bluuebunny/crossref_metadata_2025 huggingface dataset:
Capacity planning and practicality evaluation of grid‐independent power system based on supply reliability
Authors: Zhou Zhuomin , Ishida Masayoshi , Maeda Tetsuhiko
Published: July 2012

2 This paper presents a methodology for performing capacity planning of a grid‐independent power system, which is mainly composed of PV panels, small wind turbines, fuel cell systems, and batteries. The methodology aims at finding the optimal capacities of these power sources to meet the required system supply reliability, with the lowest value of the levelized cost of energy. As the first step in capacity planning, mathematical models for characterizing PV panels, wind turbines, and batteries are proposed. The second step is to optimize the capacities of the power sources according to the Loss of Power Supply Probability (LPSP) and the Levelized Cost of Energy (LCE) concepts. The configurations which meet the required LPSP with the lowest LCE, give the optimal choices. The surveyed meteorological data and energy demand data of an apartment in Kanto area are used in the capacity planning. © 2012 Wiley Periodicals, Inc. Electr Eng Jpn, 181(2): 1–9, 2012; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/eej.22288
Magnetocaloric Effect in a Mn2‐Pyridazine‐[Nb(CN)8] Molecular Magnetic Sponge
Authors: Fitta Magdalena , Pełka Robert , Bałanda Maria , Czapla Mariusz , Mihalik Marian , Pinkowicz Dawid , Sieklucka Barbara , Wasiutyński Tadeusz , Zentkova Maria
Published: July 2012

A comprehensive study of the magnetocaloric effect (MCE) in the Mn2‐[Nb(CN)8] molecular magnet with a two‐step magnetic sponge behavior is reported. The structural transformations provoked by dehydration bring about an increase in the magnetic ordering temperature (Tc) from 43 K through to 68 K and up to 98 K. All three phases are soft isotropic ferrimagnets. The change in magnetic entropy in the partially and fully dehydrated phases is smaller than that in the “as synthesized” form by a factor of 0.6. The field dependence of MCE at Tc is consistent with the values of the critical exponents derived from the magnetization data.
A Nonenzymatic Hydrogen Peroxide Sensor Based on Silver Nanowires and Chitosan Film
Authors: Gao Xia , Jin Lingyan , Wu Qi , Chen Zhichun , Lin Xianfu
Published: July 2012

A nonenzymatic amperometric electrochemical sensor for the detection of hydrogen peroxide (H2O2) was fabricated based on highly dense silver nanowires (Ag NWs) and chitosan (CS) film. Ag NWs were synthesized by a poly(vinyl pyrrolidone) (PVP)‐mediated polyol process in the presence of manganese chloride (MnCl2), and were characterized by scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDS), and X‐ray diffraction (XRD). Under the optimal conditions, the proposed nonenzymatic sensor exhibited good electrocatalytic activity towards the reduction of H2O2, and could detect H2O2 in the linear range of 0.008–1.35 mM, with a detection limit of 2 µM (S/N=3).
Simultaneous Detection of Copper, Lead and Zinc on Tin Film/Gold Nanoparticles/Gold Microelectrode by Square Wave Stripping Voltammetry
Authors: Wang Jinfen , Bian Chao , Tong Jianhua , Sun Jizhou , Xia Shanhong
Published: July 2012

In this work, three heavy metals (Cu(II), Pb(II) and Zn(II)) in wide potential window were simultaneously detected on tin film/gold nanoparticles/gold microelectrode (Sn/GNPs/gold microelectrode) by the method of square wave stripping voltammetry. The Sn/GNPs/gold microelectrode was fabricated by in situ plating of a Sn film on a gold nanoparticles (GNPs) modified gold microelectrode. The influence of hydrogen overflow on stripping of Zn(II) on the gold microelectrode was reduced by modification of GNPs, which made the stripping potential of target metals shift positively. The interference of sulfhydryl groups was reduced and the selectivity of the microelectrode was improved due to the addition of Sn in the detection solution. After accumulation at −1.4 V for 300 s in acetate buffer solution (0.1 mol L−1, pH 4.5), the Sn/GNPs/gold microelectrode revealed a good linear behavior in the examined concentration ranges from 5 to 500 µg L−1 for Cu(II) and Pb(II), and from 10 to 500 µg L−1 for Zn(II), with a limit of detection of 2 µg L−1 for Cu(II), 3 µg L−1 for Pb(II) and 5 µg L−1 for Zn(II) (S/N=3). When compared with a Sb/GNPs/gold microelectrode and a Bi/GNPs/gold microelectrode, the Sn/GNPs/gold microelectrode showed the best stripping performance to Cu(II), Pb(II) and Zn(II). As a new type of environment‐friendly electrode, the Sn/GNPs/gold microelectrode has potential applications for detection of heavy metals.
Voltammetric Determination of Nifedipine on Carbon Nanotubes‐Modified Glassy Carbon Electrode: A new Application to Dissolution Test Studies
Authors: Jara‐Ulloa P. , Salgado‐Figueroa P. , Yañez C. , Núñez‐Vergara L. J. , Squella J. A.
Published: July 2012

We report the adsorptive voltammetric determination of nifedipine on multiwalled carbon nanotubes (MWCNT)‐modified glassy carbon electrode (GCE). Nifedipine was adsorbed on the MWCNT and then reduced using linear sweep and cyclic voltammetry (LSV and CV). Parameters such as pH and accumulation time were tested. The MWCNT‐modified GCE showed enhanced currents and good signal‐to‐noise characteristics in comparison with the bare GCE. Consecutive measurements with the modified electrode were highly repeatable and reproducible. The MWCNT/GCE was used for the determination of nifedipine and is recommended for quantitation in dissolution test studies. In this study we have tested normal and extended‐release pharmaceutical formulations of nifedipine using USP apparatus 2 and tracking the released drug in solution by the proposed voltammetric method. The main advantage of the voltammetric determination is the feasibility to detect the drug in‐situ avoiding tedious intermediate steps such as filtration, collection and replenishment of sample solutions. This work seeks to demonstrate the feasibility of applying voltammetric techniques in dissolution test studies.
Study of Inhibition, Reactivation and Aging Processes of Pesticides Using Graphene Nanosheets/Gold Nanoparticles‐Based Acetylcholinesterase Biosensor
Authors: Zhang Lin , Long Linjuan , Zhang Weiying , Du Dan , Lin Yuehe
Published: July 2012

Organophosphate (OP) and carbamate pesticides exert their toxicity via attacking the hydroxyl moiety of serine in the ‘active site’ of acetylcholinesterase (AChE). In this paper we developed a stable AChE biosensor based on self‐assembling AChE to graphene nanosheet (GN)‐gold nanoparticles (AuNPs) nanocomposite electrode for investigation of inhibition, reactivation and aging processes of different pesticides. It is confirmed that pesticides can inhibit AChE in a short time. OPs poisoning is treatable with oximes while carbarmates exposure is insensitive to oximes. The proposed electrochemical approach thus provides a new simple tool for comparison of pesticide sensitivity and guide of therapeutic intervention.
Taxonomic notes on the Klasea calcarea group (Asteraceae) from Iran
Authors: Ranjbar Massoud , Negaresh Kazem , Karamian Roya
Published: July 2012

Klasea sanandajensis (Asteraceae) is described and illustrated as a new species from Kurdestan Province, W Iran. It is belonging to Klasea sect. Schumeria, which contains plants have leaves or leaflets usually entire, upper cauline leaves decurrent or amplexicaul, corolla usually yellow, rarely pink, narrow part of corolla tube usually longer than half the total corolla length and apical anther appendages rounded. The new species is closely related to K. calcarea (MOZAFF.) RANJBAR & NEGARESH, but differs from it by its basal leaves (broadly oblanceolate vs. lanceolate‐oblong), phyllaries indumentums (floccose‐tomentose vs. glabrescent) and pappus length (± 13 mm vs. ± 8–9 mm long). Then, Klasea calcarea (MOZAFF.) RANJBAR & NEGARESH is also proposed here. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Variations in the essential oils from ylang‐ylang (Cananga odorata [Lam.] Hook f. & Thomson forma genuina) in the Western Indian Ocean islands
Authors: Benini Céline , Ringuet Mélanie , Wathelet Jean‐Paul , Lognay Georges , du Jardin Patrick , Fauconnier Marie‐Laure
Published: July 2012

Ylang‐ylang essential oil is an important raw material for the fragrance industry. Despite its economic importance, to the best of our knowledge, no study has yet been undertaken to assess the chemical polymorphism of the different production areas. This underestimated variability is an interesting source of raw material for perfumers. That is why the variation in the chemical composition of four fractions of the essential oils extracted from Cananga odorata, grown in four locations Grande Comore, Mayotte, Nossi Bé and Ambanja, was studied. A total of 119 compounds, representing 85.7–96.4% of the total essential oil composition, were identified using gas chromatography–mass spectrometry and quantified by gas chromatography with a flame ionization detector. Thirty‐two compounds previously unreported in ylang‐ylang essential oil were identified. The distinction between the Comoros and Madagascar groups was made on the basis of the chemical classes. It was possible to significantly distinguish the Grande Comore and Mayotte essential oil samples, as well as the Ambanja and Nossi Bé essential oil samples, on the basis of their main compounds. The aromatic compounds profile for the origin of each essential oil fraction was established. Regression trees were built, allowing the provenance of the essential oils prepared at the laboratory level to be easily differentiated on the basis of a limited number of major compounds. Copyright © 2012 John Wiley & Sons, Ltd.
Extraction of volatile flavour compounds from butter oil in a low‐density polyethylene membrane pouch
Authors: Chongcharoenyanon Busarin , Yamashita Nami , Igura Noriyuki , Noma Seiji , Shimoda Mitsuya
Published: July 2012

A low‐density polyethylene membrane pouch method was developed to extract volatile flavour compounds from butter oil prior to gas chromatography–mass spectrometry analysis. The butter oil represented oil‐based sample with complex flavour compounds. It was placed in the pouch and heat‐sealed for extraction in diethyl ether at 40°C for 1 h. The extraction mechanism can be explained by the molecular sieve effect. The extracted volatile flavour compounds are essential for butter oil aroma, e.g. fatty acids and lactones. The percent recoveries of fatty acids and lactones by this method were 1.00–1.74% and 10.1–11.2%, respectively. Sensory evaluation of the aroma recombinate and butter oil indicated the promise of this extraction technique. Copyright © 2012 John Wiley & Sons, Ltd.
Some considerations for high‐order ‘incremental remap’‐based transport schemes: edges, reconstructions, and area integration
Authors: Ullrich Paul Aaron , Lauritzen Peter Hjort , Jablonowski Christiane
Published: July 2012

The problem of two‐dimensional tracer advection on the sphere is extremely important in modeling of geophysical fluids and has been tackled using a variety of approaches. A class of popular approaches for tracer advection include ‘incremental remap’ or cell‐integrated semi‐Lagrangian‐type schemes. These schemes achieve high‐order accuracy without the need for multistage integration in time, are capable of large time steps, and tend to be more efficient than other high‐order transport schemes when applied to a large number of tracers over a single velocity field.

In this paper, the simplified flux‐form implementation of the Conservative Semi‐LAgrangian Multi‐tracer scheme (CSLAM) is reformulated using quadratic curves to approximate the upstream flux volumes and Gaussian quadrature for integrating the edge flux. The high‐order treatment of edge fluxes is motivated because of poor accuracy of the CSLAM scheme in the presence of strong nonlinear shear, such as one might observe in the midlatitudes near an atmospheric jet. Without the quadratic treatment of upstream edges, we observe at most second‐order accuracy under convergence of grid resolution, which is returned to third‐order accuracy under the improved treatment. A shallow‐water barotropic instability also reveals clear evidence of grid imprinting without the quadratic correction. Consequently, these tests reveal a problem that might arise in tracer transport near nonlinearly sheared regions of the real atmosphere, particularly near cubed‐sphere panel edges. Although CSLAM is used as the foundation for this analysis, the conclusions of this paper are applicable to the general class of incremental remap schemes. Copyright © 2012 John Wiley & Sons, Ltd.
Direct Genetic Effects and Their Estimation From Matched Case‐Control Data
Authors: Berzuini Carlo , Vansteelandt Stijn , Foco Luisa , Pastorino Roberta , Bernardinelli Luisa
Published: July 2012

In genetic association studies, a single marker is often associated with multiple, correlated phenotypes (e.g., obesity and cardiovascular disease, or nicotine dependence and lung cancer). A pervasive question is then whether that marker exerts independent effects on all phenotypes. In this paper, we address this question by assessing whether there is a genetic effect on one phenotype that isnotmediated through the other ones, so calleddirectgenetic effect. Answering such question may represent an important step in the elucidation of the underlying biological mechanism. Under rather restrictive conditions, such direct genetic effects are known to be estimable by standard regression methods. Under more lenient conditions, in a prospective or unmatched case‐control study, these effects can be estimated by using a previously proposedG‐estimation method (Vansteelandt [2009] Epidemiology 20, 851–860). The present paper extends this method tomatchedcase‐control studies, and investigates the conditions under which this extension is valid. We illustrate the method on data from a matched case‐control study, which we use to elucidate the pathway implications of a detected association between myocardial infarction and a genetic locus in the chromosomal region of the FTO gene.
A global measure to assess switching antipsychotic medications in the treatment of schizophrenia
Authors: Targum Steven D , Pestreich Linda , Reksoprodjo Petra , Pereira Heidi , Guindon Carrie , Hochfeld Marla
Published: July 2012

Objectives

It is common practice to switch antipsychotic medications in the treatment of patients with schizophrenia to enhance clinical efficacy and/or reduce drug‐related side effects. The conventional Clinical Global Impression (CGI) of severity scale is a well‐understood measure to track switching effects but does not differentiate between the severity of clinical symptoms and the impact of side effects..

Methods

We developed a CGI‐switch instrument that contains distinct global severity scales for clinical efficacy, safety and/or tolerability, and a third unified (integrated) CGI severity score to assess these interrelated assessments. An integrated Clinical Global Impression of Change was also created to assess global clinical change relative to the initiation of treatment.

Results

Interrater reliability conducted as part of a rater‐training program for a clinical study (Novartis protocol CIL0522D; clinitrials.gov identifier: CT01207414) revealed high interrater agreement (Cronbach's alpha = 0.945). Data were collected from 1066 CGI assessments during the course of the trial. CGI raters easily grasped the utility of the instrument. The distinction made between efficacy and safety/tolerability facilitated serial tracking of each condition during the course of treatment.

Conclusion

The modified CGI‐switch instrument is a simple, reliable, and practical metric to assess the benefits, if any of switching antipsychotic medications in patients with schizophrenia. Copyright © 2012 John Wiley & Sons, Ltd.
Disc‐electrospun cellulose acetate butyrate nanofibers show enhanced cellular growth performances
Authors: Huang Chen , Niu Haitao , Wu Chunchen , Ke Qinfei , Mo Xiumei , Lin Tong
Published: July 2012

Cellulose acetate butyrate nanofibers were prepared separately by two electrospinning techniques; a needleless electrospinning using a disc as spinneret and a rotary drum as collector and a conventional needle electrospinning using a rotary drum as collector. Compared to the needle‐electrospun nanofibers, the disc‐electrospun nanofibers were coarser with a wider diameter distribution. Both fibers had a similar surface morphology and they showed no difference in chemical components, but the disc‐electrospun nanofibers were slightly higher in crystallinity. The productivity of disc electrospinning was 150 times larger than that of needle electrospinning. The disc‐electrospun nanofiber mats were found to have a three dimensional fibrous structure with an average pore size of 9.1 μm, while the needle‐electrospun nanofibers looked more like a two‐dimensional sheet with a much smaller average pore size (3.2 μm). Fibroblasts and Schwann cells were cultured on the fibrous matrices to assess the biocompatibility. The disc‐electrospun nanofiber webs showed enhanced cellular growth for both fibroblasts and Schwann cells, especially in a long culture period. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A:115–122, 2013.
Preimplantation processing of ex vivo‐derived vascular biomaterials: Effects on peripheral cell adhesion
Authors: Uzarski Joseph S. , Van De Walle Aurore B. , McFetridge Peter S.
Published: July 2012

The use of ex vivo‐derived scaffolds as vascular conduits has shown to be a clinically valid approach to repair or bypass occluded vessels. Implantation of allogeneic tissue grafts requires careful processing to lower immunogenicity and prevent bacterial infection. However, the mechanical/chemical treatments used to prepare biological scaffolds can result in significant alterations to the native structure and surface chemistry, which can affect in vivo performance. Of particular importance for vascular grafts are binding interactions between the implanted biomaterial and host cells from the circulation and adjacent vasculature. Here we present a comparison of four strategies used to decellularize allogeneic human umbilical vein (HUV) scaffolds: ethanol/acetone, sodium chloride, sodium dodecyl sulfate (SDS), or Triton X‐100. Scanning electron microscopy revealed that all four techniques achieved removal of native cells from both the lumenal and ablumenal surfaces of HUV grafts. Platelets and promyelocytic HL‐60 cells showed preferential binding on the more loosely structured ablumenal surface, although low surface coverage was observed overall by peripheral blood cells. Vascular endothelial cell adhesion was highest on HUV decellularized using ethanol/acetone, and significantly higher than on SDS‐processed grafts (p = 0.016). Primary cells showed high viability on the lumenal surface regardless of decellularization technique (over 95% in all cases). These results demonstrate the critical effects of various chemical processing strategies on the adhesive properties of ex vivo‐derived vascular grafts. Careful application‐specific consideration is warranted when selecting a processing strategy that minimizes innate responses (e.g. thrombosis, inflammation) that are often deleterious to graft survival. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A:123–131, 2013.
Effects of locally administered insulin on bone formation in non‐diabetic rats
Authors: Malekzadeh B. , Tengvall P. , Öhrnell L.‐O. , Wennerberg A. , Westerlund A.
Published: July 2012

The possibility to control bone formation would be favorable in many areas of medicine, where bone defects is still a major challenge. Insulin has been suggested to exert both systemic and local anabolic effects in bone tissues. This raised the question whether locally administrated insulin could provide new therapeutic strategies for patients with local bone defects and impaired bone healing. The aim of this study was to evaluate bone formation in non‐diabetic rats when local insulin is administered. This study differs from previous reports in two aspects: the use of non‐diabetic animals and locally administered insulin. Twenty‐four implants were inserted into 12 rats—one insulin‐coated and one control—in each tibia for four weeks. Interferometry and histomorphometry were used to evaluate the surface topography and bone formation, respectively. Results demonstrated no significant changes in surface topography after insulin immobilization. Histomorphometry revealed significantly more bone around the insulin‐coated implants (BA) (p = 0.005) and a similar amount of bone at the implant surface (BIC) (p = 0.117) compared with the controls. It was concluded that locally administered insulin from a titanium implant surface has the potential to increase bone formation not only in diabetic subjects but also in non‐diabetic subjects. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A:132–137, 2013.
Madecassoside, a triterpenoid saponin isolated from Centella asiatica herbs, protects endothelial cells against oxidative stress
Authors: Bian Difei , Liu Mei , Li Ying , Xia Yufeng , Gong Zhunan , Dai Yue
Published: July 2012

This study aimed to investigate the effect of madecassoside against oxidative stress‐induced injury of endothelial cells. Hydrogen peroxide (H2O2, 500 µmol/L) was employed as an inducer of oxidative stress in human umbilical vein endothelial cells (HUVECs). Cell apoptosis was detected by Hoechst 33258 staining and flow cytometry. Caspase‐3 activity and mitochondria membrane potential were further examined. As a result, madecassoside (10, 30, 100 µmol/L) could reverse morphological changes, elevate cell viability, increase glutathione levels, and decrease lactate dehydrogenase and malondialdehyde levels caused by H2O2 in a concentration‐dependent manner. It attenuated apoptosis, preventing the activation of caspase‐3 and the loss of mitochondria membrane potential, as well as the phosphorylation of p38 mitogen‐activated protein kinase (MAPK) in HUVECs. These data suggested that madecassoside could protect HUVECs from oxidative injury, which was probably achieved by inhibiting cell apoptosis via protection of mitochondria membranes and downregulation of the activation of caspase‐3 and p38 MAPK. © 2012 Wiley Periodicals, Inc. J Biochem Mol Toxicol 26:399–406, 2012; View this article online at wileyonlinelibrary.com. DOI 10.1002/jbt.21434
Probing the electronic structure, chemical bonding, and excitation spectra of [CuE]+/0/− (E = 14 group element) diatomics employing DFT and ab initio methods
Authors: Tsipis Athanassios C. , Gkarmpounis Dimitrios N.
Published: July 2012

The electronic structure, chemical bonding, and excitation spectra of neutral, cationic, and anionic diatomic molecules of Cu and 14 group elements formulated as [CuE]+/0/− (E = C, Si, Ge, Sn, Pb) were investigated by density functional theory (DFT) and time‐dependent (TD)‐DFT methods. The electronic and bonding properties of the diatomics analyzed by natural bond orbital (NBO) analysis approch revealed a clear picture of the chemical bonding in these species. The spatial organization of the bonding between Cu and E atoms in the [CuE]+/0/− (E = Si, Ge, Sn, Pb) molecules can easily be recognized by the cut‐plane electron localization function representations. Particular emphasis was given on the absorption spectra of the [CuE]+/0/− which were simulated using the results of TD‐DFT calculations employing the hybrid Coulomb‐attenuating CAM‐B3LYP functional. The absorption bands have thoroughly been analyzed and assignments of the contributing principal electronic transitions associated to individual excitations have been made. © 2012 Wiley Periodicals, Inc.
Toughness and Vertex Degrees
Authors: Bauer D. , Broersma H. J. , van den Heuvel J. , Kahl N. , Schmeichel E.
Published: July 2012

We study theorems giving sufficient conditions on the vertex degrees of a graph G to guarantee G is t‐tough. We first give a best monotone theorem when , but then show that for any integer , a best monotone theorem for requires at least nonredundant conditions, where grows superpolynomially as . When , we give an additional, simple theorem for G to be t‐tough, in terms of its vertex degrees.
Comparative survival and recovery of Ross's and lesser snow geese from Canada's central arctic
Authors: Traylor Joshua J. , Alisauskas Ray T. , Slattery Stuart M. , Drake Kiel L.
Published: July 2012

Large increases in several populations of North American arctic geese have resulted in ecosystem‐level effects from associated herbivory. Consequently, some breeding populations have shown density dependence in recruitment through declines in food availability. Differences in population trajectories of lesser snow geese (Chen caerulescens caerulescens; hereafter snow geese) and Ross's geese (C. rossii) breeding in mixed‐species colonies south of Queen Maud Gulf (QMG), in Canada's central arctic, suggest that density dependence may be limiting snow goose populations. Specifically, long‐term declines in age ratios (immature:adult) of harvested snow geese may have resulted from declines in juvenile survival. Thus, we focused on juvenile (first‐year) survival of snow and Ross's geese in relation to timing of reproduction (annual mean nest initiation date) and late summer weather. We banded Ross's and snow geese from 1991 to 2008 in the QMG Migratory Bird Sanctuary. We used age‐structured mark‐recapture models to estimate annual survival rates for adults and juveniles from recoveries of dead birds. Consistent with life history differences, juvenile snow geese survived at rates higher than juvenile Ross's geese. Juvenile survival of both species also was lower in late seasons, but was unrelated to arctic weather measured during a 17‐day period after banding. We found no evidence of density dependence (i.e., a decline in juvenile survival over time) in either species. We also found no interspecific differences in age‐specific hunting vulnerability, though juveniles were more vulnerable than adults in both species, as expected. Thus, interspecific differences in survival were unrelated to harvest. Lower survival of juvenile Ross's geese may result from natural migration mortality related to smaller body size (e.g., greater susceptibility to inclement weather or predation) compared to juvenile snow geese. Despite lower first‐year survival, recruitment by Ross's geese may still be greater than that by snow geese because of earlier sexual maturity, greater breeding propensity, and higher nest success by Ross's geese. © 2012 The Wildlife Society.
Fragmentation of toxicologically relevant drugs in negative‐ion liquid chromatography–tandem mass spectrometry
Authors: Niessen W.M.A.
Published: July 2012

Negative‐ion LC–MS analysis of drugs is applied far less frequently than positive‐ion LC–MS. Data on the interpretation of negative‐ion MS–MS spectra are even more scarce. Therefore, following the recent review on the class‐specific fragmentation of toxicologically relevant compounds in positive‐ion MS–MS, it was decided to perform a similar study in negative‐ion MS–MS. To this end, a set of over 500 negative‐ion MS–MS spectra was collected from three libraries applied in toxicological general unknown screening and systematic toxicological analysis. The compounds involved were classified by chemical and therapeutic class. The MS–MS spectra were manually interpreted and relevant interpretation data were searched for in the scientific literature. The emphasis in the discussion is on class‐specific fragmentation, because discussing fragmentation of all individual compounds would take far too much space. Negative‐ion MS–MS fragmentation is discussed for a wide variety of toxicologically relevant compounds, including dihydropyridine calcium channel blockers, diuretics, barbiturates, anti‐inflammatory drugs, anti‐diabetics, sulfonamide and betalactam antibiotics, and a number of classes of pesticides. © 2012 Wiley Periodicals, Inc. Mass Spec Rev 31:626–665, 2012
Modeling of Low Concentrations of Reactive Species in Kinetic Monte Carlo Simulations
Authors: Szymanski Ryszard , Sosnowski Stanislaw
Published: July 2012

A new method for determination of contributions of species present in low concentration in kinetic Monte Carlo (MC) simulations of chemical processes is proposed. It allows, for instance, to calculate of exact concentrations when species being of interest appear in MC experiments only for short time intervals. The method is based on monitoring of the cumulative life‐time of the investigated species under consideration as a function of the reaction time and subsequent differentiation of the resulting curve. It is especially useful for determination of distributions of low‐concentration active propagation species in radical polymerizations, both free and controlled ones. The method enables to reduce significantly a simulation scale required for determination of the concentrations of investigated species.

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Controlling Polyolefin Properties by In‐Reactor Blending, 1–Polymerization Process, Precise Kinetics, and Molecular Properties of UHMW‐PE Polymers
Authors: Ruff Martin , Paulik Christian
Published: July 2012

A multipurpose reactor setup for catalytic slurry ethylene polymerization is presented. With the developed multi‐stage polymerization (MSP) method the production of polyolefin in‐reactor blends is accessible. Precisely controlled polymerizations are executed at isothermal, isobaric, and isoperibolic steady state conditions in a dynamic power compensated reactor. The described system realizes fast (<10 s) and constant temperature control (±0.1 K), applying electrical heat compensation in combination with mass flow technique. Single‐ and MSP with a highly active ZN‐catalyst are applied to produce uni‐ and bimodal polyethylenes with controlled fractions of molecular weight (UHMW and medium‐MW PE). Polymerization kinetics and molecular weights (IV, GPC) are presented.

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Stability of earth slopes. Part I: two‐dimensional analysis in closed‐form
Authors: Pantelidis Lysandros , Griffiths D. V.
Published: July 2012

A closed‐form solution (CFS) satisfying both equilibrium of moments and forces for the stability analysis of earth slopes in 2D is proposed. The sliding surface is assumed circular and treated as a rigid body, allowing the internal state of stress to be ignored. The proposed solution can be applied to both homogenous and non‐homogenous slopes of either simple or complex geometry, and can also deal with any kind of additional loading. The method is based on the fact that, all possible forces acting on the slope can be projected onto the failure surface where they are broken into driving and resisting ones. Comparison of the safety factors obtained by the proposed CFS and those obtained by traditional limit equilibrium methods, as applied to several test examples, indicates that the proposed method is more conservative, whereas moreover, it gives a more realistic point of view for the formation of tension crack in slopes. Copyright © 2012 John Wiley & Sons, Ltd.
Palaeolithic Human Subsistence in Mount Carmel (Israel). A Taphonomic Assessment of Middle and Early Upper Palaeolithic Faunal Remains from Tabun, Skhul and el‐Wad
Authors: Marín‐Arroyo A. B.
Published: July 2012

Detailed archaeozoological studies of Middle and Early Upper Palaeolithic (250–40 kya) faunal assemblages from Tabun, Skhul and el‐Wad caves, located in Mount Carmel (Israel), are presented here, expanding on the previous palaeontological analyses carried out by Garrod and Bate in the 1930´s and by Garrard five decades later. Despite the well‐known excavation bias of the older excavations, this study makes greater use of modern taphonomic techniques and statistical procedures, providing new palaeoeconomic insights into the subsistence behaviour of modern humans, Neanderthals and their predecessors in the Levant. The results show that anatomically modern humans (AMH) were more efficient at hunting and foraging in terms of human mobility as well as an incipient prey specialisation. In addition, different uses of the Tabun cave through time have been identified. Tabun B, initially considered as a palaeontological accumulation, was also occasionally accessed by Neanderthals in order to exploit naturally trapped ungulates, and there were sporadic and logistic occupations in Tabun D, one of the oldest Middle Palaeolithic assemblages in the area. Contrastingly, Tabun C showed a comparatively more residential use, which coincided with the new mobility capabilities of AMH. Whereas the intensity of human occupation at el‐Wad varied through time, levels G and F showed very brief occupations in comparison with levels D and E, which showed abundant evidence of human activity. Copyright © 2011 John Wiley & Sons, Ltd.
Reactive extrusion of intumescent stereocomplexed poly‐L,D‐lactide: characterization and reaction to fire
Authors: Gallos Antoine , Fontaine Gaëlle , Bourbigot Serge
Published: July 2012

This paper reports works conducted on intumescent stereocomplexed polylactide synthesized for the first time by reactive extrusion. This reactive extrusion process is an innovative, efficient and ecofriendly way to product polylactides. This stereocomplexed polylactide results from the two‐step polymerization of L‐lactide and D‐lactide to yield poly‐L,D‐lactide multiblocks. Our reactive extrusion process permits to make polylactide matrix able to form stereocomplex crystallinity and to incorporate flame‐retardant additives during synthesis at the same time. This material can be molded keeping its stereocomplex crystallinity. The flame retardants which are a combination of ammonium polyphosphate, melamine and organoclay provide an intumescent behavior upon heating to the stereocomplex, and the flame‐retarded material exhibits very low flammability (peak of heat release rate is decreased by 83% and total heat released is decreased by 95% during cone calorimetry experiment). Copyright © 2012 John Wiley & Sons, Ltd.
Phytochemical Characterisation of Green Beans (Phaseolus vulgaris L.) by Using High‐performance Liquid Chromatography Coupled with Time‐of‐flight Mass Spectrometry
Authors: Abu‐Reidah Ibrahim M. , Arráez‐Román David , Lozano‐Sánchez Jesús , Segura‐Carretero Antonio , Fernández‐Gutiérrez Alberto
Published: July 2012

Introduction

Although green beans (Phaseolus vulgaris L.) constitute a major agro‐industrial crop worldwide and involve many bean varieties, the phytochemical composition and how this fluctuates among varieties is not well known.

Objective

The purpose of this work was to conduct a comprehensive characterisation of the phytochemical compounds found in three varieties of green bean.

Methodology

Hydromethanol extracts from green beans were analysed by high‐performance liquid chromatography (HPLC) coupled with electrospray time‐of‐flight mass spectrometry (ESI–TOF–MS) in order to characterise phytochemical compounds from different varieties of P. vulgaris L. The compounds were characterised based on interpreting their mass spectrum provided by the TOF–MS as well as by comparison with information from the literature (some compounds have been described previously in Fabaceae).

Results

In this work, 72 phytochemical compounds were tentatively characterised by HPLC–ESI–TOF–MS. These compounds were classified as, 10 phenolic acids, 59 flavonoids, two lignans and an iridoid. Notably, out of the 72 compounds, 54 are new and their isomers have been characterised for the first time in green beans.

Conclusion

The phytochemical composition of three different varieties of P. vulgaris L have been characterised using HPLC‐ESI‐TOF‐MS. A total of 72 phytochemical compounds were characterised, 54 being reported in green beans for the first time. Among these were the main flavonoids detected. These results highlight the influence that variety can exert on the quality of phytochemicals. Given that new phytochemical compounds have been characterised, this study offers a useful approach for improving and updating the food‐composition tables. Copyright © 2012 John Wiley & Sons, Ltd.
Use of psychotropic drugs, systemic antihistamines and medications for cough in 6‐year‐old children: a survey in the Bas‐Rhin Region, France
Authors: Binder‐Foucard Florence , Reitzer Catherine , Jégu Jérémie , Schweitzer Brigitte , Koehl Fabienne , Kopferschmitt Jacques , Velten Michel
Published: July 2012

Purpose

The use of drugs in France is among the highest in developed countries. Among them, psychotropic medication in children has always been a matter of concern. Furthermore, on the basis of concerns about safety and efficacy, international authorities have either advised against the use of cough and cold medication or considered such an action. This survey aims to assess the prevalence of use of psychotropic drugs, antihistamines and medications for cough as well as parents' knowledge about the drugs used in 2009.

Methods

The study is based on a representative sample of 6‐year‐old children who were in kindergarten in 2009. School physicians asked their parents to answer a standardized questionnaire. Data were collected about the child, his or her family, and the consumption of psychotropic drugs, antihistamines, and medications for cough in the past 12 months. The Anatomical Therapeutic Chemical (ATC) classification system was used to classify the drugs used.

Results

The data from 5707 children were analyzed. The proportion of children who consumed at least one psychotropic drug was 0.68% (ATC code N). Antihistamines for systemic use were by far the most frequently consumed drugs (ATC code R06), with a prevalence of 17.54%. The great majority of antihistamines for systemic use were meant to treat cough, not insomnia or agitation.

Conclusion

The use of psychotropic drugs was low in 2009 in the French region of Bas‐Rhin. The promotion of alternatives to antihistamines for systemic use to treat cough should nevertheless be strengthened. Copyright © 2012 John Wiley & Sons, Ltd.
How hydrogen‐bonded MnO4‐can influence oxidation of olefins in both gas phase and solution?
Authors: Javan Marjan Jebeli , Tehrani Zahra Aliakbar , Fattahi Alireza , Hashemi Mohammad Mahmoodi
Published: July 2012

The reaction pathway (including the transition state) of ethylene addition to permanganate (MnO4‐) in the presence of ethylene glycol (EG) has been qualitatively and quantitatively studied by means of B3LYP/6‐311++G** theoretical analysis. Interestingly, by cluster formation of the EG with permanganate, oxidation reaction becomes thermodynamically and kinetically more favorable. The influences of electron‐withdrawing as well as electron‐donating substituents were also explored.

Results of the quantum theory of atoms in molecules and natural bond orbital analyses revealed that [3 + 2] addition reaction of alkenes in the presence of EG as hydrogen bonding donor to MnO4‐becomes more exothermic. Natural resonance theory (NRT) is used to calculate natural bond order and bond polarity. The NRT result indicates that the polarity of Mn–O bond is affected by EG coordinated to MnO4‐. Moreover, the conceptual DFT descriptors such as chemical potential (μ), hardness (η) and electrophilicity index (ω) show that hydrogen bonding to permanganate can affect the addition of MnO4‐to double bond in a satisfactory way. We also carried out geometrical optimizations with the polarizable continuum model to account for the solvent effect, and the results were compared with those in the gas phase. Copyright © 2012 John Wiley & Sons, Ltd.
Individual and family characteristics associated with BRCA1/2 genetic testing in high‐risk families
Authors: Katapodi Maria C. , Northouse Laurel L. , Milliron Kara J. , Liu Guipeng , Merajver Sofia D.
Published: July 2012

Background

Little is known about family members' interrelated decisions to seek genetic testing for breast cancer susceptibility.

Methods

The specific aims of this cross‐sectional, descriptive, cohort study were (i) to examine whether individual and family characteristics have a direct effect on women's decisions to use genetic testing for hereditary susceptibility to breast cancer and (ii) to explore whether family characteristics moderate the relationships between individual characteristics and the decision to use genetic testing. Participants were women (>18 years old) who (i) received genetic testing for hereditary breast cancer and who agreed to invite one of their female relatives into the study and (ii) female relatives who had NOT obtained genetic testing and were identified by pedigree analysis as having >10% chances of hereditary susceptibility to breast cancer.

Results

The final sample consisted of 168 English‐speaking, family dyads who completed self‐administered, mailed surveys with validated instruments. Multivariate conditional logistic regression analyses showed that the proposed model explained 62% of the variance in genetic testing. The factors most significantly associated with genetic testing were having a personal history of cancer; perceiving genetic testing to have more benefits than barriers; having greater family hardiness; and perceiving fewer negative consequences associated with a breast cancer diagnosis. No significant interaction effects were observed.

Conclusions

Findings suggest that both individual and family characteristics are associated with the decision to obtain genetic testing for hereditary breast cancer; hence, there is a need for interventions that foster a supportive family environment for patients and their high‐risk relatives. Copyright © 2012 John Wiley & Sons, Ltd.
Cognitive influences as mediators of family and peer support for pediatric cancer survivors' physical activity
Authors: Gilliam Margaux B. , Madan‐Swain Avi , Whelan Kimberly , Tucker Diane C. , Demark‐Wahnefried Wendy , Schwebel David C.
Published: July 2012

Objective

The objective of this study was to determine the extent to which self‐efficacy mediates the relations between social support and childhood cancer survivors' physical activity (PA).

Methods

A structured telephone survey was conducted with 105 childhood cancer survivors aged 8–16 years. Participants completed measures assessing their PA as well as proposed predictors of PA including various demographic, medical, cognitive, and social influences. Multiple mediation analyses were utilized to evaluate the relations between social support, cognitive influences, and survivor PA.

Results

Cognitive influences, including perceived benefits, barriers, and self‐efficacy for PA, partially mediated the influence of family and peer support on survivor PA. Self‐efficacy emerged as a significant unique mediator, indicating that higher levels of family and peer support are associated with higher levels of survivor PA via increases in survivor self‐efficacy.

Conclusions

Social support has both direct and indirect influences on survivor PA. Indirectly, social support influences PA via survivor self‐efficacy. Interventions should target family and peer support as well as self‐efficacy to increase survivor PA. Copyright © 2012 John Wiley & Sons, Ltd.
Helium/H2O2 Atmospheric Pressure Plasma‐Assisted Electrosurgery
Authors: Choi Myeong Yeol , Koo Il Gyo , Kim Paul Y. , Kang Sung Kil , Kim Yoon‐Sun , Jung Jae‐Chul , Collins George J.
Published: July 2012

Electrosurgery (ES) is widely used by surgeons to dissect tissue and control bleeding. Electrosurgical devices achieve these effects through resistive heating of tissue that vaporizes cellular fluid to rupture cells and denatures proteins to produce a hemostatic coagulum. In this paper, the powered electrode of a 13.56 MHz atmospheric pressure plasma jet was employed in contact with tissue samples to vaporize or ablate tissue. In effect, monopolar ES was combined with plasma. We report both significantly higher tissue removal rate and lower electrical current flow through the tissue sample with plasma‐assisted ablation compared to conventional electrosurgical ablation at the same generator output power.

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Engineers need RUDENESS: An extension of trevor Kletz's approach to accident investigations
Authors: Ferjencik Milos
Published: July 2012

Trevor Kletz belongs to the pioneers in root cause analysis of accidents. This article summarizes Kletz's approach to accident investigations, and it points out that his approach has some gaps that sometimes need to be addressed. These gaps seem to be related to certain assumptions taken for granted by Kletz but not always fulfilled in the real world. In general, Kletz assumes that professionals and leaders are honest and responsible. In fact, Kletz deliberately strives to avoid “blaming.” Therefore, Kletz gives no guidance of what to do when leaders' negligence contributes to an accident.

This article expands the Kletz approach to include this aspect of process safety. Two acronyms are used to describe the difference between the Kletzian (more ideal) and non‐Kletzian world. The engineering approach that follows Mr. Kletz's vision is depicted by the word RUDE, where R is for Reliable equipment—the need for engineers to provide R; U is for Understanding it—the need for engineers to understand the properties, hazards, and correct use of equipment; D is for Disciplined personnel—the need for leadership to select and support D, E is for Empathy—the need for leaders to recognize the deficiencies and incompetence of their employees.

An expanded approach is depicted by the word RUDENESS, where NE is for Navigators in Ethics—the need for the leaders of society to act as role models and stress ethic fundamentals of process safety, and SS is for a Safety‐demanding Society—the need for both government and the governed to place a high priority on safety performance with appropriate laws and standards. © 2012 American Institute of Chemical Engineers Process Saf Prog, 2012
WAMbot: Team MAGICian's entry to the Multi Autonomous Ground‐robotic International Challenge 2010
Authors: Boeing Adrian , Boulton Mark , Bräunl Thomas , Frisch Brian , Lopes Sam , Morgan Aidan , Ophelders Frank , Pangeni Sushil , Reid Robert , Vinsen Kevin , Garel Nicolas , Lee Chang Su , Masek Martin , Attwood Anthony , Fazio Michael , Gandossi Adam
Published: July 2012

This article describes “WAMbot,'' an autonomous unmanned ground vehicle and the Team MAGICian solution to the 2010 Multi Autonomous Ground‐robotic International Challenge (MAGIC). The system architecture, hardware, sensing, planning, navigation, mapping systems, and user interface were specifically designed to address the demands of the large‐scale distributed reconnaissance and surveillance task presented in the challenge. The resulting system was selected as a finalist and ultimately placed 4th in MAGIC 2010. © 2012 Wiley Periodicals, Inc.
Multiple tests of cost‐effectiveness angles
Authors: Gutjahr G. , Brannath W.
Published: July 2012

Cost‐effectiveness angles are an attractive measure of performance when comparing effects and costs of health‐care therapies because they have a clear interpretation and are well suited for statistical inference. In clinical trials, a common setup is the comparison of multiple new therapies with a single control. If cost‐effectiveness angles are calculated for each comparison, multiplicity issues should be taken into account when quantifying uncertainty of the point estimates.

Therefore, this paper proposes a parametric test for multiple cost‐effectiveness angles that guarantees strong family‐wise error rate control. The idea is to replace the test ofmcost‐effectiveness angles as a union‐intersection test of3mlinear hypotheses. Considering the correlation structure of the individual test statistics for the linear hypotheses leads to a maximum‐type test for the intersection hypothesis. Inverting these test decisions then gives simultaneous CIs of cost‐effectiveness angles with the appropriate coverage probabilities. Copyright © 2012 John Wiley & Sons, Ltd.