bluuebunny/crossref_metadata_2025_split huggingface dataset:
Importance of Structural Motifs in Liquid Hydrogen Fluoride
Authors: Perlt Eva , Friedrich Joachim , von Domaros Michael , Kirchner Barbara 
Published: October 2011

AbstractThe investigation of liquid phases by means of accurate electronic structure methods is a demanding task due to the high computational effort. We applied second‐order Møller–Plesset perturbation theory and high‐level quantum chemical calculations using the coupled‐cluster method with single, double and perturbative triple excitations in combination with Dunnings correlation‐consistent basis sets up to quintuple ζ quality. Based on these calculations, we extrapolated the correlation energy to the basis set limit in order to improve the results even further. For comparison to the correlated electronic structure methods, density functional calculations employing different functionals are presented as well. The investigated species are a cyclic pentamer as well as a set of branched structures. The quantum cluster equilibrium method is employed for the investigation of the liquid‐phase structure of hydrogen fluoride. The pentamer is found to be present to a high extent and in the case of the MP2/QZVP data, its presence improves the results significantly. Accounting for branched structures slightly improves results, so that they are found to be present but not to dominate in liquid hydrogen fluoride. Concerning both the interaction energy and the result of the quantum cluster equilibrium calculation the basis set has a major influence, whereas the difference between Møller–Plesset perturbation theory and coupled‐cluster calculations is less pronounced.
Synthesis of mercuric iodide and bismuth tri‐iodide nanoparticles for heavy metal iodide films nucleation
Authors: Fornaro L. , Aguiar I. , Pérez Barthaburu M. , Pereira H. Bentos 
Published: October 2011

AbstractWe synthesized mercuric iodide and bismuth tri‐iodide nanoparticles by suspension in octadecene, from Hg(NO3)2.H2O and I2, and from Bi(NO3)3.5H2O and I2, respectively. The best synthesis conditions were 2 h at 70‐80 °C, followed by 10 min at 110 °C for mercuric iodide nanoparticles, and 4 h at 80‐110 °C, followed by 10 min at 180‐210 °C for bismuth tri‐iodide ones. Nanoparticles were then washed and centrifuged with ether repeatedly. Compounds identity was confirmed by X‐ray diffraction (XRD) and energy dispersive spectrometry (EDS). We found shifts of the X‐ray diffraction maxima for nanoparticles of both compounds. We characterized the nanoparticles by transmission (TEM) and scanning (SEM) electron microscopy. We obtained disk‐like and squared mercuric iodide nanostructures, 80‐140 nm and 100‐125 nm in size respectively. We also obtained rounded and rod‐like bismuth tri‐iodide nanoparticles, 30‐500 nm in size. Acetonitrile and isopropanol suspensions of mercuric iodide nanoparticles, and acetonitrile suspension of bismuth tri‐iodide nanoparticles exhibited peak maxima shifts in their UV‐Vis spectra. We synthesized for the first time mercuric iodide and bismuth tri‐iodide nanoparticles by the suspension method, although we have not yet obtained uniform shape and size distributions. They offer interesting perspectives for crystalline film nucleation and for improving current applications of these materials, as well as for opening new ones. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Dependence of photoluminescence properties on excitation power in ZnO and ZnCdO microrods
Authors: Ye Xiaoliang , Mao Huibing , Wang Jiqing 
Published: October 2011

AbstractZnO and ZnCdO microrods have been prepared through a chemical bath deposition method. The structure of microrods has been characterized using X‐ray diffraction (XRD) and transmission electron microscopy (TEM). Photoluminescence spectra were recorded for ZnO and ZnCdO microrods at different excitation powers. The intensity of UV emission is enhanced with increasing excitation power. The width of UV emission increases for spectra at higher excitation powers. In particular, the paper shows that the influence of excitation power on the shift of emission band for ZnCdO microrods is more remarkable than that of ZnO microrods with the increase of excitation power. The definite experimental evidence demonstrated that the temperature coefficient β of ZnCdO microrods is much larger than the temperature coefficient of ZnO microrods. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
“An ape's view of the Oldowan” revisited
Authors: Wynn Thomas , Hernandez‐Aguilar R. Adriana , Marchant Linda F. , Mcgrew William C. 
Published: October 2011

AbstractIn 1989, Wynn and McGrew published an explicit comparison between Oldowan technology and what was then known of chimpanzee technology.1They compared the range and variety of tools, adaptive role of tools, carrying distances, spatial cognition, manufacturing procedures, and modes of learning. They concluded that everything archeologists had reconstructed about the behavior of Oldowan hominins could be accommodated within the ape adaptive grade; that is, a paraphyletic group united by overall similarities in anatomy and, in this case, behavior. The only Oldowan activities that were almost unknown for modern apes were the long‐distance transport of objects and direct competition with carnivores, which was implied by meat acquisition activities. “In its general features Oldowan culture was ape, not human. Nowhere in this picture need we posit elements such as language, extensive sharing, division of labor, or pair‐bonded families, all of which are part of the baggage carried by the termhuman.”1:394© 2011 Wiley‐Liss, Inc.
Fibroblast growth factor receptor 4 gene (FGFR4) 388Arg allele predicts prolonged survival and platinum sensitivity in advanced ovarian cancer
Authors: Marmé Frederik , Hielscher Thomas , Hug Sarah , Bondong Sandra , Zeillinger Robert , Castillo‐Tong Dan Cacsire , Sehouli Jalid , Braicu Ioana , Vergote Ignace , Isabella Cadron , Mahner Sven , Ferschke Irmgard , Rom Joachim , Sohn Christof , Schneeweiss Andreas , Altevogt Peter 
Published: October 2011

AbstractFGFR4 has been shown to play an important role in the etiology and progression of solid tumors. A single nucleotide polymorphism (SNP) within the FGFR4 gene has previously been linked to prognosis and response to chemotherapy in breast cancer and other malignancies. This study evaluates the relevance of this SNP in advanced ovarian cancer. FGFR4‐genotype was analyzed in 236 patients recruited as part of the OVCAD project. Genotyping was performed on germ‐line DNA using a TaqMan based genotyping assay. Results were correlated with clinicopathological variables and survival. The FGFR4 388Arg genotype was significantly associated with prolonged progression‐free and overall survival (univariate: HR 0.68, p = 0.017; HR 0.49, p = 0.005; multivariate: HR 0.69, p = 0.025; HR 0.49, p = 0.006) though the positive prognostic value was restricted to patients without postoperative residual tumor. Indeed, there was a significant interaction between FGFR4 genotype and residual tumor for overall survival. Furthermore, the FGFR4 388Arg genotype significantly correlated with platinum sensitivity in the same subgroup (multivariate OR 3.81 p = 0.004). FGFR4 Arg388Gly genotype is an independent and strong context specific prognostic factor in patients with advanced ovarian cancer and could be used to predict platinum‐sensitivity.
Single‐Molecule Studies of HIV‐1 Protease Catalysis Enabled by Chemical Protein Synthesis
Authors: Torbeev Vladimir Yu. , Myong Su‐A , Ha Taekjip , Kent Stephen B. H. 
Published: October 2011

AbstractSingle‐molecule fluorescence studies of the proteolytic activity of the enzyme HIV‐1 protease were performed using FRET‐pair dye labeled peptide substrates and substrate‐derived inhibitors prepared by solid phase peptide synthesis. Chemical protein synthesis was used to prepare homodimeric HIV‐1 protease in soluble form and to prepare a covalent dimer 203 amino acid residue HIV‐1 protease containing a biotin tether at the mid‐point of the synthetic protein molecule. The biotin‐tagged HIV‐1 protease was immobilized on a neutravidin‐coated glass slide. Total internal reflection excitation multiwavelength fluorescence spectroscopy was used to monitor substrate binding and cleavage by the synthetic enzyme molecules. Single‐molecule traces for the dye‐labeled peptide substrate showed distinct binding and cleavage events; the corresponding dye‐labeled peptide inhibitor showed only the binding event. These results constitute strong proof‐of‐principle for the utility of chemical peptide and protein synthesis for single‐molecule studies of enzyme catalysis.
Determinants of the specificity of protease‐activated receptors 1 and 2 signaling by factor Xa and thrombin
Authors: Rana Soumendra , Yang Likui , Hassanian Seyed Mahdi , Rezaie Alireza R. 
Published: October 2011

AbstractFactor Xa (FXa) elicits intracellular signaling responses through the activation of protease‐activated receptor 2 (PAR2) and possibly also through PAR1 in endothelial cells. In this study, we investigated FXa signaling in endothelial cells when the protease was either in free form or assembled into the prothrombinase complex. Furthermore, we prepared several wild‐type and mutant PAR1 and PAR2 cleavage‐reporter constructs in which their exodomains were fused to cDNA encoding for a soluble alkaline phosphatase (ALP). In the mutants, P2 residues were exchanged between PAR1 and PAR2 cleavage‐reporter constructs and the hirudin‐like binding site (HLBS) of PAR1 was inserted into the homologous site of PAR2. In non‐transfected cells, FXa elicited a protective response which could be blocked by a specific anti‐PAR2 but not by an anti‐PAR1 antibody. A similar protective activity was observed for FXa in the prothrombinase complex. Further studies revealed that neither the Gla‐ nor EGF1‐domain of FXa is required for its signaling activity, however, the N‐terminus Arg‐86 and Lys‐87 of the EGF2‐domain were essential. In the cleavage‐reporter transfected cells, FXa cleaved the PAR2 construct effectively, however, replacing its P2‐Gly with P2‐Pro of PAR1 impaired its cleavage by FXa but improved it by thrombin. A PAR2 construct containing both P2‐Pro and HLBS of PAR1 was poorly cleaved by FXa, but effectively by thrombin. A PAR1 construct containing P2 and P3 residues of PAR2 was poorly cleaved by thrombin but effectively by FXa. These results provide new insight into mechanisms through which coagulation proteases specifically interact with their target PAR receptors. J. Cell. Biochem. 113: 977–984, 2012. © 2011 Wiley Periodicals, Inc.
Ox‐LDL‐induced TGF‐β1 production in human alveolar epithelial cells: Involvement of the Ras/ERK/PLTP pathway
Authors: Guo Ling‐Li , Chen Ya‐Juan , Wang Tao , An Jing , Wang Cheng‐Na , Shen Yong‐Chun , Yang Ting , Zhao Li , Zuo Qiu‐Nan , Zhang Xiao‐Hong , Xu Dan , Wen Fu‐Qiang 
Published: October 2011

AbstractOxidized‐low density lipoprotein (Ox‐LDL) has been shown to play an important role in impaired surfactant metabolism and transforming growth factor‐β1 (TGF‐β1) is a critical mediator in the pathogenesis of acute lung injury (ALI)/acute respiratory distress syndrome (ARDS). In this study, we investigated whether Ox‐LDL can induce TGF‐β1 protein production, and if so, how it achieves this induction in human alveolar epithelial cells (A549). We show here that Ox‐LDL not only caused a dose‐ and time‐dependent up‐regulation of TGF‐β1 production, but also increased Smad3 phosphorylation, Ras/extracellular signal‐regulated kinase (ERK) activity and phospholipid transfer protein (PLTP) expression in A549 cells. The inhibition of Ras/ERK activity with specific inhibitors significantly suppressed Ox‐LDL‐induced TGF‐β1 production, Smad3 phosphorylation and PLTP expression. Furthermore, treatment of cells with PLTP siRNA suppressed both TGF‐β1 release and Smad3 activation induced by Ox‐LDL, but not the activation of Ras/ERK cascade. Taken together, we provide evidences that induction of TGF‐β1 production and Smad3 phosphorylation by Ox‐LDL is mediated by Ras/ERK/PLTP pathway in human alveolar epithelial cells. J. Cell. Physiol. 227: 3185–3191, 2012. © 2011 Wiley Periodicals, Inc.
Palladium‐catalyzed dehalogenation of 5‐halopyrazoles
Authors: Chen Chun‐Yen , Huang Yu‐Ying , Su Wei‐Nien , Kaneko Kimiyoshi , Kimura Masayuki , Takayama Hiroyuki , Wong Fung Fuh 
Published: October 2011

AbstractA new and efficient method for the dehalogenation of 5‐halopyrazoles was developed by using the catalytic amount of palladium (II) chloride and triphenylphosphine as a ligand at reflux under constant flow of hydrogen gas. The reaction gave the corresponding pyrazole products in good to excellent yields (≥83%). J. Heterocyclic Chem., (2012).
Codigested dairy slurry as a phosphorus and nitrogen source for Zea mays L. and Amaranthus cruentus L.
Authors: Bachmann Silvia , Wentzel Stefanie , Eichler‐Löbermann Bettina 
Published: October 2011

AbstractResidues from biogas production contain essential plant nutrients such as nitrogen (N), phosphorus (P), and potassium (K) but also organic matter, and should be recycled in crop production. For efficient re‐use as fertilizers, the availability of nutrients for crops and the effect of the residues on soil fertility need to be evaluated. Focusing on the element P, we compared effects of codigested slurry with dairy slurry, highly soluble mineral NPK fertilizer, and a control without any P supply (NK). Codigested slurry used in this experiment was based on anaerobic digestion of dairy slurry, maize silage, and wheat grain. The fertilizing effects were tested in an 8‐week pot experiment on a sandy and a loamy soil using two crop species (Zea mays L., Amaranthus cruentus L.). The plant P uptake was up to 64% greater in the slurry treatments than in the treatment without P. The effect of codigested slurry on P uptake was comparable to that of dairy slurry and mineral P. Plant N uptake from codigested slurry was lower than that from mineral N (NK, NPK), but tended to be higher than from dairy slurry. The water‐soluble and double lactate–soluble P content of the soil was lower in the slurry treatments than in the mineral‐P treatments and accompanied by higher contents of microbial‐bound P. Differences between both organic fertilizers were detected for dehydrogenase activity which was up to 32% lower in soils fertilized with codigested slurry than it was in soils fertilized with dairy slurry. Our results indicate that codigestion of slurries in biogas plants does not substantially alter their fertilizer value as P and N sources for crops.
Recommendations for using computer‐assisted career guidance systems (CACGS) in career counseling practice
Authors: Copeland Lindsey Y. , Dik Bryan J. , McLaren Molly R. , Onder Casey , Wolfson Natalie E. , Kraiger Kurt 
Published: October 2011

AbstractElectronically mediated vocational assessment and guidance tools have become prominent in modern career counseling, leaving many career development professionals with questions about the nature of the computerized tools available and how to effectively apply these technologies in practice. In this article, the authors describe the general characteristics of computer‐assisted career guidance systems (CACGS), review evidence of their effectiveness as compared to other career intervention modalities, briefly introduce a number of empirically supported systems, and provide practitioners with guidelines for appraising CACGS and using them successfully with clients. Recommendations address evaluation and selection of CACGS, development of appropriate strategies for incorporation of CACGS into counseling services, and matters of client education and ethical practice.
Laserschweißen mit höchster Qualität bei reduzierter Leistung
Authors: Bautze Thibault , Zösch Antje 
Published: October 2011

AbstractDer Wandel von energiehungrigen Arbeitsmaschinen hin zu leistungsoptimierten Fertigungsverfahren kann in allen industriellen Produktionsprozessen beobachtet werden.Die Innovationsallianz „Green Carbody Technologies”︁ untersucht Möglichkeiten zur Energieeinsparung im Karosseriebau. Im Rahmen des Teilprojektes 4.3.3 werden die Potentiale zur Leistungseinsparung beim Laserschweißen untersucht.
The moderating effect of sexual pressure on young Urban women's condom use
Authors: Gakumo C. Ann , Moneyham Linda D. , Enah Comfort C. , Childs Gwendolyn D. 
Published: October 2011

AbstractThe purpose of this study was to examine whether women's experiences of sexual pressure moderated the relationship between sexual empowerment determinants and condom use in a sample of 100 high‐risk women, ages 19–25. Five sexual empowerment determinants of condom use were identified from the literature: HIV knowledge, self‐esteem, condom self‐efficacy, positive attitudes toward condom use, and condom negotiation skills. Linear and logistic regression analyses revealed that positive attitudes toward condom use and condom negotiation skills were significant predictors of condom use. These relationships, however, were moderated by sexual pressure. Findings indicate that women's experiences with sexual pressure have the potential to decrease the likelihood of condom use, even though other sexually protective behaviors may be exhibited. © 2011 Wiley Periodicals, Inc. Res Nurs Health 35:4–14, 2012
Improvement in carrier mobility of poly(3,4‐ethylenedioxythiophene) nanowires synthesized in porous alumina templates
Authors: Shirai Yasuhiro , Takami Seiichi , Lasmono Soesan , Iwai Hideo , Chikyow Toyohiro , Wakayama Yutaka 
Published: October 2011

AbstractPolymeric nanowires of poly(3,4‐ethylenedioxythiophene) (PEDOT) are electrochemically synthesized using porous anodic alumina oxide (AAO) membranes as templates. Four‐point resistivity measurements on more than 100 PEDOT nanowires with different diameters (50–250 nm) reveal a statistically significant size‐dependent phenomenon in which the nanowires with a smaller diameter exhibit higher conductivity. Structural characterization with Raman spectroscopy and doping level estimation with energy‐dispersive X‐ray spectrometry and X‐ray photoelectron spectroscopy indicate that the observed conductivity enhancement can be attributed to improved carrier mobility in PEDOT nanowires having an elongated conjugation structure because of the effect of the AAO template. From the estimated doping levels (∼5%) and conductivity data (∼100 S/cm), it is found that the carrier mobility reach 2.0 cm2/V s for the nanowire with the smallest diameter, as compared with 4.0 × 10−4 cm2/V s for a bulk PEDOT film. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011
Population density and feeding duration of cabbage looper larvae on tomato plants alter the levels of plant volatile emissions
Authors: Miresmailli Saber , Gries Regine , Gries Gerhard , Zamar Ruben H , Isman Murray B 
Published: October 2011

AbstractBACKGROUND: As part of their indirect defense, plants under herbivore attack release volatile chemicals that attract natural enemies of the herbivore. This is a very well‐documented phenomenon. However, relatively few studies have investigated the response of plants to different population levels of herbivores and their feeding duration.RESULTS: Working with larvae of the cabbage looper, Trichoplusia ni (Hübner), and tomato plants, Lycopersicon esculentum Mill cv. clarence, and using an ultrafast gas chromatograph (the zNose™) for volatile analyses, the authors studied the effect of larval density and feeding duration on levels of plant volatile emissions. Intense herbivory caused higher emission levels of the herbivore‐induced plant volatiles (HIPVs) (Z)‐3‐hexenyl acetate, (E)‐β‐ocimene and β‐caryophyllene than those caused by moderate herbivory. When herbivory had ceased following 12–24 h of larval feeding, plants kept releasing HIPVs at a high level for a longer period of time than they did following only 6 h of larval feeding. The plants' slow adjustment in their volatile emissions following prolonged larval feeding might be strategic, as such feeding is more likely to have ceased just temporarily.CONCLUSION: This information may help in the development of a pest monitoring system that is based on herbivore‐induced plant volatiles. Copyright © 2011 Society of Chemical Industry
Substituent effect on the reaction mechanism of proton transfer in formamide
Authors: Raissi Heidar , Yoosefian Mehdi 
Published: October 2011

AbstractMP2 and B3LYP methods at 6‐311++G** basis set have been used to explore proton transfer in keto‐enol forms of formamide and to investigate the effect of substituent, i.e., H, F, Cl, OH, SH, and NH2 on their transition states. Additionally, the vibrational frequencies of aforementioned compounds are calculated at the same levels of theory. It is proposed that the barrier heights values in kJ/mol for F, Cl, OH, and SH substituents are significantly greater than that of the bare tautomerization reaction, implying the importance of the substituents effect on the intramolecular proton transfer. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Regulation of type 1 inositol 1,4,5‐triphosphate receptor by dopamine receptors in cocaine‐induced place conditioning
Authors: Kurokawa Kazuhiro , Mizuno Koji , Shibasaki Masahiro , Ohkuma Seitaro 
Published: October 2011

AbstractRecent study shows that type 1 inositol‐1,4,5‐triphosohate receptors (IP3Rs) may be involved in amphetamine‐induced conditioned preference, but little is known about its role in psychological dependence on cocaine. This study investigated the role and regulation of IP3R‐1 in mice with cocaine‐induced place preference. The cocaine‐induced place preference was dose‐dependently inhibited by intracerebroventricular pretreatment with IP3R antagonists, 2‐aminophenoxyethane‐borate (2‐APB), and xestospongin C. The levels of IP3R‐1 in the frontal cortex and nucleus accumbens of cocaine‐conditioned mice significantly increased, which was completely abolished by SCH23390 and sulpiride, selective dopamine D1 and D2 receptor antagonists, respectively. These findings suggest that IP3R‐1‐mediated intracellular signaling pathway may play an important role in the development of cocaine‐induced place preference and that the expression of IP3R‐1 is controlled by both dopamine D1 and D2 receptors in the frontal cortex and nucleus accumbens of mice with cocaine‐induced place preference. Synapse, 2012. © 2011 Wiley Periodicals, Inc.