bluuebunny/crossref_metadata_2025_split huggingface dataset:
{1,1′‐(Dimethylsilylene)bis[methanechalcogenolato]}diiron Complexes [2Fe2E(Si)] (E=S, Se, Te) – [FeFe] Hydrogenase Models
Authors: Apfel Ulf‐Peter , Görls Helmar , Felton Greg A. N. , Evans Dennis H. , Glass Richard S. , Lichtenberger Dennis L. , Weigand Wolfgang 
Published: November 2012

Abstract(Bis‐selenolato) and (bis‐tellurolato)diiron complexes [2Fe2E(Si)] were prepared and compared with the known (bis‐thiolato)diiron complex A to assess their ability to produce hydrogen from protons. Treatment of [Fe3(CO)12] with 4,4‐dimethyl‐1,2,4‐diselenasilolane (1) in boiling toluene afforded hexacarbonyl{μ‐{[1,1′‐(dimethylsilylene)bis[methaneselenolato‐κSe : κSe]](2 −)}}diiron(FeFe) (2). The analog bis‐tellurolato complex hexacarbonyl{μ‐{[1,1′‐(dimethylsilylene)bis[methanetellurolato‐κTe : κTe]](2 −)}}diiron(FeFe) (3) was obtained by treatment of [Fe3(CO)12] with dimethylbis(tellurocyanatomethyl)dimethylsilane, which was prepared in situ. All compounds were characterized by NMR, IR spectroscopy, mass spectrometry, elemental analysis and single‐crystal X‐ray analysis. The electrocatalytic properties of the [2Fe2X(Si)] (X=S, Se, Te) model complexes A, 1, and 2 towards hydrogen formation were evaluated.
CuI‐Mediated Trifluoromethylations with Stannanes. Preliminary Communication
Authors: Sanhueza Italo A. , Nielsen Mads C. , Ottiger Marcel , Schoenebeck Franziska 
Published: November 2012

Abstract(Trifluoromethyl)stannane reagents such as Bu3SnCF3 are effective in CuI‐mediated trifluoromethylation reactions of aryl iodides. The reactions proceed via the intermediacy of [CuCF3] species.
Room Temperature Synthesis and Size Control of HKUST‐1
Authors: Majano Gerardo , Pérez‐Ramírez Javier 
Published: November 2012

AbstractWe report the synthesis of HKUST‐1 (Cu3(btc)2; btc=benzene‐1,3,5‐tricarboxylate) and its growth kinetics by dynamic light scattering completely at room temperature without prior nucleation‐induction steps. Upon an increase in concentration of the starting solutions, the generation of a pure phase requires adjustment of the H2O/EtOH ratio. The presence of DMF is important to avoid competitive side phases. Replacement of DMF by a minimal amount of diethylamine resulted in the instantaneous formation of pure HKUST‐1 upon mixing at room temperature. Additionally, the synthesis parameters strongly influence the final crystallite size and porous properties.
Emotional Expression and Language: A Longitudinal Study of Typically Developing Earlier and Later Talkers from 15 to 30 Months
Authors: Kubicek Lorraine F. , Emde Robert N. 
Published: November 2012

AbstractChildren's emotional expression and language both develop during infancy and early childhood, yet these two communication systems have been studied primarily in isolation. This study focuses instead on assessing therelationbetween them just as productive language emerges during toddlerhood. Seventy‐seven typically developing, firstborn toddlers and their families were recruited at 13 months of age. Using an extreme groups design, earlier and later talkers were selected based on their MacArthur Communicative Development Inventory production scores. Laboratory visits occurred at 15, 21, and 30 months; home visits occurred at 3‐month intervals from 15 to 30 months. Observational and parent report measures assessed child language, emotional expression, temperament, and overall developmental functioning. Parents also reported on parenting stress and family life events. Overall, results support a significant relation between emotional expression and productive language that varies according to the specific emotion, a finding that may resolve earlier contradictory results in this area. Earlier talkers expressed more joy/pleasure than did later talkers, but later talkers expressed more fear and anger than did earlier talkers. Potential contributions of various child/family factors were explored. Child temperament is proposed as influencing this relation through its effects on the child's transactions with the caregiving environment.
EphB4 enhances the process of endochondral ossification and inhibits remodeling during bone fracture repair
Authors: Arthur Agnieszka , Panagopoulos Romana A , Cooper Lachlan , Menicanin Danijela , Parkinson Ian H , Codrington John D , Vandyke Kate , Zannettino Andrew CW , Koblar Simon A , Sims Natalie A , Matsuo Koichi , Gronthos Stan 
Published: November 2012

Abstract
Previous reports have identified a role for the tyrosine kinase receptor EphB4 and its ligand, ephrinB2, as potential mediators of both bone formation by osteoblasts and bone resorption by osteoclasts. In the present study, we examined the role of EphB4 during bone repair after traumatic injury. We performed femoral fractures with internal fixation in transgenic mice that overexpress EphB4 under the collagen type 1 promoter (Col1-EphB4) and investigated the bone repair process up to 12 weeks postfracture. The data indicated that Col1-EphB4 mice exhibited stiffer and stronger bones after fracture compared with wild-type mice. The fractured bones of Col1-EphB4 transgenic mice displayed significantly greater tissue and bone volume 2 weeks postfracture compared with that of wild-type mice. These findings correlated with increased chondrogenesis and mineral formation within the callus site at 2 weeks postfracture, as demonstrated by increased safranin O and von Kossa staining, respectively. Interestingly, Col1-EphB4 mice were found to possess significantly greater numbers of clonogenic mesenchymal stromal progenitor cells (CFU-F), with an increased capacity to form mineralized nodules in vitro under osteogenic conditions, when compared with those of the wild-type control mice. Furthermore, Col1-EphB4 mice had significantly lower numbers of TRAP-positive multinucleated osteoclasts within the callus site. Taken together, these observations suggest that EphB4 promotes endochondral ossification while inhibiting osteoclast development during callus formation and may represent a novel drug target for the repair of fractured bones. © 2013 American Society for Bone and Mineral Research.
Design, Synthesis, and Antifungal Activities of New β‐Methoxyacrylate Analogues
Authors: Liu Hui‐Jun , Zhang Xiang , Gao Yong‐Xin , Li Jian‐Zhong , Wang Hui‐Li 
Published: November 2012

AbstractStrobilurins have become one of the most important classes of agricultural fungicides. To search for new strobilurin derivatives with high activity against resistant pathogens, a series of new β‐methoxyacrylate analogues containing substituted pyrimidine in the side chain with strobilurin pharmacophore were synthesized and their biological activities were tested. The compounds were confirmed and characterized by 1H‐NMR, elemental analysis and mass spectroscopy. The bioassays indicated that most of the compounds 1 exhibited potent antifungal activities against Colletotrichum orbiculare, Botrytis cinerea Pers and Phytophthora capsici Leonian at a concentration of 50 μg mL−1. Notably, compound 1b (R = 2,5‐dimethylphenyl) showed better antifungal activity against all the tested fungi than the commercial strobilurin fungicide azoxystrobin.
Sex‐Specific Consequences of Experimental Cortisol Elevation in Pre‐Reproductive Wild Largemouth Bass
Authors: O'Connor Constance M. , Nannini Michael , Wahl David H. , Wilson Samantha M. , Gilmour Kathleen M. , Cooke Steven J. 
Published: November 2012

AbstractExperimental implants were used to investigate the effect of elevated cortisol (the primary stress hormone in teleost fish) on energetic and physiological condition prior to reproduction in male and female largemouth bass (Micropterus salmoides). Fish were wild‐caught from lakes in Illinois, and held in experimental ponds for the duration of the study. Between 9 and 13 days after cortisol treatment, and immediately prior to the start of the reproductive period, treated and control animals were sampled. Females exhibited lower muscle lipid content, lower liver glycogen content, and higher hepatosomatic indices than males, regardless of treatment. Also, cortisol‐treated females had higher hepatosomatic indices and lower final mass than control females, whereas males showed no differences between treatment groups. Finally, cortisol‐treated females had higher gonadal cortisol concentrations than control females. In general, we found evidence of reduced energetic stores in female fish relative to male fish, likely due to timing differences in the allocation of resources during reproduction between males and females. Perhaps driven by the difference in energetic reserves, our data further suggest that females are more sensitive than males to elevated cortisol during the period immediately prior to reproduction. J. Exp. Zool. 319A:23–31, 2013. © 2012 Wiley Periodicals, Inc.
Hyperpolarized 13C metabolic imaging using dissolution dynamic nuclear polarization
Authors: Hurd Ralph E. , Yen Yi‐Fen , Chen Albert , Ardenkjaer‐Larsen Jan Henrik 
Published: November 2012

AbstractThis article describes the basic physics of dissolution dynamic nuclear polarization (dissolution‐DNP), and the impact of the resulting highly nonequilibrium spin states, on the physics of magnetic resonance imaging (MRI) detection. The hardware requirements for clinical translation of this technology are also presented. For studies that allow the use of externally administered agents, hyperpolarization offers a way to overcome normal magnetic resonance sensitivity limitations, at least for a brief T1‐dependent observation window. A 10,000–100,000‐fold signal‐to‐noise advantage provides an avenue for real‐time measurement of perfusion, metabolite transport, exchange, and metabolism. The principles behind these measurements, as well as the choice of agent, and progress toward the application of hyperpolarized 13C metabolic imaging in oncology, cardiology, and neurology are reviewed. J. Magn. Reson. Imaging 2012; 36:1314–1328. © 2012 Wiley Periodicals, Inc.
Silencing the expression of connexin 43 decreases inflammation and joint destruction in experimental arthritis
Authors: Tsuchida Shinji , Arai Yuji , Kishida Tsunao , Takahashi Kenji A. , Honjo Kuniaki , Terauchi Ryu , Inoue Hiroaki , Oda Ryo , Mazda Osam , Kubo Toshikazu 
Published: November 2012

AbstractThe objective of the present study was to determine whether the expression of connexin 43 (Cx43) effected on inflammatory conditions in rat fibroblast‐like synoviocytes (FLS) and on rat model of rheumatoid arthritis (RA). The expression of Cx43 in rat FLS stimulated with lipopolysaccharide (LPS) was confirmed by real‐time reverse transcriptase polymerase chain reaction (RT‐PCR). The effects of small‐interfering RNA targeting Cx43 (siCx43) on pro‐inflammatory cytokines and chemokine were assessed by real‐time RT‐PCR and enzyme‐linked immunosorbent assay (ELISA). The therapeutic and side effects of siCx43 in a rat model of collagen‐induced arthritis (CIA) were examined by in vivo electroporation method. LPS markedly enhanced Cx43 gene expression in rat FLS, with transfection of siCx43 suppressing the over‐expression of pro‐inflammatory cytokines and the chemokine. Treatment of CIA rats with siCx43 significantly ameliorated paw swelling, and significantly reduced histological arthritis scores and radiographic scores. In histological appearance of rat ankle joints, siCx43 treatment significantly decreased the number of tartrate‐resistant acid phosphatase (TRAP)‐positive (osteoclast‐like) cells. These findings indicated that siCx43 had anti‐inflammatory effects in rat FLS and efficiently inhibited the development of CIA. Cx43 may play an important role in the pathophysiology of RA, and may be a potential target molecule for novel RA therapies. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 31: 525–530, 2013
Green Polymer Chemistry and Bio‐based Plastics: Dreams and Reality
Authors: Mülhaupt Rolf 
Published: November 2012

AbstractDwindling fossil resources, surging energy demand and global warming stimulate growing demand for renewable polymer products with low carbon footprint. Going well beyond the limited scope of natural polymers, biomass conversion in biorefineries and chemical carbon dioxide fixation are teamed up with highly effective tailoring, processing and recycling of polymers. “Green monomers” from biorefineries, and “renewable oil”, gained from plastics' and bio wastes, render synthetic polymers renewable without impairing their property profiles and recycling. In context of biofuel production, limitations of the green economy concepts are clearly visible. Dreams and reality of “green polymers” are highlighted. Regardless of their new greenish touch, highly versatile and cost‐effective polymers play an essential role in sustainable development.
Application of mass spectrometry to hair analysis for forensic toxicological investigations
Authors: Vincenti Marco , Salomone Alberto , Gerace Enrico , Pirro Valentina 
Published: November 2012

AbstractThe increasing role of hair analysis in forensic toxicological investigations principally owes to recent improvements of mass spectrometric instrumentation. Research achievements during the last 6 years in this distinctive application area of analytical toxicology are reviewed. The earlier state of the art of hair analysis was comprehensively covered by a dedicated book (Kintz, 2007a. Analytical and practical aspects of drug testing in hair. Boca Raton: CRC Press and Taylor & Francis, 382 p) that represents key reference of the present overview. Whereas the traditional organization of analytical methods in forensic toxicology divided target substances into quite homogeneous groups of drugs, with similar structures and chemical properties, the current approach often takes advantage of the rapid expansion of multiclass and multiresidue analytical procedures; the latter is made possible by the fast operation and extreme sensitivity of modern mass spectrometers. This change in the strategy of toxicological analysis is reflected in the presentation of the recent literature material, which is mostly based on a fit‐for‐purpose logic. Thus, general screening of unknown substances is applied in diverse forensic contexts than drugs of abuse testing, and different instrumentation (triple quadrupoles, time‐of‐flight analyzers, linear and orbital traps) is utilized to optimally cope with the scope. Other key issues of modern toxicology, such as cost reduction and high sample throughput, are discussed with reference to procedural and instrumental alternatives. © 2012 Wiley Periodicals, Inc., Mass Spec Rev 32:312–332, 2013
PANK2 and C19orf12 mutations are common causes of neurodegeneration with brain iron accumulation
Authors: Dezfouli Mitra Ansari , Alavi Afagh , Rohani Mohammad , Rezvani Mohamad , Nekuie Tayebeh , Klotzle Brandy , Tonekaboni Seyed Hasan , Shahidi Gholam Ali , Elahi Elahe 
Published: November 2012

BackgroundNeurodegeneration with brain iron accumulation (NBIA) constitutes a group of neurodegenerative disorders with pronounced iron deposition in the basal ganglia. PANK2 mutations are the most common cause of these disorders. C19orf12 was recently reported as another causative gene. We present phenotypic data and results of screening of PANK2 and C19orf12 in 11 unrelated Iranian NBIA patients.MethodsPhenotypic data were obtained by neurologic examination, magnetic resonance imaging, and interviews. Mutation screening of PANK2 and C19orf12 was performed by sequencing.ResultsPANK2 and C19orf12 mutations were found in 7 and 4 patients, respectively. Phenotypic comparisons suggest that C19orf12 mutations as compared with PANK2 mutations result in a milder disease course.ConclusionsMutations in both PANK2 and C19orf12 contributed significantly to NBIA in the Iranian patients. To the best of our knowledge, this is the first genetic analysis reported on a cohort of NBIA patients from the Middle East. © 2012 Movement Disorder Society
QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae
Authors: Gramatica Paola , Cassani Stefano , Roy Partha Pratim , Kovarich Simona , Yap Chun Wei , Papa Ester 
Published: November 2012

AbstractA case study of toxicity of (benzo)triazoles ((B)TAZs) to the algaePseudokirchneriella subcapitatais used to discuss some problems and solutions in QSAR modeling, particularly in the environmental context. The relevance of data curation (not only of experimental data, but also of chemical structures and input formats for the calculation of molecular descriptors), the crucial points of QSAR model validation and the potential application for new chemicals (internal robustness, exclusion of chance correlation, external predictivity, applicability domain) are described, while developing MLR‐OLS models based on molecular descriptors, calculated by various QSAR software tools (commercial DRAGON, free PaDEL‐Descriptor and QSPR‐THESAURUS). Additionally, the utility of consensus models is highlighted. This work summarizes a methodology for a rigorous statistical approach to obtain reliable QSAR predictions, also for a large number of (B)TAZs in the ECHA preregistration list of REACH (even if starting from limited experimental data availability), and has evidenced some ambiguities and discrepancies related to SMILES notations from different databases; furthermore it highlighted some general problems related to QSAR model generation and was useful in the implementation of the PaDEL‐Descriptor software.
Damage accumulation in He implanted SiC at different temperatures
Authors: Barbot Jean François , Declémy Alain , Beaufort Marie‐France 
Published: November 2012

AbstractThe defect accumulation in helium‐implanted 4H–SiC was studied in a large range of temperatures through the elastic strain build‐up determined by using X‐ray diffraction measurements. The interstitial type defects formation and accumulation result in the strain build‐up that was modelled with a multi‐step damage accumulation. The gradient of strain imputed to the ion implantation processes leads to the additional step of defect accumulation where the nuclear energy loss is maximal. This phenomenon is enhanced when the formation of bubbles takes place.
Low‐temperature encapsulation of coronene in carbon nanotubes
Authors: Botka B. , Füstös M. E. , Klupp G. , Kocsis D. , Székely E. , Utczás M. , Simándi B. , Botos Á. , Hackl R. , Kamarás K. 
Published: November 2012

AbstractCoronene was encapsulated in single‐walled carbon nanotubes (SWNT) by vapor‐phase filling at high (450 °C) and low (385 °C) temperature and by nanoextraction from supercritical carbon dioxide. The presence of coronene inside the tubes was demonstrated indirectly via the formation of double‐walled nanotubes (DWNT). To this end several subsequent annealing steps were applied and monitored by Raman spectroscopy. Our results show that the encapsulation is successful with all three methods. However, high‐temperature vapor filling produces adsorbed dicoronylene, the dimerized form of coronene, as a side reaction. In order to avoid dicoronylene contamination, we suggest to use low‐temperature methods for the production of coronene‐filled carbon nanotubes. magnified image
Coronene (top) and dicoronylene (bottom) molecules.
Crystal growth and scintillation properties of Ce doped (Gd,Y)AlO3 perovskite single crystals
Authors: Kamada Kei , Endo Takanori , Tsutsumi Kousuke , Yoshikawa Akira 
Published: November 2012

AbstractCe1%:(GdxY1‐x)AlO3 (x=0, 0.2, 0.4, 0.6, 0.8 and 1) crystals were grown by the μ‐PD method with RF heating system. All of the grown crystals show single perovskite phase. Ce3+ 4f‐5d emission is observed within 360‐400nm wavelength. Emission peak shifts to shorter wavelength with increasing Y concentration. In order to determine light yield, the energy spectra were collected under 662 keV γ‐ray excitation (137Cs source) and detection by an PMT R6451(Hamamatsu). The light yield was calculated by comparing to LYSO standard. The light yield of Ce1%:(GdxY1‐x)AlO3samples were increased with increasing Y concentration and Ce1%:Gd0.6Y0.4AlO3sample shows the highest light yield of 14,000 photon/MeV. Scintillation decay time was around 14.4 ns (16%) with slower decay component of.139 ns (84%) (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Investigation of saturation and excitation behavior of 1.5 μm emission from Er3+ ions in SiO2 sensitized with Si nanocrystals
Authors: Timmerman D. , Saeed S. , Gregorkiewicz T. , Roldán Gutiérrez M. A. , Molina S. I. 
Published: November 2012

AbstractUsing time‐resolved photoluminescence spectroscopy we investigated the 1.5 μm emission from Er3+ ions embedded in SiO2 matrix sensitized with Si nanocrystals. Temporal characteristics are analyzed as the function of excitation powers and temperatures. We confirm the predominance of two excitation channels – a fast one, with nanosecond dynamics, and a slow one, taking place on the microsecond time scale. Upon increasing excitation power, the fast mechanism saturates and further increase of total photoluminescence intensity is facilitated by the slow energy transfer process. Consequences of this finding on the microscopic modeling of the excitation process are discussed (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Simulation of impedance spectra of double‐layer organic light‐emitting diodes for the determination of hole drift mobility of NPB/Alq3 diodes by means of impedance spectroscopy
Authors: Ishihara Shingo , Hase Hiroyuki , Okachi Takayuki , Naito Hiroyoshi 
Published: November 2012

AbstractDetermination of hole drift mobility of 4,4′‐bis[N‐(1‐naphthyl)‐N‐phenyl‐amino]‐biphenyl (NPB)/ tris(8‐hydroxy‐quinolinato) aluminium (Alq3) double‐layer diodes has been examined from the simulation of impedance spectra. The theoretical basis for the determination of carrier drift mobility rests on a theory for single‐injection space‐charge limited current. The simulation for NPB/Alq3 double‐layer hole‐only devices shows that the transit‐time effect seen in the impedance spectra is due to hole transit in Alq3 layer of NPB/Alq3 double‐layer hole‐only devices. The experimentally obtained hole drift mobilities of the NPB/Alq3 double‐layer hole‐only devices are in good agreement with those of Alq3 in literature, consistent with the simulation results. The results are useful for determination of charge‐carrier drift mobility in multilayer organic light‐emitting diodes. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Evaluation of residual strain in directional solidified mono‐Si ingots
Authors: Jiptner Karolin , Fukuzawa Masayuki , Miyamura Yoshiji , Harada Hirofumi , Kakimoto Koichi , Sekiguchi Takashi 
Published: November 2012

AbstractCast‐grown mono‐like Si ingots for photovoltaic application are getting increasing attention due to the possibility of obtaining highly efficient solar cells at a low‐cost production process. The reduction of crystallographic defects is essential to reach that potential. In this study, the residual strain and dislocation distribution in monolike ingots grown by directional solidification was experimentally determined. It was found that both strain and dislocations are mainly concentrated in the periphery of the ingots (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)