bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovering the Active Sites for C3 Separation in MIL‐100(Fe) by Using Operando IR Spectroscopy
Authors: Wuttke Stefan , Bazin Philippe , Vimont Alexandre , Serre Christian , Seo You‐Kyong , Hwang Young Kyu , Chang Jong‐San , Férey Gérard , Daturi Marco 
Published: August 2012

AbstractA reducible MIL‐100(Fe) metal–organic framework (MOF) was investigated for the separation of a propane/propene mixture. An operando methodology was applied (for the first time in the case of a MOF) in order to shed light on the separation mechanism. Breakthrough curves were obtained as in traditional separation column experiments, but monitoring the material surface online, thus providing evidences on the adsorption sites. The qualitative and quantitative analyses of FeII and, to some extent, FeIII sites were possible, upon different activation protocols. Moreover, it was possible to identify the nature and the role of the active sites in the separation process by selective poisoning of one family of sites: it was clearly evidenced that the unsaturated FeII sites are mainly responsible for the separation effect of the propane/propene mixture, thanks to their affinity for the unsaturated bonds, such as the CC entities in propene. The activity of the highly concentrated FeIII sites was also highlighted.
A Self‐Assembly Phase Diagram from Amphiphilic Perylene Diimides
Authors: Zhang Zhigang , Zhan Chuanlang , Zhang Xin , Zhang Shanlin , Huang Jianhua , Li Alexander D. Q. , Yao Jiannian 
Published: August 2012

AbstractSupramolecular forces govern self‐assembly and further determine the final morphologies of self‐assemblies. However, how they control the morphology remains hitherto largely unknown. In this paper, we have discovered that the self‐assembled nanostructures of rigid organic semiconductor chromophores can be finely controlled by the secondary forces by fine‐tuning the surrounding environments. In particular, we used water/methanol/hydrochloric acid to tune the environment and observed five different phases that resulted from versatile molecular self‐assemblies. The representative self‐assembled nanostructures were nanotapes, nanoparticles and their 1D assemblies, rigid microplates, soft nanoplates, and hollow nanospheres and their 1D assemblies, respectively. The specific nanostructure formation is governed by the water fraction, Rw, and the concentration of hydrochloric acid, [HCl]. For instance, nanotapes formed at low [HCl] and Rw values, whereas hollow nanospheres formed when either the HCl concentration is high, or the water fraction is low, or both. The significance of this paper is that it provides a useful phase diagram by using Rw and [HCl] as two variables. Such a self‐assembly phase diagram maps out the fine control that the secondary forces have on the self‐assembled morphology, and thus allows one to guide the formation toward a desired nanostructure self‐assembled from rigid organic semiconductor chromophores by simply adjusting the two key parameters of Rw and [HCl].
2‐Aminopyridine Derivatives as Potential σ2 Receptor Antagonists
Authors: Abate Carmen , Ferorelli Savina , Niso Mauro , Lovicario Cesarea , Infantino Vittoria , Convertini Paolo , Perrone Roberto , Berardi Francesco 
Published: August 2012

Abstractσ2 Receptor research is receiving increasing interest with regard to the potential of σ2 proteins as targets for tumor therapy and diagnosis. Nevertheless, knowledge about the σ2 receptor is far from conclusive. The paucity and modest affinity of known σ2 antagonists represent one of the limitations to σ2 receptor research. Previous studies of the high‐affinity σ2 agonist 1‐cyclohexyl‐4‐[3‐(5‐methoxy‐1,2,3,4‐tetrahydronaphthalen‐1‐yl)‐n‐propyl]piperazine 4 (PB28) suggested that a decrease in lipophilicity might lead to σ2 ligands devoid of antiproliferative activity (potential σ2 antagonists). With the aim of producing σ2 receptor antagonists, we replaced the tetralin nucleus of compound 4 with a 2‐aminopyridine moiety. A series of compounds with high affinity for both σ subtypes and with no antiproliferative activity in various cells (mouse HT‐22, human SK‐N‐SH, MCF‐7wt, and MCF‐7σ1) were obtained. The effect on Ca2+ mobilization was investigated for high‐affinity compounds 18 and 4, which showed opposite effects. All of the data support the new 2‐aminopyridines as high‐affinity σ ligands with σ2 antagonist and σ1 agonist activity, and, despite the lack of significant σ2 versus σ1 selectivity, these novel compounds may be better tools for σ receptor research than the known low‐affinity σ2 antagonists.
Effectiveness of radiation for prevention of mastectomy in older breast cancer patients treated with conservative surgery
Authors: Albert Jeffrey M. , Pan I‐Wen , Shih Ya‐Chen Tina , Jiang Jing , Buchholz Thomas A. , Giordano Sharon H. , Smith Benjamin D. 
Published: August 2012

AbstractBACKGROUND:A recent clinical trial concluded that radiation therapy (RT) does not lower the risk of mastectomy and, thus, may be omitted in older women with stage I, estrogen receptor (ER)‐positive breast cancer who undergo conservative surgery (CS). However, it is not known whether this finding applies to patients outside of clinical trials. Accordingly, we used the Surveillance, Epidemiology, and End Results‐Medicare observational cohort to determine the effect of RT on the risk of mastectomy among older women with stage I, ER‐positive breast cancer.METHODS:The authors identified 7403 women ages 70 to 79 years who underwent CS between 1992 and 2002. Claims were used to determine RT status and to identify women who underwent mastectomy subsequent to initial treatment. The Kaplan‐Meier method was used to estimate the risk of subsequent mastectomy, and Cox regression analysis was used to determine the effect of RT adjusted for clinical‐pathologic covariates.RESULTS:At a median follow‐up of 7.3 years, the risk of subsequent mastectomy within 10 years of diagnosis was 3.2% for patients who received RT versus 6.3% for patients who did not receive RT (P < .001). In adjusted analyses, RT was associated with a lower risk of mastectomy (hazard ratio, 0.33; 95% confidence interval, 0.22‐0.48; P < .001). RT provided no benefit for patients ages 75 to 79 years without high‐grade tumors who had a pathologic lymph node assessment (P = .80); however, for all other subgroups, RT was associated with an absolute reduction in risk of mastectomy that ranged from 4.3% to 9.8% at 10 years.CONCLUSIONS:Outside of a clinical trial, the receipt of RT after CS was associated with a greater likelihood of ultimate breast preservation for most older women with early breast cancer. Cancer 2012. © 2012 American Cancer Society.
Physical and Electrochemical Analysis of an Indoor–Outdoor Ageing Test of Large‐Area Dye Solar Cell Devices
Authors: Mastroianni Simone , Lanuti Alessandro , Penna Stefano , Reale Andrea , Brown Thomas M. , Di Carlo Aldo , Decker Franco 
Published: August 2012

AbstractA long‐term life test (3200 h) on large‐area dye‐sensitized cells is performed both under outdoor conditions, in the sunny Mediterranean climate in Rome (Italy), and under continuous light soaking (1 Sun, 85 °C). Different degradation rates are investigated for the outdoor samples with horizontally and vertically oriented cells (azimuth South, tilt angle 25°). Thirty identical photocells (active area=3.6 cm2, conversion efficiencies=(4.8±0.2) %) are aged using a robust master‐plate configuration. After the first 1000 h of testing in open‐circuit conditions, some of the test samples are set near the maximum power point (MPP) and the life test continued further until 3200 h. A detailed analysis of the physical parameters obtained by electrochemical impedance is given together with electrolyte transmittance variation with time as a function of the ageing conditions. Faster degradation in devices working at the MPP is observed, due mainly to a progressive decrease of the triiodide concentration in the electrolyte and a likely alteration at the titania/electrolyte interface. Outdoor devices working with vertically oriented cells show clearly that the orientation of long‐striped cells can affect the lifetime. The aged cells suffer an increase of recombination rate, change in the chemical capacitance, and positive shift of the titania conduction band level. A strong correlation between the increase of the electrolyte diffusion resistance and degradation phenomena is found.
Epitaxial III–V Films and Surfaces for Photoelectrocatalysis
Authors: Döscher Henning , Supplie Oliver , May Matthias M. , Sippel Philipp , Heine Christian , Muñoz Andrés G. , Eichberger Rainer , Lewerenz Hans‐Joachim , Hannappel Thomas 
Published: August 2012

AbstractEfficient photoelectrochemical devices for water splitting benefit from the highest material quality and dedicated surface preparation achieved by epitaxial growth. InP(100)‐based half‐cells show significant solar‐to‐hydrogen efficiencies, but require a bias due to insufficient voltage. Tandem absorber structures may provide both adequate potential and efficient utilization of the solar spectrum. We propose epitaxial dilute nitride GaPNAs photocathodes on Si(100) substrates to combine close‐to‐optimum limiting efficiency, lattice‐matched growth, and established surface preparation. Prior to a discussion of the challenging III–V/Si(100) heterojunction, we describe the closely related epitaxial preparation of InP(100) surfaces and its beneficial impact on photoelectrochemical water‐splitting performance. Analogies and specific differences to GaP(100) surfaces are discussed based on in situ reflectance anisotropy and on two‐photon photoemission results. Preliminary experiments regarding GaP/Si(100) photoelectrochemistry and dilute nitride GaPN heteroepitaxy on Si(100) confirm the potential of the GaPNAs/Si tandem absorber structure for future water‐splitting devices.
Functionalization of Reduced Graphite Oxide Sheets with a Zwitterionic Surfactant
Authors: Martín‐García Beatriz , Velázquez M. Mercedes , Rossella Francesco , Bellani Vittorio , Diez Enrique , García Fierro Jose Luis , Pérez‐Hernández Jose Antonio , Hernández‐Toro Juan , Claramunt Sergi , Cirera Albert 
Published: August 2012

AbstractFilms of a few layers in thickness of reduced graphite oxide (RGO) sheets functionalized by the zwitterionic surfactant N‐dodecyl‐N,N‐dimethyl‐3‐ammonio‐1‐propanesulfonate (DDPS) are obtained by using the Langmuir–Blodgett method. The quality of the RGO sheets is checked by analyzing the degrees of reduction and defect repair by means of X‐ray photoelectron spectroscopy, atomic force microscopy (AFM), field‐emission scanning electron microscopy (SEM), micro‐Raman spectroscopy, and electrical conductivity measurements. A modified Hummers method is used to obtain highly oxidized graphite oxide (GO) together with a centrifugation‐based method to improve the quality of GO. The GO samples are reduced by hydrazine or vitamin C. Functionalization of RGO with the zwitterionic surfactant improves the degrees of reduction and defect repair of the two reducing agents and significantly increases the electrical conductivity of paperlike films compared with those prepared from unfunctionalized RGO.
EN 1996‐1‐2 – Einstufung des Feuerwiderstands von Mauerwerk in den nationalen Anhängen verschiedener europäischer Länder
Authors: Meyer Udo 
Published: August 2012

AbstractDie europäische Harmonisierung ist auf dem Gebiet des Brandschutzes mit Mauerwerk noch am Anfang des Weges. In den nationalen Anhängen in den verschiedenen Mitgliedsstaaten gibt es noch große Unterschiede in der Bewertung des Feuerwiderstands von Mauerwerkbauteilen. Die Einstufung im deutschen Nationalen Anhang basiert auf der umfangreichen Prüferfahrung mit Brandversuchen an Mauerwerkswänden nach DIN 4102, einer grundlegenden praktischen und theoretischen Untersuchung des Einflusses der geänderten Prüfverfahren in EN 1365‐1 auf das Prüfergebnis und einer Reihe von Bestätigungsversuchen nach DIN EN 1365‐1 für die Tabellenwerte in DIN EN 1996‐1‐2/NA. Der aktuelle Status wird dargestellt, mögliche zukünftige Entwicklungen werden diskutiert.EN 1996‐1‐2 – Classification of the fire resistance of masonry structures in national annexes from various European countries. A real European harmonisation in the field of fire design of masonry structures is still to come. The national annexes to EN 1996‐1‐2 show significant differences in the evaluation of the fire resistance of masonry structures. The classification in the German NA is based on extensive experience with fire tests on walls according to DIN 4102, a basic practical and theoretical investigation into the influence of the changes in the test procedure according to EN 1365‐1 for the test results and some verification tests according to EN 1365‐1 on walls to confirm the values given in DIN EN 1996‐1‐2/NA. The current status is presented and possible future developments are discussed.
Bewertung von Wärmebrücken im Lichte der zukünftigen Energieeinsparverordnung und in Verbindung mit den allgemein anerkannten Regeln der Technik
Authors: Gierga Michael , Fischer Erik 
Published: August 2012

AbstractDie energetische Bewertung zusätzlicher Wärmebrückenverluste der Gebäudehülle ist Gegenstand der Energieeinsparverordnung (EnEV) seit dem Jahr 2001. Die Berücksichtigung erfolgt durch pauschale Zuschläge auf den Transmissionswärmeverlust der wärmeübertragenden Außenbauteile oder alternativ durch die Berechnung der individuellen Wärmedurchgangskoeffizienten der wesentlichen Wärmebrückenanschlüsse. Dazu ist DIN 4108 Beiblatt 2 heranzuziehen, in dem seit 1998 entsprechende Planungsbeispiele dargestellt sind. Es muss die Frage geklärt werden, inwieweit dieses Regelwerk in seiner jetzigen Form, der Ausgabe 2006, den allgemein anerkannten Regeln der Technik entspricht und für die Planung und Nachweisführung hocheffizienter Gebäude angewendet werden kann. Neben dem Beiblatt 2 wurden in der Zwischenzeit hochwertige Wärmebrückenkataloge entwickelt, die dessen Inhalte quantitativ und qualitativ übertreffen. Es müssen daher Vorschläge gemacht werden, wie Wärmebrückendetails nach den Erfordernissen des effizienten Bauens auch in Zukunft sachgerecht bewertet werden können.Estimation of thermal bridges concerning the prospective Energy Saving Order and concerning the common accepted technical rules. The estimation of additional energy consumption of thermal bridges in building skins is part of the Energy Saving Order (EnEV) since 2001. The consideration occurs with an overall supplement to the heat transmission losses of the entire heat transfer covering surface or alternative with calculation of individual heat transmission coefficients of the essential thermal bridges. For this calculation the DIN 4108 Supplementary Sheet 2, which illustrates planning examples since the year 1998, will be used. The question is, to what extend these latest regulations, released in 2006, are in accordance with the common accepted technical rules and can be used for planning and confirmation of highly efficient buildings. Meanwhile catalogues of thermal bridges that exceed the substance of the Supplementary Sheet 2 in quantity and quality have developed additionally. Suggestions how to evaluate examples of thermal bridges according energy efficient buildings in the future therefore become necessary.
Preclinical Toxicology, Pharmacology, and Efficacy of a Novel Orally Administered Diethylenetriaminepentaacetic acid (DTPA) Formulation
Authors: Reddy Joseph D. , Cobb Ronald R. , Dungan Nathanael W. , Matthews Laura L. , Aiello Kenneth V. , Ritter Gregg , Eppler Bärbel , Kirk James F. , Abernethy John A. , Tomisaka Dennis M. , Talton James D. 
Published: August 2012

Abstract

Strategy, Management and Health Policy

Enabling Technology, Genomics, Proteomics
Preclinical Research
Preclinical Development Toxicology, Formulation Drug Delivery, Pharmacokinetics
Clinical Development Phases I‐III Regulatory, Quality, Manufacturing
Postmarketing Phase IV

Accidental or deliberate release of plutonium (Pu) and americium (Am) into the environment could lead to internal contamination by dermal exposure, ingestion, or inhalation and result in severe health risks to the exposed human population. Therefore, it is extremely important to develop chelation or decorporation therapies to remove these actinides from the exposed human population and thereby mitigate the deleterious effects of these actinides. Of the several chelating agents available, administration of intravenous (IV) injection of calcium (Ca) or zinc (Zn) diethylenetriaminepentaacetic (DTPA) immediately after exposure is well known to enhance the excretion of incorporated actinides. However, in emergency situations that require treating a large population, oral administration of either Zn‐DTPA or Ca‐DTPA would be the simplest treatment. A novel oral formulation of DTPA, NanoDTPA™ capsules was investigated for its toxicological and pharmacological profiles in dogs. No toxicity was observed in the dogs and the no observable adverse effect level was determined to be 350–700 mg NanoDTPA™ per dog or approximately 36.5–72.9 mg/kg NanoDTPA™. In the pharmacokinetic study, DTPA concentration from all dogs that were administered enteric‐coated NanoDTPA capsules was observed in the 1.5 and 2 h samples of the 30 and 60 mg/kg dosing arms, respectively. The highest mean DTPA plasma concentration was 3.04 ± 1.10 μg/ml and 4.82 ± 1.76 μg/ml at 3.0 and 2.8 h for the 30 and 60 mg/kg dosing arms, respectively. Additionally, the preliminary decorporation studies in rats exposed to 241
Am at a single dose (1 μCi) demonstrated that the NanoDTPA capsules at 60 mg/kg NanoDTPA were substantially equivalent to IV Zn‐DTPA administrated at 15 mg/kg DTPA, which is the highest dose available for the currently licensed product. These results demonstrate that oral NanoDTPA™ capsules are safe and capable of decorporation of actinides. The data from additional GLP studies linked to pharmacokinetic data in humans will be used to establish efficacy for regulatory submissions.
Evaluation of a DTPA Prodrug, C2E5 as an Orally Bioavailable Radionuclide Decorporation Agent
Authors: Sadgrove Matthew P. , Leed Marina G. D. , Shapariya Shraddha , Madhura Dora Babu , Jay Michael 
Published: August 2012

Abstract

Strategy, Management and Health Policy

Enabling Technology, Genomics, Proteomics
Preclinical Research
Preclinical Development Toxicology, Formulation Drug Delivery, Pharmacokinetics
Clinical Development Phases I‐III Regulatory, Quality, Manufacturing
Postmarketing Phase IV

The efficacy of the prodrug C2E5, the pentaethyl ester of diethylenetriaminepentaacetic acid (DTPA), as an orally administered chelator of americium was evaluated in rats. C2E5 enhanced 241Am decorporation over vehicle‐only controls (187 μmol/kg, 14.8 ± 4.2% vs control, 7.1 ± 1.4% injected 241Am, P < 0.05) when administered 1 h after 241Am nitrate contamination by intramuscular (i.m.) injection. Reduction in liver burden was also achieved (375 μmol/kg, 13.1 ± 2.0% vs control, 17.3 ± 2.4% 241Am). Under these conditions, a single C2E5 dose did not match the efficacy of intravenous (i.v.) Ca‐DTPA (26.8 μmol/kg; decorporation 24.5 ± 3.5% and liver burden 10.2 ± 2.7% 241Am). Dividing the 375 μmol/kg C2E5 dose enhanced efficacy (4 × 94.5 μmol/kg C2E5; decorporation 19.7 ± 4.5% and liver burden 11.5 ± 2.8% 241
Am; P < 0.001, P < 0.05 vs control), approaching parity with i.v. Ca‐DTPA. When the contamination model was changed to i.v. or i.m. 241Am citrate injection, C2E5 (75 μmol/kg) enhanced decorporation and reduced liver burden. Higher doses of C2E5 (375 μmol/kg) were comparable with i.v. Ca‐DTPA (26.8 μmol/kg), with liver burdens at 3.2 ± 1.4% and 7.4 ± 2.7%, and decorporation of 43.5 ± 8.9% and 37.4 ± 3.9% i.m. 241Am citrate, respectively. The differences observed in oral C2E5 efficacy relative to i.v. Ca‐DTPA between contamination models may be related to the kinetics of the injected americium complex. C2E5 proved to be an effective decorporation agent for 241Am when orally administered and may be improved by optimized treatment strategies.
Y‐chromosome evidence supports widespread signatures of three‐species Canis hybridization in eastern North America
Authors: Wilson Paul J. , Rutledge Linda Y. , Wheeldon Tyler J. , Patterson Brent R. , White Bradley N. 
Published: August 2012

AbstractThere has been considerable discussion on the origin of the red wolf and eastern wolf and their evolution independent of the gray wolf. We analyzed mitochondrial DNA (mtDNA) and a Y‐chromosome intron sequence in combination with Y‐chromosome microsatellites from wolves and coyotes within the range of extensive wolf–coyote hybridization, that is, eastern North America. The detection of divergent Y‐chromosome haplotypes in the historic range of the eastern wolf is concordant with earlier mtDNA findings, and the absence of these haplotypes in western coyotes supports the existence of the North American evolved eastern wolf (Canis lycaon). Having haplotypes observed exclusively in eastern North America as a result of insufficient sampling in the historic range of the coyote or that these lineages subsequently went extinct in western geographies is unlikely given that eastern‐specific mtDNA and Y‐chromosome haplotypes represent lineages divergent from those observed in extant western coyotes. By combining Y‐chromosome and mtDNA distributional patterns, we identified hybrid genomes of eastern wolf, coyote, gray wolf, and potentially dog origin in Canis populations of central and eastern North America. The natural contemporary eastern Canis populations represent an important example of widespread introgression resulting in hybrid genomes across the original C. lycaon range that appears to be facilitated by the eastern wolf acting as a conduit for hybridization. Applying conventional taxonomic nomenclature and species‐based conservation initiatives, particularly in human‐modified landscapes, may be counterproductive to the effective management of these hybrids and fails to consider their evolutionary potential.
Unique haplotypes in ant‐attended aphids and widespread haplotypes in non‐attended aphids
Authors: Yao Izumi , Kanbe Takashi 
Published: August 2012

AbstractAphid species within the genus Tuberculatus Mordvilko (Hemiptera: Aphididae) exhibit a variety of interactions with ants, ranging from close associations to non‐attendance. A previous study indicated that despite wing possession, ant‐attended Tuberculatus species exhibited low dispersal rates compared with non‐attended species. This study examined if presence or absence of mutualistic interactions and habitat continuity of host plants affected intraspecific genetic diversity and genetic differentiation in mitochondrial DNA cytochrome oxidase I (COI) sequences. Sympatric ant‐attended Tuberculatus quercicola (Matsumura) (Hemiptera: Aphididae) and non‐attended Tuberculatus paiki Hille Ris Lambers (Hemiptera: Aphididae) were collected from the daimyo oak Quercus dentata Thunberg (Fagales: Fagaceae) in Japan and examined for haplotype variability. Seventeen haplotypes were identified in 568 T. quercicola individuals representing 23 populations and seven haplotypes in 425 T. paiki representing 19 populations. Haplotype diversity, which indicates the mean number of differences between all pairs of haplotypes in the sample, and nucleotide diversity were higher in T. quercicola than T. paiki. Analysis of molecular variance (AMOVA) showed higher genetic differentiation among populations within groups of T. quercicola (39.8%) than T. paiki (22.6%). The effects of attendant ant species on genetic differentiation in T. quercicola were not distinguishable from geographic factors. Despite low dispersal rates, host plant habitat continuity might facilitate widespread dispersal of a T. quercicola haplotype in Hokkaido. These results suggested that following T. quercicola colonization, gene flow among populations was limited, resulting in genetic drift within populations. However, frequent T. paiki dispersal is clearly evident by low genetic differentiation among populations within groups, resulting in lower haplotype diversity.