bluuebunny/crossref_metadata_2025 huggingface dataset:
Tetraalkoxyphenanthrene‐Fused Dehydroannulenes: Synthesis, Self‐Assembly, and Electronic, Optical, and Electrochemical Properties
Authors: Kato Shin‐ichiro , Takahashi Nobutaka , Tanaka Hidekazu , Kobayashi Atsushi , Yoshihara Toshitada , Tobita Seiji , Yamanobe Takeshi , Uehara Hiroki , Nakamura Yosuke
Published: July 2013

Novel tetraalkoxyphenanthrene‐fused dehydro[12]‐, [18]‐, and [24]annulenes 1–3 were synthesized by using Cu‐mediated or Pd‐catalyzed oxidative macrocyclization reactions as key steps, and their electronic, optical, and electrochemical properties have been investigated in detail. X‐ray crystallographic analysis of a single crystal of 1 a demonstrated that the molecules were arranged longitudinally in a slipped π‐stacked fashion to form a 1D column. 1H NMR and UV/Vis spectroscopic and cyclic voltammetric analysis in conjugation with nucleus‐independent chemical shift (NICS) calculations for 1–3 support that the annulation at the 9,10‐positions of phenanthrene to the dehydroannulene ring enhances the tropicity and decreases the HOMO–LUMO gaps of the molecules relative to the benzannulation and that 1 possesses an antiaromatic character. Self‐association behavior due to π–π stacking in CDCl3 was observed for 1 and 2 and was quantified by concentration‐dependent 1H NMR spectroscopic measurements. The self‐assembly of 1 and 2 into well‐defined 1D superstructures with high aspect ratios were obtained, and the morphology and crystallinity of these compounds were investigated by means of SEM and wide‐angle X‐ray diffraction (WAXD) measurements. Furthermore, it was shown that 1 b and 2 b display liquid‐crystalline phases by means of differential scanning calorimetry, polarizing optical microscopy, and variable‐temperature WAXD measurements.
Enantiomeric Separation of 13 New Amphetamine‐Like Designer Drugs by Capillary Electrophoresis, Using Modified‐‐Cyclodextrins
Authors: Burrai Lucia , Nieddu Maria , Pirisi Maria Antonietta , Carta Antonio , Briguglio Irene , Boatto Gianpiero
Published: July 2013

An easy‐to‐prepare chiral CE method for the enantiomeric separation of 13 new amphetamine‐like designer drugs, using CDs as chiral selectors, was developed. Sulfated‐β‐CD was found to be the best chiral selector among the three used (sulfated‐β‐CD, caroboxymethyl‐β‐CD, dimethyl‐β‐CD). The separation of the analytes was achieved in a fused‐silica gel capillary at 20 °C using an applied voltage of +25 kV. The optimized background electrolyte consisted of 63.5 mM H3PO4 and 46.9 mM NaOH in water. Several electrophoretic parameters such as CD type, CD concentration (1 − 40 mg/mL), buffer pH (2.6, 3.6, 5.0, 6.0), length of the capillary (70 − 40 cm total length), amount of the organic solvent (methanol and acetonitrile) were investigated and optimized. Chirality 25:617–621, 2013. © 2013 Wiley Periodicals, Inc.
Adsorption Interference Mechanism for Endocrine Disrupting Compounds in Sediment–Water System by Quantitative Structure–Property Relationship Models
Authors: Li Yu , Zhang Chen , Liu Jian‐Lin , Li Xiao‐Li , Li Xiao‐Peng
Published: July 2013

The thermodynamics of endocrine disruption compounds (EDCs) were studied. A quantitative structure–property relationship (QSPR) model was used to estimate the contributions of the physicochemical properties (PPs) of EDCs for maximum adsorption capacity. The variables in QSPR were selected from multiple PPs through a Pearson correlation and principle component analysis. The result suggested EDCs had a strong mobility in sediments. Connolly solvent excluded volume (CSEV), polarizability, cluster count, sum of degrees, and total connectivity were identified as variables for QSPR. In single adsorption, estrone (E1), estradiol (E2), ethinylestradiol (EE2), estriol (E3), and bisphenol A (BPA) were dominated by cluster count (59.87%) and sum of degrees (−38.59%), with more roles attributed to adsorption by polarizability (70.52%) and the interaction of CSEV and polarizability (18.16%). In interference adsorption, E1, EE2, E3, and BPA was dominated by cluster count (−82.79 to 55.13%), the attribution to adsorption by the interactions from polarizability and sum of degrees (−52.06 to 66.51%) was significant for E1, EE2, E3, and BPA, with more contribution indicated for the polarizability (49.02%), sum of degree (−43.14%), and CSEV (−82.11%) to E2. The established QSPR model was helpful to explain the adsorption mechanism of multiple EDCs and organic compounds, such as pesticides and polycyclic aromatic hydrocarbons, during the adsorption progress.
Investigation of Leachate Treatment with Electrocoagulation and Optimization by Response Surface Methodology
Authors: Kabuk Harun Akif , İlhan Fatih , Avsar Yasar , Kurt Ugur , Apaydin Omer , Gonullu Mustafa T.
Published: July 2013

This study examined the treatability of leachate with the electrocoagulation process and its optimization using the response surface method. The three‐parameter optimization process and a 5‐level, 6‐replicate central composite design were included in the investigation on a set of 36 pieces created for the study. A second‐order full polynomial approximation model was applied to evaluate the results of the optimization studies, which were performed for the removal of chemical oxygen demand, total suspended solids, total organic carbon, total Kjeldahl nitrogen, and NH3‐N. When these parameters were compared, the appropriate working conditions obtained for current density and time were 20 mA cm−2 and 60 min, respectively, at pH 8. In this way, both pH adjustment and power costs were reduced.
Supramolecular Host‐Inhibited Excited‐State Proton Transfer and Fluorescence Switching of the Anti‐Cancer Drug, Topotecan
Authors: Gavvala Krishna , Sengupta Abhigyan , Koninti Raj Kumar , Hazra Partha
Published: July 2013

The effect of cucurbit[7]uril (CB[7]) nano‐caging on the photophysical properties, particularly excited‐state proton transfer (ESPT) reaction, of an eminent anti‐cancer drug, topotecan (TPT), is demonstrated through steady‐state and time‐resolved fluorescence measurements. TPT in water (pH 6) exists exclusively as the cationic form (C) in the ground state. However, the drug emission mainly comes from the excited‐state zwitterionic form (Z*) of TPT, and is attributed to water‐assisted ESPT between the 10‐hydroxyl group and water, which leads to the transformation of C* to Z* of TPT. In the presence of CB[7], it is found that selective encapsulation of the C form of TPT results in the formation of a 1:1 inclusion complex (CB[7]:TPT), and the ESPT process is inhibited by this encapsulation process. As a result, C* becomes the dominant emitting species in the presence of CB[7] rather than Z*, and fluorescence switching takes place from green to blue. Time‐resolved studies also support the existence of CB[7]‐encapsulated cationic species as the major emitting species in the presence of the macrocyclic host. Semi‐empirical quantum chemical calculations are employed to gain insight into the molecular picture of orientation of TPT in the inclusion complex. It is clearly seen from the optimised structure of 1:1 CB[7]:TPT inclusion complex that both 10‐hydroxyl and 9‐dimethylaminomethylene groups of TPT lie partly inside the cavity, and thereby inhibit the excited‐state transformation of C* to Z* by the ESPT process. Finally, controlled release of the drug is achieved by means of fluorescence switching by introducing NaCl, which is rich in cells, as an external stimulus.
Fuzzy step size least mean square algorithm tuned linearly constrained constant modulus algorithm for multi‐carrier code division multiple access blind multiuser detector
Authors: Hung Ho‐Lung , Cheng Chia‐Hsin
Published: July 2013

Adaptive fuzzy logic step size least mean square algorithm (FLCLMS) tuning unit is designed to adjust the step size of the linear constrained constant modulus algorithm for blind multiuser detection (MUD) in multi‐carrier code division multiple access (MC‐CDMA) systems is presented. In wireless communications system, the conventional constant modulus algorithm for blind MUD has some disadvantages such as slow convergence speed and phase rotation. To overcome these shortages, a modified constant modulus algorithm was developed for blind multiuser detector. On the basis of the deterministic behavior of the FLCLMS algorithm, it has also proposed simplification over the cost function calculation, obtaining more efficient algorithm and creating new perspective for the MUD implementation. The proposed algorithm ensures the algorithm convergence to the desired user and suppresses the multiple access interference in this cost function. Thus, the performance of the system is improved. The computational experiments show that the proposed FLCLMS not only can find optimal or closed‐to‐optimal solutions but also can obtain the low computation complexity both better and more robust results than existing algorithm reported recently in the literature. Copyright © 2013 John Wiley & Sons, Ltd.
Phenological overlap of interacting species in a changing climate: an assessment of available approaches
Authors: Rafferty Nicole E. , CaraDonna Paul J. , Burkle Laura A. , Iler Amy M. , Bronstein Judith L.
Published: July 2013

Concern regarding the biological effects of climate change has led to a recent surge in research to understand the consequences of phenological change for species interactions. This rapidly expanding research program is centered on three lines of inquiry: (1) how the phenological overlap of interacting species is changing, (2) why the phenological overlap of interacting species is changing, and (3) how the phenological overlap of interacting species will change under future climate scenarios. We synthesize the widely disparate approaches currently being used to investigate these questions: (1) interpretation of long‐term phenological data, (2) field observations, (3) experimental manipulations, (4) simulations and nonmechanistic models, and (5) mechanistic models. We present a conceptual framework for selecting approaches that are best matched to the question of interest. We weigh the merits and limitations of each approach, survey the recent literature from diverse systems to quantify their use, and characterize the types of interactions being studied by each of them. We highlight the value of combining approaches and the importance of long‐term data for establishing a baseline of phenological synchrony. Future work that scales up from pairwise species interactions to communities and ecosystems, emphasizing the use of predictive approaches, will be particularly valuable for reaching a broader understanding of the complex effects of climate change on the phenological overlap of interacting species. It will also be important to study a broader range of interactions: to date, most of the research on climate‐induced phenological shifts has focused on terrestrial pairwise resource–consumer interactions, especially those between plants and insects.
How landscape scale changes affect ecological processes in conservation areas: external factors influence land use by zebra (Equus burchelli) in the Okavango Delta
Authors: Bartlam‐Brooks Hattie L. A. , Bonyongo Mpaphi C. , Harris Stephen
Published: July 2013

Most large‐bodied wildlife populations in sub‐Saharan Africa only survive in conservation areas, but are continuing to decline because external changes influence ecological processes within reserves, leading to a lack of functionality. However, failure to understand how landscape scale changes influence ecological processes limits our ability to manage protected areas. We used GPS movement data to calculate dry season home ranges for 14 zebra mares in the Okavango Delta and investigated the effects of a range of landscape characteristics (number of habitat patches, mean patch shape, mean index of juxtaposition, and interspersion) on home range size. Resource utilization functions (RUF) were calculated to investigate how specific landscape characteristics affected space use. Space use by all zebra was clustered. In the wetter (Central) parts of the Delta home range size was negatively correlated with the density of habitat patches, more complex patch shapes, low juxtaposition of habitats and an increased availability of floodplain and grassland habitats. In the drier (Peripheral) parts of the Delta, higher use by zebra was also associated with a greater availability of floodplain and grassland habitats, but a lower density of patches and simpler patch shapes. The most important landscape characteristic was not consistent between zebra within the same area of the Delta, suggesting that no single foraging strategy is substantially superior to others, and so animals using different foraging strategies may all thrive. The distribution and complexity of habitat patches are crucial in determining space use by zebra. The extent and duration of seasonal flooding is the principal process affecting habitat patch characteristics in the Okavango Delta, particularly the availability of floodplains, which are the habitat at greatest risk from climate change and anthropogenic disturbance to the Okavango's catchment basin. Understanding how the factors that determine habitat complexity may change in the future is critical to the conservation of large mammal populations. Our study shows the importance of maintaining flood levels in the Okavango Delta and how the loss of seasonal floodplains will be compounded by changes in habitat configuration, forcing zebra to change their relative space use and enlarge home ranges, leading to increased competition for key resources and population declines.
Genetic attributes of midwife toad (Alytes obstetricans) populations do not correlate with degree of species decline
Authors: Tobler Ursina , Garner Trenton W. J. , Schmidt Benedikt R.
Published: July 2013

Genetic diversity is crucial for long‐term population persistence. Population loss and subsequent reduction in migration rate among the most important processes that are expected to lead to a reduction in genetic diversity and an increase in genetic differentiation. While the theory behind this is well‐developed, empirical evidence from wild populations is inconsistent. Using microsatellite markers, we compared the genetic structure of populations of an amphibian species, the midwife toad (Alytes obstetricans), in four Swiss regions where the species has suffered variable levels of subpopulation extirpation. We also quantified the effects of several geographic factors on genetic structure and used a model selection approach to ascertain which of the variables were important for explaining genetic variation. Although subpopulation pairwise FST‐values were highly significant even over small geographic scales, neither any of the geographic variables nor loss of subpopulations were important factors for predicting spatial genetic structure. The absence of a signature of subpopulation loss on genetic differentiation may suggest that midwife toad subpopulations function as relatively independent units.
Vegetation induced changes in the stable isotope composition of near surface humidity
Authors: Simonin Kevin A. , Link Percy , Rempe Daniella , Miller Scot , Oshun Jasper , Bode Colin , Dietrich William E. , Fung Inez , Dawson Todd E.
Published: July 2013

Obtaining the d‐excess parameter from oxygen and hydrogen stable isotope composition of meteoric waters has the potential power to reconstruct changes in atmospheric water pools (e,g. sources, origins and overall balance) and the climatic conditions that prevail during surface evaporation. Recently, plant and ecosystem scientists turned their attention using d‐excess information to inform questions at these scales. Here, we use the d‐excess parameter to evaluate the influence of forest canopies on atmospheric humidity within a mixed evergreen forest in coastal California. We found that during the day, when transpiration was at a maximum, the d‐excess of atmospheric water vapour exceeded model predictions for the background atmosphere into which the ecosystem evapotranspiration mixes. At night when transpiration was minor, the d‐excess of atmospheric water vapour was on average less than model predictions for an ocean derived water vapour source. The observed diurnal fluctuations around the d‐excess of the modelled background water vapour provided a strong evidence that during the day as the land surface warms and the boundary layer grows plants alter the isotope composition of atmospheric humidity via non‐steady state isotope effects. In contrast, at night equilibrium isotope effects dominate as the atmosphere stabilizes. These day and nighttime fluctuations around the d‐excess of ocean derived water vapour highlight the importance of plant transpiration for the isotope hydrology of near surface humidity and subsequently for the isotope composition of condensate like dew, an important water input to this ecosystem. Copyright © 2013 John Wiley & Sons, Ltd.
An Identification Method of Magnetizing Inrush Current Phenomena by Voltage Waveform
Authors: Naitoh Tadashi , Takeda Keiki , Toyama Atsushi , Maeda Tatsuhiko
Published: July 2013

In this paper, the authors propose a new method for identification of magnetizing inrush current phenomena. In general, the identification is performed using the current waveform. However, saturation of current transformers makes it impossible to obtain such a waveform. Therefore, the authors introduce an identification method using the voltage waveform, in which the transformer saturation voltage does not occur. By applying Aitken's Δ2 process, it is shown that the new identification method gives accurate saturation start and end times.
A Basic Study of User Utility Maximizing Content Retrieval from Information Networks
Authors: Sugawara Shinji , Ohnishi Hiroyuki
Published: July 2013

This paper proposes some basic methods of content search yielding high user utility or user's satisfaction from numerous information sources scattered over large‐scale networks. In these methods, the search policy is decided by the estimated user utility gain and/or current user utility for each search action, and the most favorable combination of information sources and search content items is selected so as to enlarge the total user utility of the entire search activity. In addition, we evaluate the efficiency of the methods by computer simulations, in which we specify the network topology, user utility functions, probabilities of existence of the search content items in each information source, and so on, apply the proposed methods and other methods for comparison, and compare their aggregate utility gains as an estimation index. The proposed methods are found to achieve good performance in general and an index value about 2.45 times that of ordinary search is observed in an extreme simulation scenario. We discuss the pros and cons of the proposed methods for all the simulation scenarios.
Transient Magnetic Fields and Current Distributions in an Electric Vehicle Caused by a Lightning Stroke
Authors: Yamamoto Kazuo , Kanata Jun , Ametani Akihiro
Published: July 2013

An electric vehicle has more electronic parts than a gasoline‐powered vehicle. Not only the control circuits but also the driving circuits of electric vehicles are electrical, in contrast to those of gasoline‐powered vehicles. This means that there is a higher possibility of malfunctions in an electric vehicle due to electromagnetic disturbances caused by a lightning stroke. Therefore, it is important to establish lightning protection methodologies for electric vehicles. To clear up with the mechanisms whereby the lightning current following through the vehicle body and some other parts causes the malfunctions, it is important to clarify the transient magnetic fields and current distributions in electric vehicles. In this paper, the transient magnetic fields and the current distributions in an electric vehicle are simulated by the FDTD method, and the probability of lightning damage is discussed.
Frequency Control with Dead Band Characteristic of Battery Energy Storage System for Power System Including Large Amount of Wind Power Generation
Authors: Ono Takayuki , Arai Junichi
Published: July 2013

This paper proposes a method for frequency control of a battery energy storage system applied for frequency deviation suppression in a power system including a large amount of wind power generation. A 5000‐MW power system capacity with governor control and load frequency control is assumed for the study, and 500 MW of wind power generation capacity is assumed. The battery energy storage system is assumed to be added for frequency control in the power system. Suitable frequency control functions of the battery energy storage system and suitable capacity of the battery energy storage system which coordinate with conventional frequency controllers in the power system are reported.
Th1‐mediated experimental autoimmune encephalomyelitis is CXCR3 independent
Authors: Lalor Stephen J. , Segal Benjamin M.
Published: July 2013

Drugs that block leukocyte trafficking ameliorate multiple sclerosis (MS). Occurrences of opportunistic infection, however, highlight the need for novel drugs that modulate more restricted subsets of T cells. In this context, chemokines and their receptors are attractive therapeutic targets. CXCR3, a Th1‐associated chemokine receptor, is preferentially expressed on T cells that accumulate in MS lesions and central nervous system (CNS) infiltrates of mice with experimental autoimmune encephalomyelitis (EAE). Surprisingly, mice genetically deficient in either CXCR3 or CXCL10 succumb to EAE following active immunization with myelin antigens. EAE is mediated by a heterogeneous population of T cells in myelin‐immunized mice. Hence, disease might develop in the absence of CXCR3 secondary to the compensatory action of encephalitogenic CCR6+ Th17 cells. However, in the current study, we show for the first time that blockade or genetic deficiency of either CXCR3 or of its primary ligand has no impact on clinical EAE induced by the adoptive transfer of highly polarized Th1 effector cells. Our data illustrate the fact that, although highly targeted immunotherapies might have more favorable side effect profiles, they are also more likely to be rendered ineffective by inherent redundancies in chemokine and cytokine networks that arise at sites of neuroinflammation.
Synthesis of Heterodimetallic Iridium–Palladium Complexes Containing Two Axes of Chirality: Study of Sequential Catalytic Properties
Authors: Sabater Sara , Mata Jose A. , Peris Eduardo
Published: July 2013

The reaction of [Cp*Cl2Ir(triazolium‐ylidene)]BF4(Cp* = pentamethylcyclopentadienyl) with chiral orthometalated palladium dimers results in facile bridge splitting to afford heterodimetallic Ir–Pd* complexes. The structural characteristics of these complexes show the presence of different isomers as a consequence of hindered rotation about the M–Ccarbenebond (M = Ir/Pd). The heterodimetallic complexes contain two axes of chirality related to each metal. The crystal structure of one heterodimetallic iridium–palladium complex derived from the chiralN,N‐dimethylbenzylamine ligand is described and contains two of the rotamers. The Ir/Pd* complexes have been tested in a sequence of two catalytic reactions, which implies the isomerization and asymmetric hydrophosphination of 1,3‐diphenylpropargyl alcohol. All the catalysts show high activity in the overall reaction process and excellent regioselectivity, although the enantioselectivities were low.
Characterization of Hexameric and Octameric sec‐Butyllithium/sec‐Butoxide Mixed Aggregates
Authors: Su Chicheung , Hopson Russell , Williard Paul G.
Published: July 2013

Solution‐state characterization of sec‐butyllithium in [D8]toluene was conducted by utilizing a variety of NMR spectroscopic experiments including diffusion‐ordered NMR spectroscopy (DOSY) with diffusion‐coefficient–formula‐weight correlation analyses and other one‐ and two‐dimensional NMR spectroscopic techniques. These results suggest that sec‐butyllithium exists primarily as a tetramer/hexamer mixture in hydrocarbon solvents. However, the presence of roughly 2–5 % (by mol ratio) lithium sec‐butoxide in both commercially available and laboratory‐synthesized sec‐butyllithium solutions due to the reaction with adventitious dioxygen will lead to the formation of a 1:5 sec‐butoxide/sec‐butyllithium mixed hexamer. A sec‐butoxide/sec‐butyllithium mixed octamer will emerge when the proportion of butoxide to butyllithium increases.
Evasive Neutral 2‐Aza‐Cope Rearrangements. Kinetic and Computational Studies with Cyclic Nitrones
Authors: Delso Ignacio , Melicchio Alessandro , Isasi Arantzazu , Tejero Tomás , Merino Pedro
Published: July 2013

A full experimental study of the activation energy required for the hitherto unknown neutral 2‐aza‐Cope rearrangement is presented. A kinetic study of the process showed activation energies in the range of 22.91–24.06 kcal/mol, in agreement with a process operating at moderate temperature (70 °C). Calculations at B3LYP/6‐311+G(d,p) and M06‐2X/6‐311+G(d,p) levels of theory considering solvent (dimethyl sulfoxide (DMSO) and toluene) effects (PCM model) predict reaction energy barriers that are in agreement with the values obtained from 1H NMR‐based kinetic experiments. Results obtained by using enantiomerically pure substrates demonstrate that the rearrangement takes place with complete transfer of chirality, in contrast to previously described cationic processes. The effects of solvent and acid catalysis, which converts the process into the more common cationic rearrangement, have also been studied. DFT calculations also predict correctly the acceleration of the process under acid catalysis, estimating energy barriers in the range of 16.80–18.57 kcal/mol.
Simultaneous Anodic Stripping Voltammetric Determination of Pb and Cd, Using a Vibrating Gold Microwire Electrode, Assisted by Chemometric Techniques
Authors: Alves Georgina M. S. , Magalhães Júlia M. C. S. , Tauler Roma , Soares Helena M. V. M.
Published: July 2013

Simultaneous anodic stripping voltammetric determination of Pb and Cd is restricted on gold electrodes as a result of the overlapping of these two peaks. This work describes the quantitative determination of a binary mixture system of Pb and Cd, at low concentration levels (up to 15.0 and 10.0 µg L−1 for Pb and Cd, respectively) by differential pulse anodic stripping voltammetry (DPASV; deposition time of 30 s), using a green electrode (vibrating gold microwire electrode) without purging in a chloride medium (0.5 M NaCl) under moderate acidic conditions (HCl 1.0 mM), assisted by chemometric tools. The application of multivariate curve resolution alternating least squares (MCR‐ALS) for the resolution and quantification of both metals is shown. The optimized MCR‐ALS models showed good prediction ability with concentration prediction errors of 12.4 and 11.4 % for Pb and Cd, respectively. The quantitative results obtained by MCR‐ALS were compared to those obtained with partial least squares (PLS) and classical least squares (CLS) regression methods. For both metals, PLS and MCR‐ALS results are comparable and superior to CLS. For Cd, as a result of the peak shift problem, the application of CLS was unsuitable. MCR‐ALS provides additional advantage compared to PLS since it estimates the pure response of the analytes signal. Finally, the built up multivariate calibration models, based either in MCR‐ALS or PLS regression, allowed to quantify concentrations of Pb and Cd in surface river water samples, with satisfactory results.
MicroRNA expression profile and functional analysis reveal that miR‐382 is a critical novel gene of alcohol addiction
Authors: Li Jingyuan , Li Jing , Liu Xiaojun , Qin Shanshan , Guan Yanzhong , Liu Yuwei , Cheng Yunhui , Chen Xiuwen , Li Wen , Wang Shenming , Xiong Ming , Kuzhikandathil Eldo V. , Ye Jiang‐Hong , Zhang Chunxiang
Published: July 2013

Alcohol addiction is a major social and health concern. Here, we determined the expression profile of microRNAs (miRNAs) in the nucleus accumbens (NAc) of rats treated with alcohol. The results suggest that multiple miRNAs were aberrantly expressed in rat NAc after alcohol injection. Among them, miR‐382 was down‐regulated in alcohol‐treated rats. In both cultured neuronal cells in vitro and in the NAc in vivo, we identified that the dopamine receptor D1 (Drd1) is a direct target gene of miR‐382. Via this target gene, miR‐382 strongly modulated the expression of DeltaFosB. Moreover, overexpression of miR‐382 significantly attenuated alcohol‐induced up‐regulation of DRD1 and DeltaFosB, decreased voluntary intake of and preference for alcohol and inhibited the DRD1‐induced action potential responses. The results indicated that miRNAs are involved in and may represent novel therapeutic targets for alcoholism.
Earthquake response of concrete arch dams: a plastic–damage approach
Authors: Omidi Omid , Lotfi Vahid
Published: July 2013

There are several alternatives to evaluate seismic damage‐cracking behavior of concrete arch dams, among which damage theory is the most popular. A more recent option introduced for this purpose is plastic–damage (PD) approach. In this study, a special finite element program coded in 3‐D space is developed on the basis of a well‐established PD model successfully applied to gravity dams in 2‐D plane stress state. The model originally proposed by Lee and Fenves in 1998 relies on isotropic damaged elasticity in combination with isotropic tensile and compressive plasticity to capture inelastic behaviors of concrete in cyclic or dynamic loadings. The present implementation is based on the rate‐dependent version of the model, including large crack opening/closing possibilities. Moreover, with utilizing the Hilber–Hughes–Taylor time integration scheme, an incremental–iterative solution strategy is detailed for the coupled dam–reservoir equations while the damage–dependent damping stress is included. The program is initially validated, and then, it is employed for the main analyses of the Koyna gravity dam in a 3‐D modeling as well as a typical concrete arch dam. The former is a major verification for the further examination on the arch dam. The application of the PD model to an arch dam is more challenging because the governing stress condition is multiaxial, causing shear damage to become more important than uniaxial states dominated in gravity dams. In fact, the softening and strength loss in compression for the damaged regions under multiaxial cyclic loadings affect its seismic safety. Copyright © 2013 John Wiley & Sons, Ltd.
A nonlinear macroelement model for the seismic analysis of masonry buildings
Authors: Penna Andrea , Lagomarsino Sergio , Galasco Alessandro
Published: July 2013

The macroelement technique for modelling the nonlinear response of masonry panels is particularly efficient and suitable for the analysis of the seismic behaviour of complex walls and buildings. The paper presents a macroelement model specifically developed for simulating the cyclic in‐plane response of masonry walls, with possible applications in nonlinear static and dynamic analysis of masonry structures. The model, starting from a previously developed macroelement model, has been refined in the representation of flexural–rocking and shear damage modes, and it is capable of fairly simulating the experimental response of cyclic tests performed on masonry piers. By means of two internal degrees of freedom, the two‐node macroelement permits to represent the coupling of axial and flexural response as well as the interaction of shear and flexural damage. Copyright © 2013 John Wiley & Sons, Ltd.
Preparation and characterization of chitosan nanoparticles as the delivery system for tuberose fragrance
Authors: Xiao Zuobing , Tian Ting , Hu Jing , Wang Mingxi , Zhou Rujun
Published: July 2013

Chitosan (CS) exhibits non‐toxicity, biocompatibility and antibacterial activity in the pharmaceutical field. Fragrance is obtained by blending a large number of different spices and odorous materials in a specific ratio. However, their main ingredients are labile and volatile. Most volatile fragrances are easily lost during manufacture, storage and use of the perfumes or the perfumed consumer products. In this study, tuberose fragrance (TF) was encapsulated inside CS nanoparticles (TC‐NPs) via the ionic gelification in emulsion system. The influence of reaction conditions, such as weight ratio of CS to tripolyphosphate (TPP) as well as CS and TF concentration, on the properties of nanoparticles (particle size and zeta potential) was investigated in detail. TC‐NPs were characterized with transmission electron microscopy (TEM), dynamic light scattering (DLS), Fourier transformation infrared spectroscopy (FTIR), gas chromatography–mass spectrometry (GC–MS) and thermogravimetric analysis (TGA). TC‐NPs (174 nm) were obtained with the weight ratio of CS/TPP 5:1, 1.5 mg/ml CS and 100% TF. FTIR demonstrated that TF can be functioned with CS via intermolecular forces and hydrogen bonds. TGA displayed that the thermal stability of TC‐NPs was improved compared with that of TF and that TF loading capacity was 29.5%. GC–MS showed that 90% fragrances in TF had been encapsulated into TC‐NPs. GC with flame ionization detector (FID) displayed that the contents of fragrant components released from NPs were much less than that of TF after heating for 30 h. The antimicrobial activities of TC‐NPs were higher than that of TF. TC‐NPs displayed lower cytotoxicity to the cells. It is shown that CS‐NPs is a multifunctional carrier material for fragrance. Copyright © 2013 John Wiley & Sons, Ltd.
The Importance of the Macroeconomic Variables in Forecasting Stock Return Variance: A GARCH‐MIDAS Approach
Authors: Asgharian Hossein , Hou Ai Jun , Javed Farrukh
Published: July 2013

This paper applies the GARCH‐MIDAS (mixed data sampling) model to examine whether information contained in macroeconomic variables can help to predict short‐term and long‐term components of the return variance. A principal component analysis is used to incorporate the information contained in different variables. Our results show that including low‐frequency macroeconomic information in the GARCH‐MIDAS model improves the prediction ability of the model, particularly for the long‐term variance component. Moreover, the GARCH‐MIDAS model augmented with the first principal component outperforms all other specifications, indicating that the constructed principal component can be considered as a good proxy of the business cycle. Copyright © 2013 John Wiley & Sons, Ltd.
Evaluation of Regime Switching Models for Real‐Time Business Cycle Analysis of the Euro Area
Authors: Billio Monica , Ferrara Laurent , Guégan Dominique , Mazzi Gian Luigi
Published: July 2013

In this paper, we aim at assessing Markov switching and threshold models in their ability to identify turning points of economic cycles. By using vintage data updated on a monthly basis, we compare their ability to dateex postthe occurrence of turning points, evaluate the stability over time of the signal emitted by the models and assess their ability to detect in real‐time recession signals. We show that the competitive use of these models provides a more robust analysis and detection of turning points. To perform the complete analysis, we have built a historical vintage database for the euro area going back to 1970 for two monthly macroeconomic variables of major importance for short‐term economic outlook, namely the industrial production index and the unemployment rate. Copyright © 2013 John Wiley & Sons, Ltd.
A Novel Credit Rating Migration Modeling Approach Using Macroeconomic Indicators
Authors: Berteloot Koen , Verbeke Wouter , Castermans Gerd , Van Gestel Tony , Martens David , Baesens Bart
Published: July 2013

Modeling credit rating migrations conditional on macroeconomic conditions allows financial institutions to assess, analyze, and manage the risk related to a credit portfolio. Existing methodologies to model credit rating migrations conditional on the business cycle suffer from poor accuracy, difficult readability, or model inconsistencies. The modeling methodology proposed in this paper extends ordinal logistic regression to estimate the complete migration matrix including default rates as a function of rating dynamics and macroeconomic indicators. The gradient and Hessian derivations show efficient optimization within the Levenberg–Marquardt algorithm. The proposed modeling methodology is applied to model corporate rating migrations using historical data from 1984 to 2011. It is shown that the resulting model captures the cyclical behavior of credit rating migrations and default rates, and is able to approximate historic migration levels with good precision. The model therefore permits analysis of the impact of economical downturn conditions on a credit portfolio. Copyright © 2013 John Wiley & Sons, Ltd.
Raw Materials for Archaeological Pottery from the Campania Region of Italy: A Petrophysical Characterization
Authors: De Bonis Alberto , Grifa Celestino , Cultrone Giuseppe , De Vita Pantaleone , Langella Alessio , Morra Vincenzo
Published: July 2013

We performed petrophysical analyses on 34 clayey samples of different geological origin within the Campania region of Italy in order to determine possible sources of raw materials used to produce ancient pottery. Possible raw material sources can be grouped into high‐CaO clays (HCC) and low‐CaO clays (LCC). HCC are mainly represented by more recent (Miocene‐Pleistocene) basinal sediments whereas LCC tend to be associated with basinal, alluvial, and pyroclastic deposits. A chemical comparison between clayey raw materials, modern ceramic replicas, and Campanian archaeological ceramics of several typologies (common ware, cooking ware, fine tableware, amphorae, and bricks) from 8th century B.C. to the Middle Ages (a total of 350 ceramic samples) indicates that HCC were extensively used for common wares and that these were either mixed with temper or levigated. In contrast, most of the LCC were used for the production of cookware. We also analyzed the technological potential of the sampled raw materials, taking into consideration their actual and possible uses. We observed that most HCC deposits were well suited for tableware and amphorae, whereas LCC were better for cookware and some fine tableware.
Stratigraphy and Palaeopedology of the Palaeolithic Cave Site of Combe‐Saunière, Southwest France
Authors: Ajas Aurélie , Bertran Pascal , Lemée Laurent , Queffelec Alain
Published: July 2013

The sequence of Combe‐Saunière (southwest France) has been studied with a large suite of methods, including micromorphology, geochemistry, magnetic susceptibility, and organic matter (OM) analysis in order to document the post‐depositional processes that occurred during the last climatic cycle at the cave entrance. This study shows that intense weathering together with the accumulation of OM and phosphates by cave animals and others vectors (including humans) occurred during the phases of low clastic sedimentation. During the latter part of Marine Isotope Stage (MIS) 3, the Aurignacian and Gravettian humus‐bearing levels, which may be classified as cryoturbated leptosols, show incomplete decalcification and are dominated by poorly evolved forms of phosphates (bone fragments, coprolites). Phosphatized cambic B‐horizons formed at the beginning of MIS 3 and the Early Glacial and may reflect longer periods of pedological modification. The molecules identified by the analysis of the OM extracted from the Châtelperronian level derive mostly from the degradation of vegetal matter, most notably from conifers and mosses, in addition to bacteria and fungi. The Last Interglacial s.l. (MIS 5) is typified by the development of a phosphatized illuviated B‐horizon. Intense weathering together with phosphate leaching and precipitation took place in this soil, forming thick apatite–CaOH crusts. Although the poor chronological resolution prevents us from drawing clear conclusions as to the respective roles of the factors involved, phosphate accumulation and weathering seem to be controlled primarily by the duration of the soil‐forming periods. This study strongly suggests that a climatic signal has been recorded in the deposits.
New insights on volcanic and tectonic structures of the southern Tyrrhenian (Italy) from marine and land seismic data
Authors: Monna Stephen , Sgroi Tiziana , Dahm Torsten
Published: July 2013

We present results from the first crustal seismic tomography for the southern Tyrrhenian area, which includes ocean bottom seismometer (OBS) data and a bathymetry correction. This area comprises Mt. Etna, the Aeolian Islands, and many volcanic seamounts, including the Marsili Seamount. The seismicity distribution in the area depends on the complex interaction between tectonics and volcanism. The 3‐D velocity model presented in this study is obtained by the inversion of P wave arrival times from crustal earthquakes. We integrate travel time data recorded by an OBS network (Tyrrhenian Deep Sea Experiment), the SN‐1 seafloor observatory, and the land network. Our model shows a high correlation between the P wave anomaly distribution and seismic and volcanic structures. Two main low‐velocity anomalies underlie the central Aeolian Islands and Mt. Etna. The two volumes, which are related to the well‐known active volcanism, are separated and located at different depths. This finding, in agreement with structural, petrography, and GPS data from literature, confirms the independence of the two systems. The strongest negative anomaly is found below Mt. Etna at the base of the crust, and we associate it with the deep feeding system of the volcano. We infer that most of the seismicity is generated in brittle rock volumes that are affected by the action of hot fluids under high pressure due to the active volcanism in the area. Lateral changes of velocity are related to a transition from the western to the central Aeolian Islands and to the passage from continental crust to the Tyrrhenian oceanic uppermost mantle.
NUMERICAL SIMULATION AND OPTIMIZATION OF MICRO‐IRRIGATION FLOW REGULATORS BASED ON FSI
Authors: Lili Zhangzhong , Peiling Yang , Shumei Ren , Dan Wu
Published: July 2013

The micro‐irrigation flow regulator markedly improved the uniformity of micro‐irrigation systems by adjusting flow with internal elastomers. Meanwhile, the relatively wide flow path and the ability to self‐clean ensure the high anti‐clogging performance of the regulators and reduce clogging risk in the irrigation system. Hence the ability to work under various pressures or poor water supply conditions became the advantage of the micro‐irrigation flow regulator. In this paper, a large eddy simulation (LES) model was established to simulate the fluid–structure interaction (FSI) of micro‐irrigation flow regulators, and its feasibility was proven through a hydraulic performance experiment. The internal flow fields and elastomers were then studied and optimized by adopting this model. The results showed that for the internal elastomer, maximal displacement of the elastic diaphragm occurred in the centre of the circle. When the elastic diaphragm thickness or elastic modulus decreased, the flow regime indexes declined as a whole. Such a decrement indicated performance improvement of the flow regulators. But when both the thickness and elastic modulus of elastic diaphragm reach their minimums (0.3 mm and 3.0 MPa), the diaphragm itself started to oscillate, or drop dramatically in area of flow cross‐section, due to oversized deformation, resulting in deterioration of irrigation uniformity. As for the flow path, its energy dissipation effect was significantly improved by adopting the fractal flow path for optimization.Finally, a new micro‐irrigation flow regulator (tooth tine angle of fractal flow path: 60°, thickness of elastomer: 0.3 mm, elastic modulus of elastomer: 3.5 MPa) was designed, and its flow regime index was reduced to 0.08, representing a good and steady performance in flow regulation. Copyright © 2013 John Wiley & Sons, Ltd.
Oxidative stress increased hepatotoxicity induced by nano‐titanium dioxide in BRL‐3A cells and Sprague–Dawley rats
Authors: Sha Baoyong , Gao Wei , Wang Shuqi , Gou Xingchun , Li Wei , Liang Xuan , Qu Zhiguo , Xu Feng , Lu Tian Jian
Published: July 2013

Extensive studies have shown that titanium dioxide (TiO2) nanomaterials (NMs) can cause toxicity in vitro and in vivo under normal conditions. However, an adverse effect induced by nano‐TiO2 in many diseased conditions, typically characterized by oxidative stress (OS), remains unknown. We investigated the toxicity of nano‐TiO2 in rat liver cells (BRL‐3A) and Sprague–Dawley (SD) rat livers under OS conditions, which were generated using hydrogen peroxide (H2O2) in vitro and alloxan in vivo, respectively. In vitro results showed that cell death ratios after nano‐TiO2 exposure were significantly enhanced (up to 2.62‐fold) in BRL‐3A cells under OS conditions, compared with normal controls. Significant interactions between OS conditions and nano‐TiO2 resulted in the rapid G0/G1 to S phase transition and G2/M arrest, which were opposite to G0/G1 phase arrest in cells after NMs exposure only. In vivo results showed that obvious pathological changes in rat livers and the increased activities of four enzymes (i.e. aspartate aminotransferase, alanine aminotransferase, lactate dehydrogenase and alkaline phosphatase) owing to liver damage after nano‐TiO2 exposure under OS conditions, compared with their healthy controls. In addition, compared with increased hepatotoxicity after nano‐TiO2 exposure, micro‐TiO2 showed no adverse effects to cells and rat livers under OS conditions. Our results suggested that OS conditions synergistically increase nano‐TiO2 induced toxicity in vitro and in vivo, indicating that the evaluation of nanotoxicity under OS conditions is essentially needed prior to various applications of NMs in foods, cosmetics and potential treatment of diseases. Copyright © 2013 John Wiley & Sons, Ltd.
Nanoparticle systems as tools to improve drug delivery and therapeutic efficacy
Authors: Mishra Deepa , Hubenak Justin R. , Mathur Anshu B.
Published: July 2013

Nanoparticle‐based drug delivery systems are appealing because, among other properties, they are easily manufactured and have the capacity to encapsulate a wide variety of drugs, many of which are not directly miscible with water. This review classifies nanoparticles into three broad categories based upon material composition: bio‐inspired systems, synthetic systems, and inorganic systems. Each has distinct properties suitable for drug delivery applications, including their structure, composition, and pharmacokinetics (including clearance and uptake mechanisms), making each uniquely suitable for certain types of drugs. Furthermore, nanoparticles can be customized, making them ideal for a variety of applications. Advantages and disadvantages of the different systems are discussed. Strategies for improving nanoparticle efficacy include adding targeting agents on the nanoparticle surface, altering the degradation profile to control drug release, or PEGylating the surface to increase circulation times and reduce immediate clearance by the kidneys. The future of nanoparticle systems seems to be focused on further improving overall patient outcome by increasing delivery accuracy to the target area. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A: 3646–3660, 2013.