bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of the reaction temperature on polyaniline morphology and evaluation of their performance as supercapacitor electrode
Authors: Kuang Hao , Cao Qi , Wang Xianyou , Jing Bo , Wang Qiang , Zhou Ling 
Published: June 2013

ABSTRACTThe polyaniline (PANI) nanostructures of tubular, spherical, and granules morphologies were synthesized by chemical oxidation approach in different reaction temperatures and used as the active electrode materials of symmetric redox supercapacitors. X‐ray diffraction and scanning electron microscopy techniques are employed for characterization of these PANIs. With the initial and reaction temperature increase, the morphology of PANI turned from block to spherical and tubular. Electrochemical properties of these PANI electrodes are studied by cyclic voltammetry (CV), agalvanostatic charge–discharge test, and electrochemical impedance spectroscopy (EIS) in 1M H2SO4 aqueous solution. The highest electrochemical properties are obtained on the PANI with tubular morphology. The initial specific capacitance of tubular, spherical, and granules PANI are about 300, 300, and 290 F g−1 at a constant current of 5 mA. Meanwhile, the retention of the tubular PANI capacitance after 500 charge–discharge cycles was 75%, whereas the spherical and granules PANI was only 35% and 57%. The results indicate that tubular PANI electrodes have potential applications as high‐performance supercapacitors electrode materials. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 3753–3758, 2013
Poly(l‐lactide)/poly(d‐lactide)/multiwalled carbon nanotubes nanocomposites: Enhanced dispersion, crystallization, mechanical properties, and hydrolytic degradation
Authors: Dong Qinglin , Li Yi , Han Changyu , Zhang Xin , Xu Kun , Zhang Huiliang , Dong Lisong 
Published: July 2013

ABSTRACTBiodegradable stereocomplex‐type poly(l‐lactide) (PLLA)/poly(d‐lactide) (PDLA)/multiwalled carbon nanotubes (MWCNTs) nanocomposites are prepared via simple melt blending method at PDLA loadings from 5 to 20 wt %. Formation of the stereocomplex crystals in the nanocomposites is confirmed by the phase transition in the differential scanning calorimetric profiles. Field emission scanning electron microscopy observation indicates that MWCNTs are nicely dispersed in the PLLA/PDLA/MWCNTs ternary blends with 20 wt % PDLA loading due to the increased shear stress in the melt‐compounding with presence of PDLA. The overall crystallization rates are faster in the PLLA/PDLA/MWCNTs nanocomposites than in PLLA/MWCNTs nanocomposite; however, the crystallization mechanism and crystal structure of these nanocomposites remain unchanged despite the presence of PDLA. The storage modulus above glass transition temperature has been apparently improved in the PLLA/PDLA/MWCNTs nanocomposites with respect to PLLA/MWCNTs nanocomposite. It is interesting to find that the hydrolytic degradation rates have been enhanced obviously in the PLLA/PDLA/MWCNTs nanocomposites than in PLLA/MWCNTs nanocomposite, which may be of great use and importance for the wider practical application of PLLA/MWCNTs nanocomposites. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 3919–3929, 2013
The extreme forecast index at the seasonal scale
Authors: Dutra E. , Diamantakis M. , Tsonevsky I. , Zsoter E. , Wetterhall F. , Stockdale T. , Richardson D. , Pappenberger F. 
Published: June 2013

AbstractThe extreme forecast index (EFI) concept has been applied to the European Centre for Medium-Range Weather Forecasts (ECMWF) seasonal forecasts (S4) of 2‐m temperature (T2M) and total precipitation (TP) using a novel semi‐analytical technique. Results derived from synthetic data highlight the importance of large ensemble sizes to reduce the EFI calculation uncertainty due to sampling. This new diagnostic complements current diagnostics as exemplified for the 2012 warm summer in south central and eastern Europe. The EFI provides an integrated measure of the difference between a particular seasonal forecast ensemble and the underlying model climate which can be used as an early warning indicator.
Association of baseline C‐reactive protein levels with periprocedural myocardial injury in patients undergoing percutaneous bifurcation intervention: A CACTUS study subanalysis
Authors: Niccoli Giampaolo , Sgueglia Gregory A. , Latib Azeem , Crea Filippo , Colombo Antonio ,   on behalf of the CACTUS Study Group
Published: June 2013

ObjectivesTo assess the predictive value of C‐reactive protein (CRP) on periprocedural myocardial injury (PMI), evaluated by creatine kinase‐myocardial band isoform (CK‐MB) elevation in patients undergoing percutaneous coronary intervention (PCI) with drug‐eluting stent (DES) implantation for the treatment of coronary bifurcation lesions is actually unknown.BackgroundSystemic inflammation as assessed by CRP has been associated with averse events after DES implantation. After PCI, the occurrence of PMI is common and has also been associated with worse outcomes. Finally, bifurcations are frequently encountered anatomically complex lesions which the treatment is associated with higher complication rate compared with simple lesions.MethodsA total of 96 patients (66 ± 10 years, 70 men) from the Coronary bifurcations: Application of the Crushing Technique Using Sirolimus‐eluting stents (CACTUS) trial who had baseline CRP dosage and both baseline and postprocedural CK‐MB measurement were included.ResultsA complex bifurcation strategy was implemented in 53 (55%) patients, and angiographic success was achieved in all but two (2%) patients. Periprocedural myocardial necrosis (increase of CK‐MB between one and three times the upper limit of normal [ULN]) was observed in 12 (13%) patients, and four (4%) patients had PCI‐related myocardial infarction (increase of CK‐MB more than three times ULN). Notably, progressively higher CRP levels were observed in patients with different increase in CK‐MB (P = 0.041). Moreover, CRP >1 mg/L significantly predicted CK‐MB rise (odds ratio 5.6, 95% confidence interval 1.5–4.3, P = 0.011).ConclusionIn the setting of true coronary bifurcations treated by DES, baseline CRP levels were significantly associated with both the incidence and the extent of PMI. © 2013 Wiley Periodicals, Inc.
Synthesis and Optical Properties of Water‐Soluble Polyglycerol‐Dendronized Rylene Bisimide Dyes
Authors: Heek Timm , Würthner Frank , Haag Rainer 
Published: July 2013

AbstractFour new water‐soluble polyglycerol‐dendronized perylene, terrylene, and quaterrylene bisimides have been synthesized and characterized with respect to their optical properties in polar organic solvents and water by using UV/Vis and fluorescence spectroscopy. All of these dyes were highly soluble in water, but the size of the chosen polyglycerol dendron was only sufficient to completely suppress dye aggregation for the core‐unsubstituted perylene derivative. Their high solubility in water and their absorption and emission wavelengths up to the NIR region make the core‐unsubstituted perylene and terrylene bisimides ideal candidates for applications in bioimaging, whilst the lack of fluorescence for quaterrylene bisimide in all polar solvents does not warrant further investigation of this chromophore in fluorescence and imaging applications. Likewise, tuning of the emission of rylene bisimides towards longer wavelengths by employing electron‐donating bay substituents is not a promising strategy, owing to the lower fluorescence quantum yields in polar solvents and, in particular, in water.
Rational Design for Cooperative Recognition of Specific Nucleobases Using β‐Cyclodextrin‐Modified DNAs and Fluorescent Ligands on DNA and RNA Scaffolds
Authors: Futamura Akika , Uemura Asuka , Imoto Takeshi , Kitamura Yusuke , Matsuura Hirotaka , Wang Chun‐Xia , Ichihashi Toshiki , Sato Yusuke , Teramae Norio , Nishizawa Seiichi , Ihara Toshihiro 
Published: July 2013

AbstractWe propose a binary fluorimetric method for DNA and RNA analysis by the combined use of two probes rationally designed to work cooperatively. One probe is an oligonucleotide (ODN) conjugate bearing a β‐cyclodextrin (β‐CyD). The other probe is a small reporter ligand, which comprises linked molecules of a nucleobase‐specific heterocycle and an environment‐sensitive fluorophore. The heterocycle of the reporter ligand recognizes a single nucleobase displayed in a gap on the target labeled with the conjugate and, at the same time, the fluorophore moiety forms a luminous inclusion complex with nearby β‐CyD. Three reporter ligands,MNDS(naphthyridine–dansyl linked ligand),MNDB(naphthyridine–DBD), andDPDB(pyridine–DBD), were used for DNA and RNA probing with 3′‐end or 5′‐end modified β‐CyD–ODN conjugates. For the DNA target, the β‐CyD tethered to the 3′‐end of the ODN facing into the gap interacted with the fluorophore sticking out into the major groove of the gap site (MNDSandDPDB). Meanwhile the β‐CyD on the 5′‐end of the ODN interacted with the fluorophore in the minor groove (MNDBandDPDB). The results obtained by this study could be a guideline for the design of binary DNA/RNA probe systems based on controlling the proximity of functional molecules.
Multivariate one‐sided tests for nonlinear mixed‐effects models
Authors: Wang Tao , Wu Lang 
Published: July 2013

AbstractMultivariate one‐sided hypotheses testing problems arise frequently in practice. Various tests have been developed, but mainly focused on multivariate normal distributions or contingency tables. In this article, motivated by HIV viral dynamic models, we study multivariate one‐sided tests in nonlinear mixed‐effects (NLME) models, for which no previous research has been carried out. We propose a likelihood ratio test (LRT), a Wald test, and a score test. Theoretical results are presented and computational issues are discussed. The proposed methods are evaluated using simulations. A real data example is presented to illustrate the methods.The Canadian Journal of Statistics41: 453–465; 2013 © 2013 Statistical Society of Canada
Quantum Chemical Study of the Enzymatic Repair of T(6‐4)C/C(6‐4)T UV‐Photolesions by DNA Photolyases
Authors: Faraji Shirin , Wirz Lukas , Dreuw Andreas 
Published: July 2013

AbstractSeveral strategies have evolved to repair one of the abundant UV radiation‐induced damages caused to DNA, namely the mutagenic pyrimidine (6‐4) pyrimidone photolesions. DNA (6‐4)‐photolyases are enzymes repairing these lesions by a photoinitiated electron transfer. An important aspect of a possible repair mechanism is its generality and transferability to different (6‐4) lesions. Therefore, previously suggested mechanisms for the repair of the T(6‐4)T lesion are here transferred to the T(6‐4)C and C(6‐4)T lesions and investigated theoretically using quantum chemical methods. Despite the different functional groups of the pyrimidine bases involved, a general valid molecular mechanism was identified, in which the initial step is an electron transfer coupled to a proton transfer from the protonated HIS365 to the N3′ nitrogen of the 3′ pyrimidine, followed by an intramolecular OH/NH2 transfer in one concerted step, which does not require an oxetane/azetidine or isolated water/ammonia intermediate.
Evaluation of the Structure–Activity Relationship of Rifabutin and Analogs: A Drug–Membrane Study
Authors: Pinheiro Marina , Pereira‐Leite Catarina , Arêde Mariana , Nunes Cláudia , Caio João M. , Moiteiro Cristina , Giner‐Casares Juan J. , Lúcio Marlene , Brezesinski Gerald , Camacho Luis , Reis Salette 
Published: July 2013

AbstractThis work focuses on the influence of rifabutin and two novel analogs, namely, N′‐acetyl‐rifabutin and N′‐butanoyl‐rifabutin, on the biophysical properties of lipid membranes. Monolayers and multilamellar vesicles composed of egg L‐α‐phosphatidylcholine:cholesterol in a molar ratio of 4:1 are chosen to mimic biological membranes. Several accurate biophysical techniques are used to establish a putative relationship between the chemical structure of the antimycobacterial compounds and their activity on the membranes. A combination of in situ experimental techniques, such as Langmuir isotherms, Brewster angle microscopy, polarization‐modulated infrared reflection–absorption spectroscopy, and small‐angle X‐ray scattering, is used to assess the drug–membrane interaction. A relationship between the effect of a drug on the organization of the membranes and their chemical structure is found and may be useful in the development of new drugs with higher efficacy and fewer toxic effects.
Exploiting the Twofold Donor Ability of Carbodiphosphoranes: Theoretical Studies of [(PPh3)2C→EH2]q (Eq=Be, B+, C2+, N3+, O4+) and Synthesis of the Dication [(Ph3P)2CCH2]2+
Authors: Celik Mehmet Ali , Frenking Gernot , Neumüller Bernhard , Petz Wolfgang 
Published: July 2013

AbstractQuantum chemical calculations at the BP86/TZVPP//BP86/SVP level of theory have been performed for the isoelectronic series of compounds [(PPh3)2C→EH2]q (Eq=Be, B+, C2+, N3+, O4+). The equilibrium geometries and bond dissociation energies were calculated and the nature of the C→E bond was investigated with charge and energy decomposition methods. The dication [(PPh3)2C→CH2]2+ could become isolated as a salt compound with two counter ions [AlBr4]−. The X‐ray structure analysis of [(PPh3)2C→CH2]2+ gave bond lengths and angles that are in good agreement with the calculated data. The geometry optimization of [(PPh3)2C→OH2]4+ gave [(PPh3)2C→OH]3+ as the equilibrium structure. Bonding analysis of [(PPh3)2C→EH2]q shows that [(PPh3)2C→BeH2] and [(PPh3)2C→BH2]+ possess donor–acceptor bonds in which the σ and π lone‐pair electrons of (PPh3)2C donate into the vacant orbitals of the acceptor fragment. The multiply charged compounds are better described as substituted olefins [(PPh3)2CCH2]2+, [(PPh3)2CNH2]3+, and [(PPh3)2COH]3+, which possess electron‐sharing σ and π bonds that arise from the interaction between the triplet states of [(PPh3)2C]2+ and the respective fragment CH2, (NH2)+, and (OH)+. The multiply charged cations [(PPh3)2CCH2]2+, [(PPh3)2CNH2]3+, and [(PPh3)2COH]3+ are calculated to be stable toward dissociation.
Recent colonization by a coastal plant of inland habitats at an ancient freshwater lake, Lake Biwa: multilocus sequencing and a demographic history of Lathyrus japonicus (Fabaceae)
Authors: Ohtsuki Tatsuo , Ikeda Hajime , Setoguchi Hiroaki 
Published: July 2013

AbstractAncient lakes have been recognized as “long‐term isolated islands” in terrestrial ecosystems. Lake Biwa, one of the few ancient lakes that formed around 4 million years ago, harbors many coastal species that commonly inhabit seashores. The beach pea, Lathyrus japonicus, is a typical coastal species of this freshwater lake, where morphological, physiological, and genetic differentiations have been reported between Biwa and coastal populations. Whether Biwa populations were isolated for long periods throughout Pleistocene climatic oscillations and subsequent range shifts is unclear. We assessed population genetic structure and demography of beach pea in this ancient freshwater lake using the sequences of eight nuclear loci. The results of STRUCTURE analyses showed evidence of admixture between Biwa and coastal populations, reflecting recent gene flow. The estimated demographic parameters implemented by the isolation with migration model (IM model) revealed a recent divergence (postglacial period) of Biwa populations, with some gene flow from Biwa to coastal populations. In addition, Biwa populations were significantly smaller in size than the ancestral or coastal populations. Our study suggests that a Holocene thermal maximum, when transgression could allow seeds from coastal plants to access Lake Biwa, was involved in the origin of the Biwa populations and their genetic divergence. Thus, coastal populations might have migrated to Lake Biwa relatively recently. Our study concluded that ancestral migrants in Lake Biwa were derived from small founding populations and accelerated genetic isolation of Biwa populations during short‐term isolation.
Evidence of gene flow between sympatric populations of the Middle East‐Asia Minor 1 and Mediterranean putative species of Bemisia tabaci
Authors: Tahiri Abdessalem , Halkett Fabien , Granier Martine , Gueguen Gwénaelle , Peterschmitt Michel 
Published: July 2013

AbstractBemisia tabaci is a complex of putative species that exhibit a strong geographical pattern. Crossing experiments have revealed various degrees of reproductive isolation between these nascent species, ranging between fertile first‐generation hybrids (F1) and no F1 at all. However, the relevance of these results under natural conditions is generally not known. The worldwide invasion of the putative species Middle East‐Asia Minor 1 (MEAM1) has caused secondary contacts between allopatric species, which in turn provide an opportunity to detect potential hybrids in nature. A total of 346 female B. tabaci were collected in 2003 and 2005 in the North East of Morocco and assigned to MEAM1 (119), Mediterranean (Med) (225) and a new putative species (2) using mitochondrial cytochrome oxidase (mtCOI) gene sequences. MEAM1 and Med individuals were characterized at seven microsatellite loci. MEAM1 and Med were found to be sympatric in 11 of 12 samples (6 fields/year). As previously reported from Spain, MEAM1 frequency decreased over time. The genetic data are consistent with a recent introduction of MEAM1. A Bayesian clustering analysis (Structure) distinguished two groups, which were 100% consistent with the mtCOI groups. From several lines of evidence, two individuals were identified as hybrids. Assignment profiles using NewHybrids and allele composition indicated that they were not F1 hybrids. The results are discussed in relation to the secondary endosymbiont infection status determined on a sample of individuals, and the contrasting outcomes of the reported crossing experiments between MEAM1 and Med.
Investigating sex‐specific dynamics using uniparental markers: West New Guinea as a case study
Authors: Mona Stefano , Mordret Ernest , Veuille Michel , Tommaseo‐Ponzetta Mila 
Published: July 2013

AbstractMitochondrialDNA(mtDNA) andYchromosome (NRY) genetic markers have been often contrasted to investigate sex‐specific dynamics. Traditionally, isolation by distance, intrapopulation genetic diversity and population differentiation are estimated from both markers and compared. Two possible sources of bias are often neglected. First, kilometric distances are frequently used as predictor of the connectivity between groups, hiding the role played by environmental features at a microgeographic scale. Second, the comparison of intrapopulation diversity and population differentiation between mtDNAandNRYis hampered by their different mutational mechanisms and rates. Here, we show how to account for these biases by analyzing from a different perspective a published dataset of eightWestNewGuinea (WNG) populations for which mtDNAcontrol region sequences and seven linkedNRYmicrosatellites had been typed. First, we modeled the connectivity among sampled populations by computing the number of days required to travel between groups. Then, we investigated the differences between the two sexes accounting for the molecular characteristics of the markers examined to obtain estimates on the product of the effective population size and the migration rate among demes (Nm). We achieved this goal by studying the shape of the gene genealogy at several sampling levels and using spatial explicit simulations. Both the direction and the rate of migration differ between male and females, with anNmestimated to be >6 times higher in the latter under many evolutionary scenarios. We finally highlight the importance of applying metapopulation models when analyzing the genetic diversity of a species.
Long‐Range Diastereoselectivity in an Ugi Reaction: Stereocontrolled and Diversity‐Oriented Synthesis of Tetrahydrobenzoxazepines
Authors: Banfi Luca , Bagno Alessandro , Basso Andrea , De Santis Carlo , Riva Renata , Rastrelli Federico 
Published: July 2013

AbstractSalicylaldehydes and protected 1,2‐amino alcohols have been convergently converted into a series of 2,3‐dihydrobenzo[f][1,4]oxazepines, which undergo an Ugi–Joullié multicomponent reaction with unusual long‐range diastereoselectivity. This protocol allows the diastereoselective preparation, in only two steps, of a series of drug‐like tetrahydrobenzo[f][1,4]oxazepines, with the combinatorial introduction of four diversity points. The possibility of obtaining these compounds in enantiomerically pure form was also demonstrated.
Laughing and liking: Exploring the interpersonal effects of humor use in initial social interactions
Authors: Treger Stanislav , Sprecher Susan , Erber Ralph 
Published: July 2013

AbstractHumor is a common interpersonal phenomenon that may positively influence the trajectories of social interactions. In two social interaction experiments, we examined the association between humor and liking. The first study was a secondary analysis of data from a prior experiment (originally conducted for another purpose) in which unacquainted participants engaged in a self‐disclosure task and rated each other on various dimensions, including humor. In Experiment 2, unacquainted mixed‐sex dyads participated in a series of either humorous or similar but non‐humorous tasks. In both studies, humor was positively associated with liking and closeness; perceived reciprocal liking and enjoyment of the interaction mediated the association between humor and liking. Likewise, we found a positive association between liking and humor. Men and women did not differ in self‐reported humor use. The findings suggest that humor is a mechanism used to establish connections with others across all relationships and for both sexes. Copyright © 2013 John Wiley & Sons, Ltd.
Crustal structure along the Aleutian island arc: New insights from receiver functions constrained by active‐source data
Authors: Janiszewski Helen A. , Abers Geoffrey A. , Shillington Donna J. , Calkins Josh A. 
Published: June 2013

Key Points

Aleutian crustal structure determined through receiver functions
Active source results constrain receiver function data using new method
Parameters describing magma chamber estimated through forward modeling
Dependence of abrupt Atlantic meridional ocean circulation changes on climate background states
Authors: Gong Xun , Knorr Gregor , Lohmann Gerrit , Zhang Xu 
Published: June 2013

AbstractAbrupt decadal climate changes during the last glacial‐interglacial cycle are less pronounced during maximum glacial conditions and absent during the Holocene. To further understand the underlying dynamics, we conduct hosing experiments for three climate states: preindustrial (PI), 32 kiloannum before present (ka B.P.), and Last Glacial Maximum (LGM). Our simulations show that a stronger temperature inversion between the surface and intermediate layer in the South Labrador Sea induces a faster restart of convective processes (32 ka B.P. > LGM > PI) during the initial resumption of the Atlantic meridional overturning circulation (AMOC). A few decades later, an AMOC overshoot is mainly linked to the advection of warmer and saltier intermediate‐layer water from the tropical Atlantic into the South Labrador Sea, which causes a stronger deep‐water formation than that before the freshwater perturbation. This mechanism is most pronounced during the 32 ka B.P., weaker during the LGM and absent during the PI.