bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tuning Conversion Efficiency in Metallo Endohedral Fullerene‐Based Organic Photovoltaic Devices
Authors: Ross Russel B. , Cardona Claudia M. , Swain Francis B. , Guldi Dirk M. , Sankaranarayanan Shankara G. , Van Keuren Edward , Holloway Brian C. , Drees Martin 
Published: May 2009

AbstractHere the influence that 1‐(3‐hexoxycarbonyl)propyl‐1‐phenyl‐[6,6]‐Lu3N@C81, Lu3N@C80–PCBH, a novel acceptor material, has on active layer morphology and the performance of organic photovoltaic (OPV) devices using this material is reported. Polymer/fullerene blend films with poly(3‐hexylthiophene), P3HT, donor material and Lu3N@C80–PCBH acceptor material are studied using absorption spectroscopy, grazing incident X‐ray diffraction and photocurrent spectra of photovoltaic devices. Due to a smaller molecular orbital offset the OPV devices built with Lu3N@C80–PCBH display increased open circuit voltage over empty cage fullerene acceptors. The photovoltaic performance of these metallo endohedral fullerene blend films is found to be highly impacted by the fullerene loading. The results indicate that the optimized blend ratio in a P3HT matrix differs from a molecular equivalent of an optimized P3HT/[6,6]‐phenyl‐C61‐butyric methyl ester, C60–PCBM, active layer, and this is related to the physical differences of the C80 fullerene. The influence that active layer annealing has on the OPV performance is further evaluated. Through properly matching the film processing and the donor/acceptor ratio, devices with power conversion efficiency greater than 4% are demonstrated.
Iridium‐Catalysed Asymmetric Hydrogenation of Enamides in the Presence of 3,3′‐Substituted H8‐Phosphoramidites
Authors: Erre Giulia , Enthaler Stephan , Junge Kathrin , Addis Daniele , Beller Matthias 
Published: May 2009

Abstractmagnified imageIn situ generated iridium complexes containing bulky 3,3′‐substituted H8‐phosphoramidites as ligands catalyse the asymmetric hydrogenation of non‐functionalised enamides in high yield and good to excellent selectivity.
A Direct Amine‐Palladium Acetate Cocatalyzed Saegusa Oxidation Reaction of Unmodified Aldehydes to α,β‐Unsaturated Aldehydes
Authors: Zhu Jin , Liu Jie , Ma Ruoqun , Xie Hexin , Li Jian , Jiang Hualiang , Wang Wei 
Published: May 2009

Abstractmagnified imageA direct preparation of synthetically useful α,β‐unsaturated aldehydes from readily available aldehydes has been developed. The process is effectively cocatalyzed by an amine‐palladium acetate to give rise to α,β‐unsaturated aldehydes in moderate to good yields (41–62%). The reaction features the use of unmodified aldehydes rather than enol silyl ethers, which are used in a typical Saegusa oxidation reaction.
Low‐dimensional models for real time simulations of catalytic monoliths
Authors: Joshi Saurabh Y. , Harold Michael P. , Balakotaiah Vemuri 
Published: May 2009

AbstractWe present accurate low‐dimensional models for real time simulation, control, and optimization of monolithic catalytic converters used in automobile exhaust treatment. These are derived directly by averaging the governing equations and using the concepts of internal and external mass transfer coefficients. They are expressed in terms of three concentration and two temperature modes and include washcoat diffusional effects without using the concept of the effectiveness factor. The models reduce to the classical two‐phase models in the limit of vanishingly thin washcoat. The models are validated by simulating the transient behavior of a three‐way converter for various cases and comparing the predictions with detailed solutions. It is shown that these new models are robust and accurate with practically acceptable error, speed up the computations by orders of magnitude, and can be used with confidence for the real time simulation and control of monolithic and other catalytic reactors. © 2009 American Institute of Chemical Engineers AIChE J, 2009
Removal of arsenic from simulated groundwater by GAC‐Fe: A modeling approach
Authors: Mondal P. , Mohanty B. , Majumder C. B. , Bhandari N. 
Published: May 2009

AbstractA study on kinetics and equilibrium is presented on the adsorption of arsenic species from simulated groundwater containing arsenic (As(III):As(V)::1:1), Fe and Mn in concentrations of 0.188 mg/L, 2.8 mg/L and 0.6 mg/L, respectively, by iron impregnated granular activated charcoal (GAC‐Fe). Also presented is the interaction effect of As, Fe and Mn on the removal of arsenic species from water, which simulates contaminated groundwater. Among conventional models, pseudo second‐order kinetic model and Freundlich isotherm were adequate to explain the kinetics and equilibrium of adsorption process, respectively. However, in comparison to conventional isotherm empirical polynomial isotherm provided a more accurate prediction on equilibrium specific uptakes of arsenic species. Effects of initial concentrations of As, Fe and Mn on the removal of total arsenic (As(T)), As(V) & As(III) have been correlated within the error limit of −0.2 to +5.64%. © 2009 American Institute of Chemical Engineers AIChE J, 2009
Pharmacogenetics of smoking cessation therapy
Authors: Kortmann Gustavo L. , Dobler Cristina J. , Bizarro Lisiane , Bau Claiton H.D. 
Published: May 2009

AbstractNicotine dependence is a major health problem, with a large amount of smoking‐related premature deaths and disabilities. The dependence mechanism of nicotine is especially complex and is under strong genetic influence. Smoking cessation is associated with substantial health benefits. Evidence from animal and human studies suggests that genetic polymorphisms influencing pharmacokinetics and pharmacodynamics of nicotine may have great potential for aiding smoking treatment. There are more than 30 association studies and one genome‐wide association study (GWAS) between genetic polymorphisms and smoking cessation following nicotine replacement therapy (NRT) and/or bupropion therapy. However, only a few candidate genes or regions were analyzed more than twice and even these genes require additional investigations in different therapeutic schemes. There are a growing number of new pharmacologic options that have not been pharmacogenetically assessed according to published literature. In addition, molecular genetics studies are needed to assess the functional mechanisms of some putative association results. Taken together, the preliminary findings are promising but raise the need for new studies with adequate sample sizes and adjustment for several potential confounding factors frequently neglected, such as comorbidity and sociodemographic factors. The current state of the art in the field encourages an optimist view that personalized treatment approaches may become possible. However, the current scientific evidence still does not support the use of pharmacogenetic tests in routine smoking cessation therapy. © 2009 Wiley‐Liss, Inc.
Kinship and social bonds in female chimpanzees (Pan troglodytes)
Authors: Langergraber Kevin , Mitani John , Vigilant Linda 
Published: May 2009

AbstractA large body of theoretical and empirical research suggests that kinship influences the development and maintenance of social bonds among group‐living female mammals, and that human females may be unusual in the extent to which individuals form differentiated social relationships with nonrelatives. Here we combine behavioral observations of party association, spatial proximity, grooming, and space use with extensive molecular genetic analyses to determine whether female chimpanzees form strong social bonds with unrelated individuals of the same sex. We compare our results with those obtained from male chimpanzees who live in the same community and have been shown to form strong social bonds with each other. We demonstrate that party association is as good a predictor of spatial proximity and grooming in females as it is in males, that the highest party association indices are consistently found between female dyads, that the sexes do not differ in the long‐term stability of their party association patterns, and that these results cannot be explained as a by‐product of the tendency of females to selectively range in particular areas of the territory. We also show that close kin (i.e. mother–daughter and sibling dyads) are very rare, indicating that the vast majority of female dyads that form strong social bonds are not closely related. Additional analyses reveal that “subgroups” of females, consisting of individuals who frequently associate with one another in similar areas of the territory, do not consist of relatives. This suggests that a passive form of kin‐biased dispersal, involving the differential migration of females from neighboring communities into subgroups, was also unlikely to be occurring. These results show that, as in males, kinship plays a limited role in structuring the intrasexual social relationships of female chimpanzees. Am. J. Primatol. 71:840–851, 2009. © 2009 Wiley‐Liss, Inc.
Calcium/calmodulin‐dependent serine protein kinase and mental retardation
Authors: Hsueh Yi‐Ping 
Published: May 2009

AbstractCalcium/calmodulin‐dependent serine protein kinase (CASK) belongs to the membrane‐associated guanylate kinase protein family. The members of this protein family function as multiple domain adaptor proteins originally identified at cell junctions and synapses. Insertional mutations or targeted disruption of the CASK gene in mice results in neonatal lethality, indicating an important role for CASK in development. Recently, several reports have also indicated that mutations in the human CASK gene result in X‐linked malformations of the brain and mental retardation. At the molecular level, many studies indicate that CASK is critical for synapse formation at both presynaptic and postsynaptic junctions, and in the regulation of gene expression. The known molecular functions of CASK explain, at least partially, mental retardation and brain developmental defects in patients. In this review, recent findings about CASK are summarized and discussed. Ann Neurol 2009;66:438–443
Formic Acid Dehydrogenation on Au‐Based Catalysts at Near‐Ambient Temperatures
Authors: Ojeda Manuel , Iglesia Enrique 
Published: May 2009

AbstractSelektive Zersetzung von HCOOH zu H2/CO2 auf Au: Goldspezies katalysieren die HCOOH‐Dehydrierung effektiver als Platin, das bisher als aktivster Metallkatalysator galt. Die Geschwindigkeit der Formiatzersetzung ist durch die der H2‐Desorption von den Goldspezies bestimmt. Weniger als 10 ppm Kohlenmonoxid wurden während der Zersetzung gebildet, d. h., das Verfahren eignet sich für Niedertemperaturbrennstoffzellen.magnified image
Structural Link between Giant Molybdenum Oxide Based Ions and Derived Keggin Structure: Modular Assemblies Based on the [BW11O39]9− Ion and Pentagonal {M′M5} Units (M′=W; M=Mo,W)
Authors: Leclerc‐Laronze Nathalie , Marrot Jérôme , Thouvenot René , Cadot Emmanuel 
Published: May 2009

AbstractFünfecke verbinden: [HBW11O39]8−‐Ionen reagieren mit Molybdat unter Bildung gemischter fünfeckiger {W(Mo5)}‐ und {W(WMo4)}‐Einheiten, die in den entstehenden modularen Konstrukten als Brücken wirken. Somit wurde eine Verbindung zwischen den Derivaten herkömmlicher Keggin‐Ionen und den riesigen Molybdänoxid‐ und Keplerat‐Ionen geschaffen.magnified image
Functionalized Inorganic Monolithic Microreactors for High Productivity in Fine Chemicals Catalytic Synthesis
Authors: El Kadib Abdelkrim , Chimenton Ricardo , Sachse Alexander , Fajula François , Galarneau Anne , Coq Bernard 
Published: May 2009

AbstractHighly productive: Grafted monolith silica skeleton microreactors process bulky molecules more efficiently than a batch mode reactor. This efficiency is due to a higher contact area, shorter diffusion path, and lower inhibition by products in the thin monolith skeleton. These materials provide a new approach in the field of heterogeneous catalysis for the synthesis of fine chemicals.magnified image
Formic Acid Dehydrogenation on Au‐Based Catalysts at Near‐Ambient Temperatures
Authors: Ojeda Manuel , Iglesia Enrique 
Published: May 2009

AbstractSelective HCOOH decomposition to H2/CO2 on Au: Au species catalyze HCOOH dehydrogenation at higher rates than on Pt, previously considered the most active metal. Dehydrogenation occurs through formate decomposition limited by H2 desorption on Au species undetectable by TEM. CO did not form (<10 ppm), making products suitable for low‐temperature fuel cells.magnified image
Synthesis and Microcontact Printing of Dual End‐Functionalized Mucin‐like Glycopolymers for Microarray Applications
Authors: Godula Kamil , Rabuka David , Nam Ki Tae , Bertozzi Carolyn R. 
Published: May 2009

AbstractClick to view: Glycopolymers can be used to display glycans on microarrays in native‐like architectures. The structurally uniform alkyne‐terminated mucin mimetic glycopolymers (see picture; TR=fluorophore) were printed on azide‐functionalized chips by microcontact printing in the presence of a copper catalyst. The surface‐bound glycopolymers bind lectins in a ligand‐specific manner.magnified image
Titanium Binolate Catalyzed Aminolysis of meso Aziridines: A Highly Enantioselective and Direct Access to 1,2‐Diamines
Authors: Peruncheralathan Saravanan , Teller Henrik , Schneider Christoph 
Published: May 2009

AbstractIt's as simple as that: An in situ prepared chiral catalyst from the commercially available compounds Ti(OiPr)4 and (R)‐binol catalyzes the highly enantioselective ring‐opening of meso‐aziridines 1 with anilines 2 and furnishes valuable chiral 1,2‐diamines 3 in high yields and up to 99 % ee.(R)‐binol=(R)‐2,2′‐dihydroxy‐1,1′‐binaphthyl.magnified image
A Graphene Platform for Sensing Biomolecules
Authors: Lu Chun‐Hua , Yang Huang‐Hao , Zhu Chun‐Ling , Chen Xi , Chen Guo‐Nan 
Published: May 2009

AbstractSensitive platform: The use of graphene oxide (GO) as a platform for the sensitive and selective detection of DNA and proteins is presented. The interaction of GO and dye‐labeled single‐stranded DNA leads to quenching of the dye fluorescence. Conversely, the presence of a target DNA or protein leads to the binding of the dye‐labeled DNA and target, releasing the DNA from GO, thereby restoring the dye fluorescence (see picture).magnified image
Room‐Temperature CH Bond Activation of Methane by Bare [P4O10].+
Authors: Dietl Nicolas , Engeser Marianne , Schwarz Helmut 
Published: May 2009

AbstractNo need for a metal: A combination of mass spectrometry and computational studies (density functional theory and coupled‐cluster methods) shows that [P4O10].+ is the first polynuclear nonmetal oxide cation that is capable of activating the CH bond of methane at room temperature (see picture). This process represents a further example in the reactivity of oxygen‐centered radicals.magnified image
Controlled Iterative Cross‐Coupling: On the Way to the Automation of Organic Synthesis
Authors: Wang Congyang , Glorius Frank 
Published: May 2009

AbstractRepetition does not hurt! New strategies for the modulation of the reactivity of difunctional building blocks are discussed, allowing the palladium‐catalyzed controlled iterative cross‐coupling and, thus, the efficient formation of complex molecules of defined size and structure (see scheme). As in peptide synthesis, this development will enable the automation of these reactions. MPG=protected metal, Mact=metal.magnified image
Metal‐based antitumor, cytotoxic and antimicrobial activity: pharmacological evaluation of Knoevenagel condensate β‐diketone Schiff base thiosemicarbazone Cu(II) and Zn(II) complexes
Authors: Raman N. , Jeyamurugan R. , Rajkapoor B. , Magesh V. 
Published: May 2009

AbstractKnoevenagel condensate Schiff base ligands [L = 3‐cinnamalideneacetylacetone‐thiosemicarbazone (CAT)/3‐cinnama‐ lideneacetylacetoneethylthiosemicarbazone (CAET)/3‐cinnamalideneacetylacetonephenylthiosemicarbazone (CAPT)] and their copper/zinc complexes were synthesized. They were characterized by analytical and spectral techniques. From these data it was found that the ligands adopt square‐planar geometry on metalation with Cu2+ and Zn2+. To evaluate the antitumor and cytotoxic activity of the synthesized complexes in mice and human cancer cell lines, the antitumor activity of the complexes was evaluated against an Ehrlich ascites carcinoma (EAC) tumor model. The activity was assessed using survival time and short‐term in vitro cytotoxic activity. Oral administration of complexes (100 mg/kg) increased the survival time. The cytotoxic activity of complexes was evaluated using human breast cancer (MDA‐MB‐231), colon cancer (HCT‐116) and nonsmall lung cancer (NCI‐H‐23) cell lines. Both the complexes possessed significant antitumor and cytotoxic activity on EAC and human cancer cell lines. The in vitro antimicrobial screening effect of the investigated compounds was also tested against the various organisms by well diffusion method. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis, characterization and biological properties of sulfonamide‐derived compounds and their transition metal complexes
Authors: Chohan Zahid H. , Shad Hazoor A. , Nasim Faiz‐ul‐Hassan 
Published: May 2009

AbstractSulfonamide‐derived compounds and their first row d‐transition metal chelates [cobalt(II), copper(II), nickel(II) and zinc(II)] have been synthesized and characterized. The nature of bonding and structure of all the synthesized compounds have been proposed from magnetic susceptibility and conductivity measurements, IR, 1H and 13C NMR, electron spectra, mass spectrometry and CHN analysis data. The structure of ligand, 4‐{[(E)‐(5‐chloro‐2‐hydroxyphenyl) methylidene] amino}‐N‐(4,6‐dimethyl pyrimidin‐2‐yl) benzene sulfonamide has also been determined by X‐ray diffraction method. An octahedral geometry has been suggested for all the complexes. The ligands and metal complexes have been screened for their in vitro antibacterial, antifungal and cytotoxic activity. The results of these studies revealed that all compounds showed moderate to significant antibacterial activity against one or more bacterial strains and good antifungal activity against various fungal strains. Copyright © 2009 John Wiley & Sons, Ltd.
Preparation and characterization of polymer/organosilicate nanocomposites based on unmodified LDPE
Authors: Giannakas A. , Xidas P. , Triantafyllidis K. S. , Katsoulidis A. , Ladavos A. 
Published: May 2009

AbstractLow‐density polyethylene (LDPE)/silicate nanocomposites were prepared by the melt compounding and solution blend methods using unmodified LDPE polymer and layered silicates with different aspect ratio. X‐ray diffraction (XRD) analysis performed on composites obtained by dispersing the organosilicates in molten LDPE evidenced an exfoliated or partially exfoliated structure for the low aspect ratio silicate (laponite) in contrast to the high aspect ratio silicate (montmorillonite), which led to the formation of intercalated nanocomposites. With regard to the preparation method, the melt compounding method was more effective in forming exfoliated/highly intercalated LDPE nanocomposites compared with the solution blend method (using CCl4 as a solvent). A gradual increase in crystallization temperatures (Tc) with increasing laponite content for LDPE‐organolaponite nanocomposites was revealed by differential scanning calorimetry (DSC) measurements. Thermogravimetric analysis and tensile measurements results indicated that thermal stability and elastic modulus increment were more prevalent for nanocomposites prepared using organomontmorillonite as filler. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009
Synthesis and photopolymerizations of new phosphonated methacrylates from alkyl α‐hydroxymethacrylates and glycidyl methacrylate
Authors: Sahin Gorkem , Avci Duygu , Karahan Ozlem , Moszner Norbert 
Published: May 2009

AbstractNovel aromatic mono‐ and di(phosphonate) or phosphonic acid monomers for use in dental composites were synthesized. Synthesis of monomer 1a involved three steps: (i) reaction of t‐butyl α‐bromomethacrylate (t‐BuBMA) and Bisphenol A, (ii) conversion to diacid chloride derivative using thionyl chloride, (iii) reaction of diacid chloride with diethyl (2‐hydroxyphenyl) phosphonate. Monomer 2a was synthesized from the reaction of 2‐chloromethacryloyl chloride and diethyl (2‐hydroxyphenyl) phosphonate. Synthesis of monomer 3a involved reaction of glycidyl methacrylate (GMA) with diethyl (2‐hydroxyphenyl) phosphonate. Hydrolysis of the phosphonate groups of monomers 1a and 2a with trimethylsilyl bromide (TMSBr) gave monomers 1b and 2b with phosphonic acid functionality, which is intended to improve binding ability of dental composites. The homopolymerization and copolymerization behaviors of the synthesized monomers with (Bis‐GMA) were investigated using photodifferential scanning calorimetry at 40°C with 2,2′‐dimethoxy‐2‐phenyl acetophenone as photoinitiator. The interaction of the monomer 1b with hydroxyapatite (HAP) was investigated using Fourier transform infrared technique. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009
Mechanical properties, thermal stability, gas permeability, and phase morphology in natural rubber/bromobutyl rubber blends
Authors: Rattanasom N. , Prasertsri S. , Suchiva K. 
Published: May 2009

AbstractThis work was performed to relate the morphological features and all important properties of the natural rubber (NR) and bromobutyl rubber (BIIR) blends containing hybrid fillers. The BIIR content was varied from 0 to 100 wt%. It is found that tensile and tear strength, hardness as well as resilience of blends tend to decrease with increasing BIIR loading. Regarding the blend morphology, phase inversion is observed when BIIR loading is >50 wt % where BIIR becomes a continuous phase. This result coincides with the marked improvement of thermal stability of the blends determined using thermogravimetric analysis and heat ageing method. Interestingly, that, the gas permeability of blends markedly reduces with an increase in BIIR loading up to 40 wt % when the relatively large elongated particles of BIIR dispersed phase is formed. The results indicate that the relatively large connected structure of the dispersed BIIR can act effectively as a gas barrier. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009
Differential gene expression profiles in the venom gland/sac ofOrancistrocerus drewseni(Hymenoptera: Eumenidae)
Authors: Baek Ji Hyeong , Woo Tae Ha , Kim Chang Bae , Park Jong Hwa , Kim Hyojoong , Lee Seunghwan , Lee Si Hyeock 
Published: May 2009

AbstractTo determine differential gene expression profiles in the venom gland and sac (gland/sac) of a solitary hunting wasp species,Orancistrocerus drewseniSaussure (1857), a subtractive cDNA library was constructed by suppression subtractive hybridization. A total of 498 expressed sequence tags (EST) were clustered and assembled into 205 contigs (94 multiple sequences and 111 singletons). About 65% (134) of the contigs had matched BLASTx hits (E≤10−4). Among these, 115 contigs had similarity to proteins with assigned molecular function in the Gene Ontology database, and most of them (112 contigs, 83%) were homologous to genes from Hymenoptera, particularly toApis mellifera(98 contigs). The contigs encoding hyaluronidase and phospholipase A2, known to be main components of wasp venoms, were found in high frequencies (27 and 4%, respectively, as judged by the number of ESTs) in the gene ontology category of catalytic activity. Full‐length open reading frames of hyaluronidase and phospholipase A2 were characterized and their abundance in the venom gland/sac was confirmed by quantitative real‐time PCR. Several contigs encoding enzymes, including zinc‐metallopeptidases that are likely involved in the processing and activation of venomous proteins or peptides, were also identified from the library. Discovery of venom gland/sac‐specific genes should promote further studies on biologically active components in the venom ofO. drewseni. © 2009 Wiley Periodicals, Inc.