both the embodied energy and the use phase, acomprehensive picture is obtained how molecular and nanometric modifications can contribute to a sustainable development of concrete. Given the more than 20 million tons of concrete produced annually, it is readily understood that new intellectual challenges are opening for concrete engineers to design buildings not only for function and safety but as well for ecological soundness.
Entwicklung und Verwendung von externen Kosten für die Nachhaltigkeitsbewertung von Verkehrsinfrastruktur
Authors: Zinke Tim , Schmidt‐Thrö Gerald , Ummenhofer Thomas 
Published: August 2012

AbstractInfrastrukturbauwerke zeichnen sich dadurch aus, dass starke Wechselwirkungen zwischen ihnen und ihrer Umgebung bestehen. Beispielsweise ist ein Brückenbauwerk immer in ein Verkehrsnetz eingebunden. Zur Quantifizierung des Umgebungseinflusses wird in der Praxis bereits die Methode der externen Kostenrechnung eingesetzt. Externe Effekte wie Luftverschmutzung und Lärm werden dabei in Geldeinheiten übersetzt und können dadurch direkt in die Entscheidungsfindung eingebunden werden. Eine Integration dieser Methode in die Nachhaltigkeitsbewertung ist allerdings nur möglich, wenn die Potenziale und Probleme der externen Kostenrechnung bekannt sind und auf dieser Grundlage eine Integration in das Gesamtkonzept erfolgt. Der vorliegende Beitrag möchte dafür eine kompakte Grundlage schaffen und erste Empfehlungen für die Systemgestaltung geben.Development and Application of External Costs as part of the Sustainability Assessment of Transportation InfrastructureInfrastructures are characterized by strong interdependencies with the surrounding environment. A bridge for example is always integrated in a network. For a quantification of surrounding effects, the method of external cost calculation is already applied in practice. External effects like air pollution and noise are translated in monetary units. As a result they can directly be used in decision making processes. For an integration of this method in a sustainability assessment system the potentials and problems of the external cost calculation must be considered. This paper aims at providing an argumentation basis and gives recommendations for the design of a sustainability assessment system for transportation infrastructures.
Assessing the Differential Affinity of Small Molecules for Noncanonical DNA Structures
Authors: Stefan Loic , Bertrand Benoît , Richard Philippe , Le Gendre Pierre , Denat Franck , Picquet Michel , Monchaud David 
Published: August 2012

AbstractThe targeting of higher‐order DNA structures has been thoroughly developed with G‐quadruplex DNA but not with other structures like branched DNA (also known as DNA junctions). Because these alternative higher‐order DNA architectures might be of high biological relevance, we implemented a high‐throughput version of the FRET melting assay that enabled us to map the interactions of a candidate with four different DNA structures (duplex‐ and quadruplex DNA, three‐ and four‐way junctions) in a rapid and reliable manner. We also introduce a novel index, the BONDS (branched and other noncanonical DNA selectivity) index, to conveniently quantify this differential affinity.
Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S‐Containing Molecules
Authors: Adhikari Upendra , Scheiner Steve 
Published: August 2012

AbstractN‐Methylacetamide, a model of the peptide unit in proteins, is allowed to interact with CH3SH, CH3SCH3, and CH3SSCH3as models of S‐containing amino acid residues. All of the minima are located on the ab initio potential energy surface of each heterodimer. Analysis of the forces holding each complex together identifies a variety of different attractive forces, including SH⋅⋅⋅O, NH⋅⋅⋅S, CH⋅⋅⋅O, CH⋅⋅⋅S, SH⋅⋅⋅π, and CH⋅⋅⋅π H‐bonds. Other contributing noncovalent bonds involve charge transfer into σ* and π* antibonds. Whereas some of the H‐bonds are strong enough that they represent the sole attractive force in several dimers, albeit not usually in the global minimum, charge‐transfer‐type noncovalent bonds play only a supporting role. The majority of dimers are bound by a collection of several of these attractive interactions. The SH⋅⋅⋅O and NH⋅⋅⋅S H‐bonds are of comparable strength, followed by CH⋅⋅⋅O and CH⋅⋅⋅S.
Avoiding Diffusion Limitations in Cobalt(III/II)‐Tris(2,2′‐Bipyridine)‐Based Dye‐Sensitized Solar Cells by Tuning the Mesoporous TiO2 Film Properties
Authors: Tsao Hoi Nok , Comte Pascal , Yi Chenyi , Grätzel Michael 
Published: August 2012

AbstractDye‐sensitized solar cells based on electrolytes containing cobalt complexes as redox shuttles typically suffer a major limitation in terms of slow diffusion of those couples through the mesoporous TiO2 film. This results in a drop of the photocurrent density, particularly at high incident light intensities, reducing the overall cell performance. This work illustrates how tuning the four characteristic parameters of the mesoporous TiO2 layer, namely film thickness, particle size, pore size and porosity, by simply optimizing the TiCl4 post‐treatment, completely eliminates diffusion problems of cobalt(III/II) tris(2,2′‐bipyridine) and at the same time maximizes the short‐circuit photocurrent density. As a result, a power conversion efficiency of 10.0 % at AM 1.5 G 100 mW cm−2 was reached in conjunction with an organic sensitizer.
Preparation and Characterization of Mg‐Zr Mixed Oxide Aerogels and Their Application as Aldol Condensation Catalysts
Authors: Sádaba Irantzu , Ojeda Manuel , Mariscal Rafael , Richards Ryan , López Granados Manuel 
Published: August 2012

AbstractA series of Mg‐Zr mixed oxides with different nominal Mg/ (Mg+Zr) atomic ratios, namely 0, 0.1, 0.2, 0.4, 0.85, and 1, is prepared by alcogel methodology and fundamental insights into the phases obtained and resulting active sites are studied. Characterization is performed by X‐ray diffraction, transmission electron microscopy, X‐ray photoelectron spectroscopy, N2 adsorption–desorption isotherms, and thermal and chemical analysis. Cubic MgxZr1−xO2−x solid solution, which results from the dissolution of Mg2+ cations within the cubic ZrO2 structure, is the main phase detected for the solids with theoretical Mg/ (Mg+Zr) atomic ratio ≤0.4. In contrast, the cubic periclase (c‐MgO) phase derived from hydroxynitrates or hydroxy precursors predominates in the solid with Mg/(Mg+Zr)=0.85. c‐MgO is also incipiently detected in samples with Mg/(Mg+Zr)=0.2 and 0.4, but in these solids the c‐MgO phase mostly arises from the segregation of Mg atoms out of the alcogel‐derived c‐MgxZr1−xO2−x phase during the calcination process, and therefore the species c‐MgO and c‐MgxZr1−xO2−x are in close contact. Regarding the intrinsic activity in furfural–acetone aldol condensation in the aqueous phase, these MgOZr sites located at the interface between c‐MgxZr1−xO2−x and segregated c‐MgO display a much larger intrinsic activity than the other noninterface sites that are present in these catalysts: MgOMg sites on c‐MgO and MgOZr sites on c‐MgxZr1−xO2−x. The very active MgOZr sites rapidly deactivate in the furfural–acetone condensation due to the leaching of active phases, deposition of heavy hydrocarbonaceous compounds, and hydration of the c‐MgO phase. Nonetheless, these Mg‐Zr materials with very high specific surface areas would be suitable solid catalysts for other relevant reactions catalyzed by strong basic sites in nonaqueous environments.
Acute right‐sided colonic diverticulitis mimicking appendicitis: A report of two cases
Authors: Kahveci Servet , Tokmak Turgut Tursem , Yıldırım Afra , Mavili Ertugrul 
Published: August 2012

AbstractWe describe two right‐sided diverticulitis cases that presented with marked right iliac fossa tenderness with guarding and rebound and laboratory parameters resembling acute appendicitis. The imaging findings suggested diverticulitis in both cases. One of the patients underwent surgery and the other one was followed up with medical treatment. Awareness of these imaging findings may aid in the diagnosis of right‐sided diverticulitis, which is frequently misdiagnosed and mistreated. © 2012 Wiley Periodicals, Inc. J Clin Ultrasound, 2013
Umbilical venous blood flow and its measurement in the human fetus
Authors: Najafzadeh Afrooz , Dickinson Jan E. 
Published: August 2012

AbstractIn this review, we evaluate the published methodologies to describe a noninvasive technique for the quantitative assessment of umbilical venous blood flow in the human fetus. We identify a number of variations in the reported methodologies and address some of the common errors associated with Doppler assessment of umbilical venous flow volume. The potential role of umbilical venous flow volumetry in the management of intrauterine growth restriction is briefly evaluated including its utility and reliability in everyday clinical practice. © 2012 Wiley Periodicals, Inc. J Clin Ultrasound 40:502–511, 2012
Contrast‐enhanced ultrasound findings in a case of renal extramedullary hematopoiesis
Authors: Valentino Massimo , Sabato Mariangela , Murrone Sergio , Pavlica Pietro , Barozzi Libero , Rossi Cristina 
Published: August 2012

AbstractWe present the case of an 80‐year‐old man with two renal solid masses found at sonography, which were imaged by contrast‐enhanced ultrasound, CT, and MRI and confirmed histologically. Contrast‐enhanced ultrasound findings suggested a benign mass and a CT‐guided biopsy yielded a diagnosis of extramedullary hematopoiesis. © 2012 Wiley Periodicals, Inc. J Clin Ultrasound, 2013
Polymorphisms in folate‐metabolizing genes and risk of having an offspring with congenital anomalies in the West Siberian region of Russia: a case–control study
Authors: Weiner Alexandra S. , Gordeeva Ludmila A. , Voronina Elena N. , Boyarskikh Uljana A. , Shabaldin Andrey V. , Filipenko Maxim L. 
Published: August 2012

ABSTRACTObjectivePericonceptional folate supplementation prevents a number of congenital anomalies (CA). The aim of our study was to investigate the association of 11 polymorphisms in the folate‐metabolizing genes with the risk of having an offspring with CA in the Russian ethnic group.MethodWe genotyped 280 mothers having a CA‐affected pregnancy and 390 control mothers. The most common malformations among the cases were CA of the nervous, urinary, and cardiovascular systems, and these groups were analyzed separately.ResultsIn the whole group of CA, we revealed the associations of MTHFR C677T and MTR A2756G loci with increased risk of CA‐affected pregnancy. In the group of CA of the cardiovascular system, we observed an association of MTHFR A1298C with decreased risk and an association of MTR A2756G with increased risk of CA. After the Bonferroni correction, only the association between the genotype MTR 2756GG and the risk of having a fetus with CA of the cardiovascular system remained statistically significant (OR = 4.99, P = 0.03).ConclusionThese findings indicate that locus A2756G in the MTR gene may play a role in susceptibility to CA of the cardiovascular system in West Siberia, but further research is necessary to confirm the association. © 2012 John Wiley & Sons, Ltd.
Safety profile assessment of buflomedil: an overview of adverse reactions between 1975 and 2011
Authors: Bucolo Claudio , Longo Laura , Camillieri Giovanni , Drago Filippo , Salomone Salvatore 
Published: August 2012

ABSTRACTPurposeReview all the individualized cases of adverse drug reaction (ADR) potentially related to buflomedil, a vasodilator with the indication for peripheral arterial disease (PAD), marketed in Europe since the 1970s but recently suspended by the European Medicines Agency.MethodsA review of all available individualised case safety data relating to oral buflomedil from the buflomedil global safety database (provided by the manufacturer of buflomedil), the worldwide published medical literature, toxicology/poison centres and regulatory authorities.ResultsThe main ADRs reported were in the cardiovascular (CVS) and nervous systems (NS), grouped under four (MedDRA) System Organ Classes (SOCs): (i) Cardiac disorders; (ii) Vascular disorders; (iii) Investigations; (iv) NS disorders. From an initial cumulative number of 1054 case reports, there were 401 cases of intentional overdose (IOD) of which 63 were fatal, and 137 cases of accidental overdose, with two fatalities, and 516 case reports of ADRs under normal conditions of use of the product at normal therapeutic dosage with 11 fatalities. Overdosage (intentional or accidental) represented 50.9% of cases, with 47.6% of patients <40 years of age. The indications for which these young patients were prescribed buflomedil were not reported in most cases.ConclusionsThe main indication of buflomedil is PAD; however, because most cases of IOD occurred in people <40 years of age, where PAD is unlikely, it is possible that buflomedil was prescribed for other indications and/or that it was not directly prescribed to the end user, who rather gained access to the medication prescribed to family members or friends. Copyright © 2012 John Wiley & Sons, Ltd.
Difficulties with emotion regulation mediate the relationship between borderline personality disorder symptom severity and interpersonal problems
Authors: Herr Nathaniel R. , Rosenthal M. Zachary , Geiger Paul J. , Erikson Karen 
Published: August 2012

AbstractProblems with interpersonal functioning and difficulties with emotion regulation are core characteristics of borderline personality disorder (BPD). Little is known, however, about the interrelationship between these areas of dysfunction in accounting for BPD symptom severity. The present study examines a model of the relationship between difficulties with emotion regulation and interpersonal dysfunction in a community sample of adults (n = 124) with the full range of BPD symptoms. Results showed that difficulties with emotion regulation fully mediated the relationship between BPD symptom severity and interpersonal dysfunction. An alternative model indicated that interpersonal problems partially mediated the relationship between difficulties with emotion regulation and BPD symptom severity. These findings support existing theories of BPD, which propose that difficulties with emotion regulation may account for the types of interpersonal problems experienced by individuals with BPD and suggest further examination of the possibility that interpersonal dysfunction may worsen these individuals' difficulties with emotion regulation. Copyright © 2012 John Wiley & Sons, Ltd.