bluuebunny/crossref_metadata_2025_split huggingface dataset:
IR Spectrum and Structure of Protonated Monosilanol: Dative Bonding between Water and the Silylium Ion
Authors: George Martin Andreas Robert , Truong Nguyen Xuan , Savoca Marco , Dopfer Otto 
Published: January 2018

AbstractWe report the spectroscopic characterization of protonated monosilanol (SiH3OH2+) isolated in the gas phase, thus providing the first experimental determination of the structure and bonding of a member of the elusive silanol family. The SiH3OH2+ ion is generated in a silane/water plasma expansion, and its structure is derived from the IR photodissociation (IRPD) spectrum of its Ar cluster measured in a tandem mass spectrometer. The chemical bonding in SiH3OH2+ is analyzed by density functional theory (DFT) calculations, providing detailed insight into the nature of the dative H3Si+‐OH2 bond. Comparison with protonated methanol illustrates the differences in bonding between carbon and silicon, which are mainly related to their different electronegativity and the different energy of the vacant valence pz orbital of SiH3+ and CH3+.
Tuning the Adsorption Energy of Methanol Molecules Along Ni‐N‐Doped Carbon Phase Boundaries by the Mott–Schottky Effect for Gas‐Phase Methanol Dehydrogenation
Authors: Xue Zhong‐Hua , Han Jing‐Tan , Feng Wei‐Jie , Yu Qiu‐Ying , Li Xin‐Hao , Antonietti Markus , Chen Jie‐Sheng 
Published: January 2018

AbstractEngineering the adsorption of molecules on active sites is an integral and challenging part for the design of highly efficient transition‐metal‐based catalysts for methanol dehydrogenation. A Mott–Schottky catalyst composed of Ni nanoparticles and tailorable nitrogen‐doped carbon‐foam (Ni/NCF) and thus tunable adsorption energy is presented for highly efficient and selective dehydrogenation of gas‐phase methanol to hydrogen and CO even under relatively high weight hourly space velocities (WHSV). Both theoretical and experimental results reveal the key role of the rectifying contact at the Ni/NCF boundaries in tailoring the electron density of Ni species and enhancing the absorption energies of methanol molecules, which leads to a remarkably high turnover frequency (TOF) value (356 mol methanol mol−1 Ni h−1 at 350 °C), outpacing previously reported bench‐marked transition‐metal catalysts 10‐fold.
Coordination modes of multidentate azodye ligand derived from 4,4′‐methylenedianiline towards some transition metal ions: Synthesis, spectral characterization, thermal investigation and biological activity
Authors: Abouel‐Enein Saeyda A. , Emam Sanaa M. , Monir Eman 
Published: January 2018

Nine new azodye metal complexes of Mn(II), Co(II), Ni(II), Cu(II), Cr(III), Fe(III), Ru(III), Hf(IV) and Zr(IV) ions have been prepared via the reaction of 5,5′‐((1E,1′E)‐(methylenebis(1,4‐phenylene))bis(diazene‐2,1‐diyl))bis(6‐hydroxy‐2‐thioxo‐2,3‐dihydropyrimidin‐4(5H)‐one) (H4L) with the corresponding metal salts affording sandwich (1 L:1 M), mononuclear (2 L:1 M), binuclear (1 L,2 M) and tetranuclear (1 L,4 M) complexes. Elemental analyses, spectral methods, magnetic moment measurements and thermal studies were utilized to confirm the mode of bonding and geometrical structure for the ligand and its metal complexes. Infrared spectral data show that the H4L ligand chelates with some metal ions in keto–enol–thione or keto–thione manner. It behaves in a neutral/dibasic tetradentate fashion in sandwich and binuclear complexes. Also, it acts as a neutral bidentate moiety in the Cr(III) complex. The spectra reveal that azo group participates in chelation in all complexes. Octahedral geometry was suggested for all chelates but the Cu(II) complex with square planar geometry. The thermal stability and decomposition of the compounds were studied, the data showing that the thermal decomposition ended with metal or metal oxide mixed with carbon as final product. The electron spin resonance spectrum of the Cu(II) complex demonstrates that the free electron is located in the (
) orbital. Measurements of biological activity against human cell lines Hep‐G2 and MCF‐7 reveal that the Cu(II) complex has a higher cytotoxicity in comparison to the free ligand and other metal complexes, with IC50 values of 6.10 and 5.2 μg ml−1, respectively, while the ligand has anti‐tumour activity relative to some of the investigated metal complexes.
Synthesis of novel Dy3+ activated Ba2CaZn2Si6O17 phosphors for white light‐emitting diodes
Authors: Annadurai G. , Masilla Moses Kennedy S. , Sivakumar V. 
Published: January 2018

AbstractDysprosium ion (Dy3+) activated Ba2CaZn2Si6O17 phosphors were synthesized using high temperature solid‐state reaction method. Powder X‐ray diffraction (PXRD) analysis confirmed the phase formation of the as‐prepared phosphors. Scanning electron microscopy (SEM) analysis disclosed an agglomeration of particles with an irregular morphology. Under 350 nm excitation, the emission spectrum of Dy3+ ions showed bands at 481 nm (blue), 577 nm (yellow) and 674 nm (red). The influence of the Dy3+ concentration on its emission intensity was investigated. The optimum concentration of Dy3+ ions in the Ba2CaZn2Si6O17:Dy3+ phosphors were found to be x = 0.06. The critical energy transfer distance was calculated. The fluorescence lifetime was also determined for Ba2CaZn2Si6O17:0.06Dy3+. The Commission International deI’Eclairage (CIE) chromaticity coordinates of the phosphor were calculated to be x = 0.304, y = 0.382. The activation energy for the thermal quenching was calculated to be 0.168 eV. These results indicated that the Ba2CaZn2Si6O17:Dy3+ phosphor might be a potential candidate for near ultraviolet (NUV)‐based white light‐emitting diodes.
2,2′‐Bipyridine Equipped with a Disulfide/Dithiol Switch for Coupled Two‐Electron and Two‐Proton Transfer
Authors: Cattaneo Mauricio , Schiewer Christine E. , Schober Anne , Dechert Sebastian , Siewert Inke , Meyer Franc 
Published: January 2018

Abstract[1,2]Dithiino[4,3‐b:5,6‐b′]dipyridine (1) and its protonated open form 3,3′‐dithiol‐2,2′‐bipyridine (2) were synthesised and their interconversion investigated. The X‐ray structure of 2 revealed an anti orientation of the two pyridine units and a zwitterionic form. In depth electrochemical studies in combination with DFT calculations lead to a comprehensive picture of the redox chemistry of 1 in the absence and presence of protons. Initial one‐electron reduction at E1=−1.20 V results in the formation of the radical anion 1red with much elongated S−S bond, which readily undergoes further reduction at E2=−1.38 V. Water triggers a potential inversion (E≥−1.13 V for the second reduction) as the radical anion 1red is protonated at its basic N atom. DFT studies revealed that S−S bond breaking and twisting of the pyridine units generally occurs after the second reduction step, whereas the potential inversion induced by protonation is a result of charge compensation. The CV data were simulated to derive rate constants for the individual chemical and electrochemical reactions for both scenarios in the absence and presence of protons.
The bioliq® Entrained‐Flow Gasifier – a Module for the German Energiewende
Authors: Eberhard Mark , Santo Ulrike , Böning David , Schmid Hannah , Michelfelder Bernd , Zimmerlin Bernd , Günther Armin , Weigand Peter , Müller‐Hagedorn Matthias , Stapf Dieter , Kolb Thomas 
Published: January 2018

AbstractDas bioliq®‐Verfahren wurde am Karlsruher Institut für Technologie (KIT) zur Herstellung von synthetischen Kraftstoffen aus Restbiomasse entwickelt. Das mehrstufige Verfahren berücksichtigt sowohl die dezentrale Verfügbarkeit von Biomasse als auch die Notwendigkeit einer großtechnischen Synthese von Kraftstoffen. Der gesamte Prozess wird im Pilotmaßstab am KIT betrieben. Der Hochdruckflugstromvergaser, von Air Liquide Global E&C Solutions, wandelt die in einer Schnellpyrolyse vorbehandelte Biomasse in Synthesegas um, das in der anschließenden Synthese zur Benzinproduktion eingesetzt wird. Erste Ergebnisse der Anlage werden präsentiert.
Bleichsysteme für Haushaltswaschmittel
Authors: Dreja Michael , Hätzelt André , Bluhm Nadine 
Published: January 2018

ZusammenfassungDie Weiterentwicklung von chemischen Bleichsystemen, insbesondere von aktivierter und katalysierter Persauerstoffbleiche in festen Waschmitteln, hat zu signifikanten Verbesserungen bei der Leistungsfähigkeit solcher Produkte in Bezug auf Fleckentfernung, Weißgrad und Hygiene geführt. Heute existieren metallhaltige und metallfreie organische Katalysatoren, die in Kombination mit dem weit verbreiteten System Percarbonat/TAED die Lücke zwischen 20 °C und 40 °C schließen. Umwelt und Verbraucher profitieren neben der Reduktion der Dosierung um 75 % in den letzten 40 Jahren von direkten Kosteneinsparungen durch geringeren Energieverbrauch bei Reduktion der Waschtemperatur. Die Kompaktierung hat neue Produktformen wie vordosierte Waschmittelportionen ermöglicht. Offen sind weiterhin die Anwendung katalytischer Bleichsysteme in Flüssigwaschmitteln und die Nutzung von Sauerstoff aus der Luft. Die weiter voranschreitende Integration von Waschmitteln in Waschmaschinen, etwa durch automatische Dosierung und verbesserte Fleckensensorik, wird dazu führen, dass Bleichsysteme in Zukunft weiter optimiert und noch gezielter eingesetzt werden können, um das Waschen noch nachhaltiger und verbraucherfreundlicher zu gestalten.
Effects of intravenous home dobutamine in palliative end‐stage heart failure on quality of life, heart failure hospitalization, and cost expenditure
Authors: Martens Pieter , Vercammen Jan , Ceyssens Wendy , Jacobs Linda , Luwel Evert , Van Aerde Herwig , Potargent Peter , Renaers Monique , Dupont Matthias , Mullens Wilfried 
Published: January 2018

AbstractAimsIn patients with palliative end‐stage heart failure, interventions that could provide symptomatic relief and prevent hospital admissions are important. Ambulatory continuous intravenous inotropes have been advocated by guidelines for such a purpose. We sought to determine the effect of intravenous dobutamine on symptomatic status, hospital stay, mortality, and cost expenditure.Methods and resultsAll consecutive end‐stage heart failure patients not amenable for advanced therapies and discharged with continuous intravenous home dobutamine from a single tertiary centre between April 2011 and January 2017 were retrospectively analysed. Dobutamine (fixed dose) was infused through a single‐lumen central venous catheter with a small pump that was refilled by a nurse on a daily basis. Symptomatic status was longitudinally assessed as the change in New York Heart Association class and patient global assessment scale. Antecedent and incident heart failure hospitalizations were determined in a paired fashion, and cost impact was assessed. A total of 21 patients (age 77 ± 9 years) were followed up for 869 ± 647 days. At first follow‐up (6 ± 1 weeks) after the initiation of dobutamine, patients had a significant improvement in New York Heart Association class (−1.29 ± 0.64; P < 0.001), global assessment scale (<0.001), and N‐terminal pro‐brain natriuretic peptide (6247 vs. 2543 pg/mL; P = 0.033). Incident heart failure hospitalizations assessed at 3, 6, and 12 months were significantly reduced (P < 0.001 for all) in comparison with antecedent heart failure hospitalizations over the same time period. Cost expenditure was significantly lower at 3 (P < 0.001), 6 (P = 0.005), and 12 months (P = 0.001) after initiation of dobutamine. Mortality rate at 1 year was 48% with 9/12 (75%) patients dying at home, most often from progressive pump failure.ConclusionsContinuous intravenous home dobutamine in patients with palliative end‐stage heart failure is feasible and associated with improved symptomatic status, heart failure hospitalizations, and health‐care‐related costs. Nevertheless, results should be interpreted in the context of the small and retrospective design. Larger studies are necessary to evaluate the effect of dobutamine in palliative end‐stage heart failure.
Incidence and prognostic impact of cytogenetic aberrations in patients with systemic mastocytosis
Authors: Naumann Nicole , Jawhar Mohamad , Schwaab Juliana , Kluger Sebastian , Lübke Johannes , Metzgeroth Georgia , Popp Henning D. , Khaled Nada , Horny Hans‐Peter , Sotlar Karl , Valent Peter , Haferlach Claudia , Göhring Gudrun , Schlegelberger Brigitte , Meggendorfer Manja , Hofmann Wolf‐Karsten , Cross Nicholas C.P. , Reiter Andreas , Fabarius Alice 
Published: January 2018

AbstractThe clinical behavior of systemic mastocytosis (SM) is strongly associated with activating mutations in KIT (D816V in >80% of cases), with the severity of the phenotype influenced by additional somatic mutations, for example, in SRSF2, ASXL1, or RUNX1. Complex molecular profiles are frequently associated with the presence of an associated hematologic neoplasm (AHN) and an unfavorable clinical outcome. However, little is known about the incidence and prognostic impact of cytogenetic aberrations. We analyzed cytogenetic and molecular characteristics of 109 patients (KIT D816V+, n = 102, 94%) with indolent (ISM, n = 26) and advanced SM (n = 83) with (n = 73, 88%) or without AHN. An aberrant karyotype was identified in SM‐AHN (16/73, 22%) patients only. In patients with an aberrant karyotype, additional somatic mutations were identified in 12/16 (75%) patients. Seven of 10 (70%) patients with a poor‐risk karyotype, for example, monosomy 7 or complex karyotype, and 1/6 (17%) patients with a good‐risk karyotype progressed to secondary acute myeloid leukemia (n = 7) or mast cell leukemia (n = 1) within a median of 40 months (range 2‐190, P = .04). In advanced SM, the median overall survival (OS) of poor‐risk karyotype patients was significantly shorter than in good‐risk/normal karyotype patients (4 vs 39 months; hazard ratio 11.7, 95% CI 5.0‐27.3; P < .0001). Additionally, the shortened OS in patients with poor‐risk karyotype was independent from the mutation status. In summary, a poor‐risk karyotype is an independent prognostic variable in advanced SM. Cytogenetic and molecular analyses should be routinely performed in all patients with advanced SM ± AHN because these investigations greatly support prognostication and treatment decisions.
Cretaceous basalts of the High Arctic large igneous province at Axel Heiberg Island (Canada): Volcanic stratigraphy, geodynamic setting, and origin
Authors: Dostal Jaroslav , MacRae Andrew 
Published: January 2018

The Cretaceous (Cenomanian, ~96 Ma) basaltic rocks of the Strand Fiord Formation of the Sverdrup Basin of the Canadian Arctic Archipelago, Nunavut, Canada, are a part of the High Arctic large igneous province. The basaltic suite reaches a thickness of almost 1,000 m on Axel Heiberg Island in its depocentre and over 700 m at the studied section. The rocks are variably fractionated tholeiitic basalts, which are geochemically similar to many other continental flood basalts, particularly to low Ti basalts of flood basalt provinces. Geochemical as well as Sr (87Sr/86Srinitial~ 0.7045 to 0.7067) and Nd (ƐNd(t)~ +1.3 to +4.3) isotopic signatures of the basalts were inherited during partial melting of spinel peridotite of an ancient subcontinental lithospheric mantle, which was modified around 0.7–0.9 Ga by a metasomatic event. The melting generating the Cretaceous basalts was probably triggered by a mantle plume but was also associated with basin rifting and stretching. There is evidence of plume‐induced doming and uplift of the crust prior to and during the eruption of the basalts as documented by the progression from marine sedimentation to subaerial/lacustrine and then back to marine sedimentation in the Sverdrup Basin centre. The basalts represent parts of the Early Cretaceous igneous province that is dispersed around the Arctic Ocean due to the opening of the Canada Basin, which is inferred to be related to a mantle plume.
Involvement of the dorsal hippocampus in expression and extinction of cocaine‐induced conditioned place preference
Authors: Hitchcock Leah N. , Lattal K. Matthew 
Published: January 2018

AbstractA key aspect of substance abuse is that drug taking often occurs in a specific context. As a consequence, exposure to drug‐associated contexts can trigger cravings and relapse, even after long periods of abstinence. Although many studies have demonstrated that the hippocampus is critical for developing and retrieving contextual and spatial memories, comparatively little is known about the role of the hippocampus in acquiring and inhibiting memories involving contexts and drugs of abuse. We examined the effects of hippocampal inactivation on expression of cocaine‐induced conditioned place preference (CPP) after initial acquisition or extinction of CPP in C57BL/6 mice. During acquisition of CPP, distinct tactile cues were paired with cocaine (20 mg kg−1, intraperitoneal, CS+) and different tactile cues were paired with saline (CS−) on alternate days. Groups differed in whether the CS+ and CS− cues were presented in the same large space (one‐compartment procedure) or distinct small spaces (two‐compartment procedure), as previous findings demonstrate that a two‐compartment configuration facilitates acquisition and attenuates extinction of a cocaine‐induced CPP. Microinjection of the GABAA agonist, muscimol, into the dorsal hippocampus impaired (1) retrieval of a place preference after acquisition, (2) extinction of a place preference, and (3) retrieval of extinction. These effects differed depending on the spatial configuration during acquisition or extinction, suggesting that the dorsal hippocampus may differentially modulate drug seeking during retrieval and extinction of CPP.
Access to What? English, Texts, and Social Justice Pedagogy
Authors: Brauer Lydia 
Published: January 2018

AbstractDrawing from Buckingham's media education framework, this article uses content analysis to review one of the most recent and far‐reaching disciplinary constructions of English in the United States, the Common Core State Standards for English Language Arts, in light of its engagement with larger social practices involved in text production, representation, and audience meaning making. This analysis demonstrates that the Common Core's Anchor Standards miss significant opportunities to connect texts and literacies to broader social, economic, and political contexts of text content, production, and reception—contexts that can provide a disciplinary foundation for social justice pedagogy in English language arts.
Comparative RNA‐Seq transcriptome analysis on silica induced pulmonary inflammation and fibrosis in mice silicosis model
Authors: Chen Jiayi , Yao Yuqin , Su Xiaolan , Shi Ying , Song Xuejiao , Xie Linshen , You Jia , Tian Liantian , Yang Luo , Fang Aiping , Xiong Jingyuan 
Published: January 2018

AbstractSilicosis is a long‐established public health issue in developing countries due to increasingly serious air pollution and poorly implemented occupational safety regulation. Inhalation of silica triggers cytotoxicity, oxidative stress, pulmonary inflammation and eventually silicosis. Current understanding in the pathogenesis and mechanism of silicosis is limited, and no effective cure is clinically available once silicosis is developed. A number of studies were conducted to investigate silica‐induced alternate gene expressions in pulmonary cells. However, transcriptome analysis in a silicosis animal model is needed. This study was performed to evaluate the transcriptional alternations in silicotic mice using comparative RNA‐Seq. A silicosis mice model was established by intratracheal instillation of silica suspensions, and validated by histological examinations. High‐throughput sequencing and differential gene expression analysis revealed 749 upregulated genes and 70 downregulated genes in the silicosis model. Genes related to immune cell interactions, immune cell responses and inflammation were significantly enriched. Cytokine–cytokine receptor interaction and downstream JAK‐STAT signaling pathways were the most significantly enriched KEGG pathways. Reverse transcription–polymerase chain reaction analysis and immunohistochemistry were performed to validate further the differential expression patterns of representative genes. The reported results in this study provide the basis for elucidating the molecular mechanisms for silica‐induced pulmonary inflammation and fibrosis, and support the prevention and treatment of silicosis.
The effects of wireless electromagnetic fields on the activities of carbonic anhydrase and acetylcholinesterase enzymes in various tissues of rats
Authors: Kocyigit Umit Muhammet , Taslimi Parham , Gurses Fatih , Soylu Sinan , Durna Dastan Sevgi , Gulcin İlhami 
Published: January 2018

AbstractThe purpose of our study is to assist in understanding the effects of wireless electromagnetic waves on carbonic anhydrase (CA) and acetylcholinesterase (AChE) enzymes activities in the different tissues of the rats. For this purpose, two different groups each of which contains eight rats (n = 8) were formed as being control group and wireless electromagnetic wave‐administered group. The rats were necropsied after 60 min from the injection of chemicals into the rats intraperitoneally. The different tissues of the rats were extracted. CA and AChE enzymes activities were measured for each tissue. All the experimental results were provided in mean ± S.D. Statistical significance was identified to be P < 0.05. It was observed that there were significant changes of enzyme activities in wireless‐administered group in salivary gland, stomach, colon, liver, and striated muscle tissues.
Misregulation of membrane trafficking processes in human nonalcoholic steatohepatitis
Authors: Dzierlenga Anika L. , Cherrington Nathan J. 
Published: January 2018

AbstractNonalcoholic steatohepatitis (NASH) remodels the expression and function of genes and proteins that are critical for drug disposition. This study sought to determine whether disruption of membrane protein trafficking pathways in human NASH contributes to altered localization of multidrug resistance‐associated protein 2 (MRP2). A comprehensive immunoblot analysis assessed the phosphorylation, membrane translocation, and expression of transporter membrane insertion regulators, including several protein kinases (PK), radixin, MARCKS, and Rab11. Radixin exhibited a decreased phosphorylation and total expression, whereas Rab11 had an increased membrane localization. PKCδ, PKCα, and PKA had increased membrane activation, whereas PKCε had a decreased phosphorylation and membrane expression. Radixin dephosphorylation may activate MRP2 membrane retrieval in NASH; however, the activation of Rab11/PKCδ and PKA/PKCα suggest an activation of membrane insertion pathways as well. Overall these data suggest an altered regulation of protein trafficking in human NASH, although other processes may be involved in the regulation of MRP2 localization.
Interleukin‐6 contributes to chemoresistance in MDA‐MB‐231 cells via targeting HIF‐1α
Authors: Wang Ke , Zhu Xue , Zhang Kai , Yin Yongxiang , Chen Yu , Zhang Ting 
Published: January 2018

AbstractChemoresistance is a critical challenge in the clinical treatment of triple‐negative breast cancer (TNBC). It has been well documented that inflammatory mediators from tumor microenvironment are involved in the pathogenesis of TNBC and might be related to chemoresistance of cancer cells. In this study, the contribution of interleukin‐6 (IL‐6), one of the principal oncogenic molecules, in chemoresistance of a TNBC cell line MDA‐MB‐231 was first investigated. The results showed that IL‐6 treatment could induce upregulation of HIF‐1α via the activation of STAT3 in MDA‐MB‐231 cells, which consequently contributed to its effect against chemotherapeutic drug‐induced cytotoxicity and cell apoptosis. However, knockdown of HIF‐1α attenuated such effect via affecting the expressions of apoptosis‐related molecules as Bax and Bcl‐2 and drug transporters as P‐gp and MRP1. This study indicated that targeting at IL‐6/HIF‐1α signaling pathway might be an effective strategy to overcome chemoresistance in TNBC therapy.