bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identifizierung eines Sulfonamids als β1/β2‐spezifischer Proteasomligand durch kristallographisches Screening
Authors: Beck Philipp , Reboud‐Ravaux Michèle , Groll Michael 
Published: August 2015

AbstractDas Proteasom ist ein etabliertes Angriffsziel zur Behandlung von Krebs, jedoch erfordert das Aufkommen resistenter Tumore die Entdeckung neuartiger Inhibitoren. Die häufig genutzten fluoreszenzbasierten Screeningmethoden besitzen jedoch eine geringe Empfindlichkeit und sind auf den Nachweis von Liganden mit koventionellen Bindungsprofilen begrenzt. Aufgrund dieser Nachteile haben wir ein kristallographisches Screeningverfahren angewendet, um Proteasominhibitoren mit einem neuartigen Wirkmechanismus zu identifizieren. Die optimierte Prozedur wurde anhand eines Screenings einer fokussierten Gruppe von Verbindungen getestet und führte zur Entdeckung eines β1/β2‐spezifischen Sulfonamid‐Derivats, das nicht‐kovalent zwischen den Proteasomuntereinheiten β1 und β2 bindet. Die Bindetasche zeigt signifikante Größen‐ und Polaritätsunterschiede zwischen konstitutivem und Immunproteasom auf, wodurch der identifizierte Ligand wertvolle Erkenntnisse für die strukturbasierte Entwicklung von Subtyp‐spezifischen Proteasominhibitoren bietet.
Vitamin E can be used to hinder scissioning in radiation cross‐linked UHMWPE during high‐temperature melting
Authors: Doshi Brinda N. , Fu Jun , Oral Ebru , Muratoglu Orhun K. 
Published: August 2015

ABSTRACTHigh‐temperature melting (HTM) of ultrahigh molecular weight polyethylene (UHMWPE) was shown to improve its elongation and toughness. This was believed to be due to increased scissioning and increased diffusion of polymer chains. It was hypothesized here that the toughness of previously radiation cross‐linked UHMWPEs could also be improved by HTM. To test this hypothesis, the wear resistance, tensile mechanical properties, and Izod impact strength of radiation cross‐linked virgin (no additive) and antioxidant‐blended (with vitamin E) UHMWPEs were tested. The results suggested that although the impact strength of cross‐linked UHMWPEs could be improved significantly by HTM, the wear resistance was decreased. Thus, this procedure can be optimized to be especially suited in high‐stress applications, such as total knee replacements with lessened wear concerns. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42735.
Study on the Protective Effect of the KIR3DL1 Gene in Ankylosing Spondylitis
Authors: Vendelbosch S. , Heslinga S. C. , John M. , van Leeuwen K. , Geissler J. , de Boer M. , Tanck M. W. T. , van den Berg T. K. , Crusius J. B. A. , van der Horst‐Bruinsma I. E. , Kuijpers T. W. 
Published: August 2015

ObjectiveAnkylosing spondylitis (AS) is an autoimmune disease that mainly affects the sacroiliac joints and the spine of the lower back. The disease is strongly associated with HLA–B27. Additional genes, single‐nucleotide polymorphisms, and molecular components have been identified to be associated with AS, but the exact mechanism that drives disease development remains poorly understood. The killer cell immunoglobulin‐like receptors (KIRs) are regulators of cytotoxicity of natural killer cells and T cell subsets and may be relevant in binding to HLA–B27 and the development of AS. We undertook this study to identify possible associations of KIR genotype with susceptibility to AS and disease characteristics including the presence of the HLA–B27 allele, disease severity, and uveitis.MethodsWe performed complete genotyping of the KIR locus in 303 Caucasian AS patients, 119 randomly selected healthy Caucasian controls, and 50 HLA–B27–positive healthy Caucasian controls by multiplex ligation‐dependent probe amplification assay for detection of gene presence and copy number.ResultsWe did not observe a significant association of any specific KIR gene or haplotype with susceptibility to AS or any other clinical manifestation. Disease severity, as measured by fulfilling the criteria for treatment with tumor necrosis factor blocking therapy, was linked to a lower number of genes for the functional variant of KIR3DL1 (P = 0.007).ConclusionOur exploratory study indicates that KIR genes are not a major risk factor for susceptibility to AS. However, the data do suggest a role for KIRs in progression of the disease, whereby KIR3DL1 has a protective effect against the more severe manifestations of AS.
Water‐Soluble Gold Nanoparticles: From Catalytic Selective Nitroarene Reduction in Water to Refractive Index Sensing
Authors: Guo Wusheng , Pleixats Roser , Shafir Alexandr 
Published: August 2015

AbstractWater‐soluble gold nanoparticles (Au NPs) stabilized by a nitrogen‐rich poly(ethylene glycol) (PEG)‐tagged substrate have been prepared by reduction of HAuCl4 with NaBH4 in water at room temperature. The morphology and size of the nanoparticles can be controlled by simply varying the gold/stabilizer ratio. The nanoparticles have been fully characterized by TEM, high‐resolution (HR) TEM, electron diffraction (ED), energy‐dispersive X‐ray spectroscopy (EDS), UV/Vis, powder XRD, and elemental analysis. The material is efficient as a recyclable catalyst for the selective reduction of nitroarenes with NaBH4 to yield the corresponding anilines in water at room temperature. Furthermore, the potential ability of the Au NPs as a refractive index sensor owing to their localized surface plasmon resonance (LSPR) effect has also been assessed.
Auswirkung von Zündquellen und Systembeschaffenheit auf das Brandverhalten EPS‐basierter Wärmedämm‐Verbundsysteme
Authors: Kaudelka Sven , Hofmann‐Böllinghaus Anja , Hauswaldt Sebastian , Krause Ulrich 
Published: August 2015

AbstractGegenstand des Aufsatzes ist die experimentelle Untersuchung der Auswirkungen verschiedener Zündquellen sowie der Systembeschaffenheit auf das Brandverhalten EPS‐basierter Wärmedämm‐Verbundsysteme (WDVS). Dazu wurden Brände ausgewertet, die mit EPS‐basierten WDVS in Verbindung stehen. Ergebnis dieser Auswertung war, dass nicht wie bisher angenommen der Brand in dem Gebäude (z. B. der Wohnungsbrand), sondern vielmehr der Brand außerhalb des Gebäudes, insbesondere der des Abfallbehälters, das häufigste und kritischste Brandszenario für EPS‐basierte WDVS darstellt. Daraufhin wurden an der BAM Bundesanstalt für Materialforschung und ‐prüfung Brandversuche in der Single Burning Item‐Prüfeinrichtung (SBI) an nicht intakten EPS‐basierten WDVS‐Ausschnitten durchgeführt. Mit zunehmender Beschädigungsgröße und ‐tiefe stieg die vom System freigesetzte Wärmefreisetzungsrate an. Zusätzlich werden Brandversuche eines Sockelbrandszenarios mit einer abfallbehälteräquivalenten Brandlast vorgestellt. Aus den Brandversuchen werden Empfehlungen zur Verbesserung der Systemsicherheit abgeleitet.Influence of different ignition sources and conditions of the systems on the fire behaviour of external thermal insulating systems (ETICS). The influence of different ignition sources and conditions of the systems on the fire behaviour of external thermal insulating systems (ETICS) have been investigated experimentally. As a basis of the investigations real cases with EPS based ETICS have been analysed. The analysis showed that the fire in front of the building is the most common and critical fire scenario for these systems. These fires are often caused by waste containers. This result contradicts the former common assumption that the fire inside the building is the most critical fire scenario for ETICS. Intermediate scale experiments in the Single Burning Item (SBI) test apparatus have been performed at BAM with ETICS specimens. The render of the systems was partially damaged. The measured heat release rate of the specimens increased significantly with size and depths of the damages. Additionally results of large scale experiments with a waste container equivalent ignition source are presented and recommendations to enhance fire safety of these systems are given.
Investigation into the interaction of methylparaben and erythromycin with human serum albumin using multispectroscopic methods
Authors: Naik Keerti M. , Nandibewoor Sharanappa T. 
Published: August 2015

AbstractIn this paper, the interaction of methylparaben and erythromycin with human serum albumin (HSA) was studied for the first time using spectroscopic methods including Fourier transform infrared (FTIR) spectroscopy and UV absorption spectroscopy in combination with fluorescence quenching under physiological conditions. The binding parameters were evaluated using a fluorescence quenching method. Based on Förster's theory of non‐radiation energy transfer, the binding average distance, r between the donor (HSA) and the acceptor (methylparaben and erythromycin) was evaluated. UV/vis absorption, FTIR, synchronous and 3D spectral results showed that the conformation of HSA was changed in the presence of methylparaben and erythromycin. The thermodynamic parameters were calculated according to the van't Hoff equation and are discussed. The effect of some biological metal ions and site probes on the binding of methylparaben and erythromycin to HSA were further examined. Copyright © 2015 John Wiley & Sons, Ltd.
Kolb's experiential learning theory and Belhot's learning cycle guiding the use of computer simulation in engineering education: A pedagogical proposal to shift toward an experiential pedagogy
Authors: Botelho Wagner Tanaka , Marietto Maria das Graças Bruno , Ferreira João Carlos da Motta , Pimentel Edson Pinheiro 
Published: August 2015

ABSTRACTThis work aims to contribute to a rethinking of the computer simulation used in the high education in Engineering. In order to design a set of simulation laboratory activities, a pedagogical proposal is presented on basis of Kolb's Experiential Learning Theory and Belhot's Learning Cycle. The chosen content to be taught is the Ant Colony Optimization (ACO) technique that is adapted and implemented in RoboMind software. The pedagogical approach presented in this paper can act as a reference point for debates in Engineering Education area, considering the use of the Kolb's theory as a model for development of teaching‐learning process and computer simulations as a didactic tool. Finally, some recommendations are offered in order to help future works, as well as to consolidate the implementation of this pedagogical proposal in real case studies. © 2015 Wiley Periodicals, Inc. Comput. Appl. Eng. Educ. 24:79–88, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21674
Water‐Assisted Selective Hydrodeoxygenation of Lignin‐Derived Guaiacol to Monooxygenates
Authors: Yoon Ji Sun , Choi Jae‐Wook , Suh Dong Jin , Lee Kangtaek , Lee Hyunjoo , Ha Jeong‐Myeong 
Published: August 2015

AbstractWater, which frequently inhibits organic reactions, improves the hydrodeoxygenation activity of lignin‐derived guaiacol on a bifunctional catalyst of Rh/SiO2–Al2O3 in a biphasic mixture of n‐decane and water. The unique properties of subcritical water appear to promote hydrodeoxygenation, which improves the production of monooxygenates by removing more oxygen atoms of guaiacol while suppressing the formation of fully deoxygenated hydrocarbons because of the poor solubility of hydrophobic monooxygenates.
First Example of a Modular Porphyrinoid Assembly Capable of Stabilizing Different Metal Ions in a Single Molecular Scaffold
Authors: Murugavel Muthuchamy , Reddy R. V. Ramana , Dey Dhananjay , Sankar Jeyaraman 
Published: August 2015

AbstractWe report the synthesis and characterization of porphyrin–corrole–porphyrin (Por‐Cor‐Por) hybrids directly linked at the meso–meso positions for the first time. The stability and solubility of the trimer are carefully balanced by adding electron‐withdrawing substituents to the corrole ring and sterically bulky groups on the porphyrins. The new hybrids are capable of stabilizing more than one metal ion in a single molecular scaffold. The versatility of the triad has been demonstrated by successfully stabilizing homo‐ (Ni) and heterotrinuclear (Ni‐Cu‐Ni) coordination motifs. The solid‐state structure of the NiPor‐CuCor‐PorNi hybrid was revealed by single‐crystal X‐ray diffraction studies. The NiII porphyrins are significantly ruffled and tilted by 83° from the plane of corrole. The robustness of the synthesized hybrids was reflected in the electrochemical investigations and the redox behaviour of the hybrids show that the oxidation processes are mostly corrole‐centred. In particular it is worth noting that the Por‐Cor‐Por hybrid can further be manipulated due to the presence of substituent‐free meso‐positions on both the terminals.
Green Template‐Free Synthesis of Hierarchical Shuttle‐Shaped Mesoporous ZnFe2O4 Microrods with Enhanced Lithium Storage for Advanced Li‐Ion Batteries
Authors: Hou Linrui , Hua Hui , Lian Lin , Cao Hui , Zhu Siqi , Yuan Changzhou 
Published: August 2015

AbstractInvited for the cover of this issue is Changzhou Yuan and co‐workers at the Anhui University of Technology. The image depicts hierarchical shuttle‐shaped mesoporous ZnFe2O4 micro‐rods, as a low‐cost yet high‐performance anode, for advanced next‐generation Li‐ion batteries. Read the full text of the article at 10.1002/chem.201501876.
Mechanische Eigenschaften zyklisch be‐ und entfeuchteter Zeolithgranulate
Authors: Müller Peter , Russell Alexander , Seidenbecher Jakob , Tomas Jürgen 
Published: August 2015

AbstractBei der Herstellung von Zeolith‐Granulaten variieren der Bindemittelgehalt und die Temperaturen bei der Entwässerung und Aktivierung der Granulate. Hier wird der Einfluss der Feuchtebeladung und zyklischen Be‐ und Entfeuchtung auf die mechanischen Eigenschaften von drei Zeolith 4A Granulaten mittels Druckbeanspruchung bis zum Bruch untersucht. Die Kraft‐Weg‐Kurven und Rasterelektronenmikroskopaufnahmen der Oberflächen und Bruchflächen der Granulate zeigen, dass aufgrund vermehrter nicht regenerativer Schädigung der Struktur bei der Befeuchtung mit zunehmender Zyklenanzahl die Kraft‐Weg‐Kurven kontinuierlich abflachen und die Festigkeit abnimmt.
Molekulare Katalysatoren zur Bindungsaktivierung
Authors: Zimmermann Teresa K. , Kühn Fritz E. 
Published: August 2015

AbstractIndustrielle Katalyse gilt als Schlüsseltechnologie und ist von enormer wirtschaftlicher und geopolitischer Bedeutung. Dennoch sind biologische Systeme nach wie vor unübertroffen in ihrer Effizienz und Effektivität und können daher in vielen Fällen als Vorbild für synthetische Katalysatoren dienen. Biomimetische und bioinspirierte Konzepte sind demnach von wachsender Bedeutung. Auch auf der Suche nach einer künftigen Energieversorgung kann die Natur vielversprechende Modellsysteme liefern.
Steuerliganden für Katalysatoren
Authors: Altmann Philipp J. , Riener Korbinian , Kühn Fritz E. , Herrmann Wolfgang A. 
Published: August 2015

AbstractSeit der Isolierung des ersten freien N‐Heterocyclencarbens vor über 20 Jahren ist diese Ligandenklasse unverzichtbar in der modernen Chemie geworden. Diese Entwicklung basiert maßgeblich auf der Stabilität der Metall‐Kohlenstoff‐Bindung, der problemlosen Feinabstimmung der Ligandeneigenschaften, sowie dem leichten synthetischen Zugang zu derartigen Komplexen. Als Steuerliganden sind sie Bestandteil zahlreicher metallorganischer Verbindungen, die aktuell die Horizonte der Chemie in vielen Bereichen erweitern, zum Beispiel in Synthese und Anwendung von immobilisierten, wasserlöslichen oder asymmetrischen Systemen, die in organischen Transformationen als leistungsstarke Katalysatoren genutzt werden. Darüber hinaus finden Metall‐NHC‐Komplexe auch jenseits der Katalyse, z. B. in Medizin, Optik und Materialforschung, verstärkt Einsatzmöglichkeiten.
Begehrter Duftstoff aus der Retorte
Authors: Sheremet Michael 
Published: August 2015

AbstractDer synthetische Riechstoff Cashmeran ist eine angesagte Zutat für Parfüms. Bislang fehlte es an Alternativen mit vergleichbarem Duftprofil. Forscher vom Max‐Planck‐Institut für Kohlenforschung und vom Schweizer Unternehmen Givaudan haben nun Abhilfe geschaffen und neue Cashmeran‐artige Duftstoffe hergestellt.
A phase 1 clinical trial of sequential pralatrexate followed by a 48‐hour infusion of 5‐fluorouracil given every other week in adult patients with solid tumors
Authors: Grem Jean L. , Kos Mary E. , Evande Ruby E. , Meza Jane L. , Schwarz James K. 
Published: August 2015

BACKGROUNDPralatrexate (PDX) is an inhibitor of dihydrofolate reductase that was rationally designed to improve cellular uptake and retention of the drug. Preclinical data have shown synergy with the sequential administration of a dihydrofolate reductase inhibitor followed 24 hours later by 5‐fluorouracil (5‐FU).METHODSTwenty‐seven patients were enrolled at 1 of 5 PDX dose levels from 75 to 185 mg/m2 on day 1 followed 24 hours later by 5‐FU at a dose of 3000 mg/m2/48 hours every 2 weeks with folic acid and vitamin B12 supplementation. Baseline blood was collected for pharmacogenetic analysis of polymorphisms of methylenetetrahydrofolate reductase and thymidylate synthase.RESULTSMucositis was the most common dose‐limiting toxicity. When the worst toxicities across all cycles were considered, grade 3 to 4 neutropenia, anemia, and thrombocytopenia were found to have occurred in 14.8%, 14.8%, and 0% of patients, respectively. Grade 2 to 3 toxicities included mucositis (66.6%), dehydration (33.3%), fatigue (25.9%), and diarrhea (22.2%). Version 3.0 of the National Cancer Institute Common Toxicity Criteria was used to grade toxicities The median progression‐free survival (PFS) was 112 days (range, 28‐588 days). Seven patients (26%) had a PFS of >180 days (5 patients with colorectal cancer, 1 patient with pancreatic cancer, and 1 patient with non‐small cell lung cancer). Polymorphisms in methylenetetrahydrofolate reductase and thymidylate synthase did not correlate with toxicity.CONCLUSIONSThe recommended dose of PDX was 148 mg/m2. A subset of heavily pretreated patients had PFS durations of ≥6 months with this regimen. Cancer 2015;121:3862–3868. © 2015 American Cancer Society.
Correlation of p16 immunohistochemistry in FNA biopsies with corresponding tissue specimens in HPV‐related squamous cell carcinomas of the oropharynx
Authors: Jalaly Jalal B. , Lewis James S. , Collins Brian T. , Wu Xingyong , Ma Xiao‐Jun , Luo Yuling , Bernadt Cory T. 
Published: August 2015

BACKGROUNDHuman papillomavirus (HPV)‐related oropharyngeal squamous cell carcinoma (SCC) is a unique form of carcinoma that is important to identify for prognosis and treatment. Immunohistochemistry (IHC) for p16 (also known as cyclin‐dependent kinase inhibitor 2A, multiple tumor suppressor 1) is used as a surrogate marker for transcriptionally active, high‐risk HPV. The primary objective of this study was to correlate p16 IHC of cell blocks from fine‐needle aspirations (FNAs) with surgical pathology specimens of HPV‐related oropharyngeal SCC.METHODSIn total, 48 patients who had a diagnosis of oropharyngeal or nonoropharyngeal SCC and also had an FNA that demonstrated metastatic SCC with available cell block material were identified. IHC for p16 was evaluated on both FNA cell blocks and surgical pathology specimens. In situ hybridization for high‐risk HPV messenger RNA was performed on 31 of the FNA cell blocks.RESULTSAlthough partial p16 staining was observed in the majority of cell blocks, there was concordance in 47 of 48 FNAs (98%) with surgical pathology specimens when strong positive p16 staining of at least 15% of tumor cells in FNA cell block material was present. In addition, high‐risk HPV RNA in situ hybridization demonstrated a high correlation with p16 staining in surgical pathology specimens (96%) and FNAs (93%).CONCLUSIONSThere was excellent correlation between p16 IHC of FNA cell blocks and surgical pathology specimens using a cutoff of at least 15% positive staining in cell blocks. The recommended threshold (70% positive staining) for surgical pathology specimens may yield a high rate of false‐negative results if applied to FNA cell blocks. Cancer (Cancer Cytopathol) 2015;123:723–731. © 2015 American Cancer Society.
Radicals and Dormant Species in Biology and Polymer Chemistry
Authors: Chatgilialoglu Chryssostomos , Ferreri Carla , Matyjaszewski Krzysztof 
Published: August 2015

AbstractThis Review is focused on radicals and dormant species in biology and polymer chemistry. The past two decades have witnessed significant advances in understanding the role, and methods of creation and control, of free radicals in biology and polymer chemistry. The progress reached in both areas has been enabled by the mechanistic understanding and fine‐tuning of the reactivity, selectivity, and persistency of the radical species in multistep processes. The multidisciplinary scientific scenario described in this Review can be useful not only to create bridges and networks between biologists and chemists, but also to provide science with diversity, thereby highlighting aspects of biology and chemical synthesis that are only apparently far from each other. This should also result in widened scientific horizons, thus triggering a transfer from research to innovation.
Linking hydrologic regime, rainfall and leaf litter fall in a riverine forest within the Ramsar Site Humedales Chaco (Argentina)
Authors: Casco Sylvina L. , Galassi María E. , Mari Eliana K. A. , Poi Alicia S. G. , Neiff Juan J. 
Published: August 2015

AbstractThe input of leaf litter from riparian vegetation could be affected by changes in precipitation and modifications to the hydrological regime. We analyse the pattern of leaf litterfall at the community scale as well as the breakdown rate in a mixed gallery forest that covers the levees of the Paraná River oxbow lake. Litterfall was collected biweekly for 4 years that represents different rainfall and hydrologic regimes of the Paraná River including flood and prolonged drought: 1996–1997 (PA), 1999–2000 (PB), 2005–2006 (PC) and 2007–2008 (PD). To analyse leaf breakdown, litter bags were incubated on the forest floor during flooding conditions (FFo) and dry conditions (DFo) and in the oxbow lake (FOx). The total annual leaf litterfall were 8.97, 11.15, 10.42 and 14.43 tn ha−1 yr−1 for PA, PB, PC and PD, respectively. Our results suggest that with the increasing severity of the dry season and decreasing hydrologic connectivity, the annual leaf litterfall increases, whereas its seasonal pattern does not change. Regardless of the seasonal pattern of rainfall and hydrological regime in each study period, leaf fall occurred throughout the year, and the peak was recorded between August and October. Leaves decomposed fastest in FOx, and the leaf breakdown on the forest floor was slower during flooding conditions than in dry conditions. Regular floods are natural occurrences that do not affect the leaf production of the Paraná mixed forest, and the leaf processing depends on the oxygen concentrations. Prolonged droughts led to high annual leaf production, which is mainly processed within this forest. Copyright © 2015 John Wiley & Sons, Ltd.