bluuebunny/crossref_metadata_2025_split huggingface dataset:
Biomimetic Synthesis of (+)‐Ledene, (+)‐Viridiflorol, (−)‐Palustrol, (+)‐Spathulenol, and Psiguadial A, C, and D via the Platform Terpene (+)‐Bicyclogermacrene
Authors: Tran Duc N. , Cramer Nicolai 
Published: May 2014

Abstract(+)‐Bicyclogermacrene is a strained bicyclic and common sesquiterpene found in several essential oils. A short and good yielding synthesis of bicyclogermacrene proceeding in seven steps is reported. This terpene is used as key platform intermediate for a biomimetic access to several aromadendrene sesquiterpenoids, such as ledene, viridiflorol, palestrol, and spathulenol. Furthermore, bicyclogermacrene is shown to be the terpene component in the synthesis of the meroterpenoids psiguadial A, C, and D.
The relationship between area poverty rate and site‐specific cancer incidence in the United States
Authors: Boscoe Francis P. , Johnson Christopher J. , Sherman Recinda L. , Stinchcomb David G. , Lin Ge , Henry Kevin A. 
Published: May 2014

BACKGROUNDThe relationship between socioeconomic status and cancer incidence in the United States has not traditionally been a focus of population‐based cancer surveillance systems.METHODSNearly 3 million tumors diagnosed between 2005 and 2009 from 16 states plus Los Angeles were assigned into 1 of 4 groupings based on the poverty rate of the residential census tract at time of diagnosis. The sex‐specific risk ratio of the highest‐to‐lowest poverty category was measured using Poisson regression, adjusting for age and race, for 39 cancer sites.RESULTSFor all sites combined, there was a negligible association between cancer incidence and poverty; however, 32 of 39 cancer sites showed a significant association with poverty (14 positively associated and 18 negatively associated). Nineteen of these sites had monotonic increases or decreases in risk across all 4 poverty categories. The sites most strongly associated with higher poverty were Kaposi sarcoma, larynx, cervix, penis, and liver; those most strongly associated with lower poverty were melanoma, thyroid, other nonepithelial skin, and testis. Sites associated with higher poverty had lower incidence and higher mortality than those associated with lower poverty.CONCLUSIONSThese findings demonstrate the importance and relevance of including a measure of socioeconomic status in national cancer surveillance. Cancer 2014;120:2191–2198. © 2014 The Authors. Cancer published by Wiley Periodicals, Inc. on behalf of American Cancer Society.
A novel pilot job approach for improving the execution of distributed codes: application to the study of ordering in collisional transport in fusion plasmas
Authors: Rubio‐Montero A.J. , Castejón F. , Huedo E. , Mayo‐García R. 
Published: May 2014

SummaryThere are many applications in every scientific and engineering fields that have high computational requirements. They have to be adapted to either high‐performance computing or high‐throughput computing platforms, depending on their characteristics. For the latter case, the high volume of resources available in grid infrastructures should allow for a reduction of their calculation times and an increase of the accuracy of the results. Nevertheless, the low performance achieved by early‐binding methods is noticeable, and the current systems based on pilot jobs are not suitable for running legacy applications. Therefore, running a wide range of codes quickly and easily can be infeasible for many users and developers. For this reason, it would be of great advantage to count on pilot job techniques that truly exploit grid resources in an efficient way while maintaining compatibility with legacy applications. In this work, GWpilot is presented as a complete pilot job framework that overcomes the adaptability limitations of other pilot job systems to tackle the challenge of efficiently accomplishing high‐throughput calculations. To test the GWpilot system, two applications widely used for studying the properties of collisional transport in fusion plasmas (drift kinetic equation solver code and integrator of stochastic differential equations in plasmas) have been chosen as a proof of concept. Real calculations were performed with them to illustrate the adaptation process to the new framework and its performance. Additionally, the physics results obtained were analysed for completeness and further reading. Both applications also represent two different approaches further extended in the scientific community, that is, parameter sweep and Monte Carlo codes. Therefore, the general suitability of GWpilot for scientific and industrial applications belonging to other fields is demonstrated in this work. Copyright © 2014 John Wiley & Sons, Ltd.
Polar Surface Energies of Iono‐Covalent Materials: Implications of a Charge‐Transfer Model Tested on Li2FeSiO4 Surfaces
Authors: Hörmann Nicolas G. , Groß Axel 
Published: May 2014

AbstractThe ionic compounds that are used as electrode materials in Li‐based rechargeable batteries can exhibit polar surfaces that in general have high surface energies. We derive an analytical estimate for the surface energy of such polar surfaces assuming charge redistribution as a polarity compensating mechanism. The polar contribution to the converged surface energy is found to be proportional to the bandgap multiplied by the surface charge necessary to compensate for the depolarization field, and some higher order correction terms that depend on the specific surface. Other features, such as convergence behavior, coincide with published results. General conclusions are drawn on how to perform polar surface energy calculations in a slab configuration and upper boundaries of “purely” polar surface energies are estimated. Furthermore, we compare these findings with results obtained in a density functional theory study of Li2FeSiO4 surfaces. We show that typical polar features are observed and provide a decomposition of surface energies into polar and local bond‐cutting contributions for 29 different surfaces. We show that the model is able to explain subtle differences of GGA and GGA+U surface energy calculations.
Resting frontal EEG asymmetry in children: Meta‐analyses of the effects of psychosocial risk factors and associations with internalizing and externalizing behavior
Authors: Peltola Mikko J. , Bakermans‐Kranenburg Marian J. , Alink Lenneke R. A. , Huffmeijer Renske , Biro Szilvia , van IJzendoorn Marinus H. 
Published: May 2014

ABSTRACTAsymmetry of frontal cortical electroencephalogram (EEG) activity in children is influenced by the social environment and considered a marker of vulnerability to emotional and behavioral problems. To determine the reliability of these associations, we used meta‐analysis to test whether variation in resting frontal EEG asymmetry is consistently associated with (a) having experienced psychosocial risk (e.g., parental depression or maltreatment) and (b) internalizing and externalizing behavior outcomes in children ranging from newborns to adolescents. Three meta‐analyses including 38 studies (N = 2,523) and 50 pertinent effect sizes were carried out. The studies included in the analyses reported associations between frontal EEG asymmetry and psychosocial risk (k = 20; predominantly studies with maternal depression as the risk factor) as well as internalizing (k = 20) and externalizing (k = 10) behavior outcomes. Psychosocial risk was significantly associated with greater relative right frontal asymmetry, with an effect size of d = .36 (p < .01), the effects being stronger in girls. A non‐significant relation was observed between right frontal asymmetry and internalizing symptoms (d = .19, p = .08), whereas no association between left frontal asymmetry and externalizing symptoms was observed (d = .04, p = .79). Greater relative right frontal asymmetry appears to be a fairly consistent marker of the presence of familial stressors in children but the power of frontal asymmetry to directly predict emotional and behavioral problems is modest. © 2014 Wiley Periodicals, Inc. Dev Psychobiol 56: 1377–1389, 2014.
Hard rock aquifers and free‐living nematodes – an interdisciplinary approach based on two widely neglected components in groundwater research
Authors: Eisendle‐Flöckner Ursula , Hilberg Sylke 
Published: May 2014

AbstractThe subterranean part of the water cycle takes place in three different types of groundwater bodies: (1) unconsolidated sediments, (2) karstic aquifers and (3) fractured hard rock aquifers. Basically, different aquifer types require different investigation methods. However, the physico‐chemical properties of groundwater can aid in the understanding of flow history and aquifer dynamics of each aquifer type. Although groundwater biology is sensitive to hydrochemistry, water temperature and flow velocity, the possible benefits of groundwater animals as ‘hydrogeological agents’ is still rarely considered by hydrogeologists. The main research focus of hydrogeologists and groundwater biologists is shallow groundwater bodies in unconsolidated sediments and karst aquifers. Fractured hard rock aquifers are still poorly considered by both disciplines. This commentary has three purposes: (1) to show the special characteristics of fractured hard rock aquifers in comparison to porous and karst groundwater bodies, and to describe the resulting methological gap hydrogeologists face when investigating such aquifer types; (2) to give an overview of current groundwater biological research with its focuses and shortcomings, including an introduction of rarely known but common groundwater inhabitants, namely free‐living nematodes; and (3) to suggest a combination of methods, supported by a hypothetical example, and the possible benefits this combined knowledge from hydrogeologists and groundwater biologists can bring to both disciplines. Copyright © 2014 John Wiley & Sons, Ltd.
ABC‐Type meso‐Triaryl‐Substituted Subporphyrins
Authors: Yoshida Kota , Mori Hirotaka , Tanaka Takayuki , Mori Tadashi , Osuka Atsuhiro 
Published: May 2014

AbstractABC‐Type subporphyrins 5a–5h, which bear three different meso‐aryl substituents, were rationally synthesized by condensation of AB‐type tripyrranes and aroyl chlorides. ABC‐Type subporphyrins 5i and 5j were synthesized by Pd‐catalyzed amination reaction of 4‐bromophenyl subporphyrins 5e and 5h, respectively. Comparative studies on these ABC‐type subporphyrins with A3‐type subporphyrins and A2B‐type subporphyrins revealed that substituent effects are mostly simple superpositions of individual substituents but cooperative effects are recognized for subporphyrins which bear both electron‐donating and electron‐withdrawing substituents. Despite extensive attempts, enantiomeric separation of B‐methoxy ABC‐type subporphyrins was unsuccessful, whereas B‐phenylated ABC‐type subporphyrins were separated to pure enantiomers. Separated enantiomers showed weak but distinct CD signals reflecting the chiral clockwise/anticlockwise arrangements of the meso‐aryl substituents. These results suggest facile racemization through SN1‐type heterolysis of the B–OMe bond in solution.
A Possible Antineoplastic Potential of Selective, Irreversible Proteasome Inhibitor, Carfilzomib on Chemically Induced Hepatocarcinogenesis in Rats
Authors: Mansour Mahmoud A. , Aljoufi Mohammed A. , Al‐Hosaini Khaled , Al‐Rikabi Ammar C. , Nagi Mahmoud N. 
Published: May 2014

ABSTRACTThe antineoplastic effect of carfilzomib (CFZ) against chemically induced hepatocarcinogenesis was studied. A total of 60 male Wistar albino rats were divided into six groups with 10 animals in each group. Rats in group 1 (control group) were given dimethylsulphoxide (DMSO) (0.4 mL/kg i.p) twice a week for 3 weeks from week 8 to week 10. Animals in groups 2 and 3 were given CFZ (2 and 4 mg/kg i.p) twice a week from week 8 to week 10, respectively. Rats in group 4 were given diethylnitrosamine (DENA) at a dose of 0.01% in drinking water for 10 weeks and received a DMSO (0.4 mL/kg i.p) twice a week from week 8 to week 10. Animals in groups 5 and 6 were given DENA at a dose of 0.01% in drinking water for 10 weeks and treated with CFZ (2 and 4 mg/kg i.p) twice a week from week 8 to week 10, respectively. CFZ succeeded in suppressing the elevated serum tumor marker α‐fetoprotein and carcinoembryonic antigen. The antineoplastic effect of CFZ was also accompanied by normalization of elevated hepatic tissue growth factors, matrix metalloproteinase‐2 and tissue inhibitor of metalloproteinase‐1, and augmentation of hepatic endostatin and metallothionein. A histopathological examination of liver samples treated with CFZ after DENA intoxication correlated with the biochemical observation. Treatment with CFZ confers an antineoplastic activity against chemically induced hepatocarcinogenesis. These findings suggest that CFZ plays a pivotal role in the treatment of hepatocarcinogenesis.
Hyperpolarized choline as an MR imaging molecular probe: Feasibility of in vivo imaging in a rat model
Authors: Friesen‐Waldner Lanette J. , Wade Trevor P. , Thind Kundan , Chen Albert P. , Gomori J. Moshe , Sosna Jacob , McKenzie Charles A. , Katz‐Brull Rachel 
Published: May 2014

PurposeTo assess the feasibility of choline MRI using a new choline molecular probe for dynamic nuclear polarization (DNP) hyperpolarized MRI.Materials and MethodsMale Sprague‐Dawley rats with an average weight of 400 ± 20 g (n = 5), were anesthetized and injection tubing was placed in the tail vein. [1,1,2,2‐D4, 1‐13C]choline chloride (CMP1) was hyperpolarized by DNP and injected into rats at doses ranging from 12.6 to 50.0 mg/kg. Coronal projection 13C imaging was performed on a 3 Tesla clinical MRI scanner (bore size 60 cm) using a variable flip angle gradient echo sequence. Images were acquired 15 to 45 s after the start of bolus injection. Signal intensities in regions of interest were determined at each time point and compared.Results13C MRI images of hyperpolarized CMP1 at a 50 mg/kg dose showed time‐dependent organ distribution patterns. At 15 s, high intensities were observed in the inferior vena cava, heart, aorta, and kidneys. At 30 s, most of the signal intensity was localized to the kidneys. These distribution patterns were reproduced using 12.6 and 25 mg/kg doses. At 45 s, only signal in the kidneys was detected.ConclusionHyperpolarized choline imaging with MRI is feasible using a stable‐isotope labeled choline analog (CMP1). Nonradioactive imaging of choline accumulation may provide a new investigatory dimension for kidney physiology. J. Magn. Reson. Imaging 2015;41:917–923. © 2014 Wiley Periodicals, Inc.
Prevalence and Correlates of Posttrauma Distorted Beliefs: Evaluating DSM‐5 PTSD Expanded Cognitive Symptoms in a National Sample
Authors: Cox Keith S. , Resnick Heidi S. , Kilpatrick Dean G. 
Published: May 2014

AbstractThe fifth edition of the Diagnostic and Statistical Manual of Mental Disorders (DSM‐5; American Psychiatric Association [APA], 2013) modified the diagnostic criteria for posttraumatic stress disorder (PTSD), including expanding the scope of dysfunctional, posttrauma changes in belief (symptoms D2—persistent negative beliefs and expectations about oneself or the world, and D3—persistent distorted blame of self or others for the cause or consequences of the traumatic event). D2 and D3 were investigated using a national sample of U.S. adults (N = 2,498) recruited from an online panel. The prevalence of D2 and D3 was substantially higher among those with lifetime PTSD than among trauma‐exposed individuals without lifetime PTSD (D2: 74.6% vs 23.9%; D3: 80.6% vs 35.7%). In multivariate analyses, the strongest associates of D2 were interpersonal assault (OR = 2.39), witnessing interpersonal assault (OR = 1.63), gender (female, OR = 2.11), and number of reported traumatic events (OR = 1.88). The strongest correlates of D3 were interpersonal assault (OR = 3.08), witnessing interpersonal assault (OR = 1.57), gender (female, OR = 2.30), and number of reported traumatic events (OR = 1.91). The findings suggested the expanded cognitive symptoms in the DSM‐5 diagnostic criteria better capture the cognitive complexity of PTSD than those of the DSM‐IV.
Study of medication‐free children with Tourette syndrome do not show imaging abnormalities
Authors: Jeppesen Signe Søndergaard , Debes Nanette Mol , Simonsen Helle Juhl , Rostrup Egill , Larsson H.B.W. , Skov Liselotte 
Published: May 2014

ABSTRACTBackgroundImaging studies of patients with Tourette's syndrome (TS) across different cohorts have shown alterations in gray and white matter in areas associated with the cortico‐striato‐thalamic‐cortical (CSTC) pathways; however, no consistent findings have subsequently established a clear indication of the pathophysiology of TS.MethodsThis study was designed to investigate changes in gray and white matter in medication‐free children with TS in the CSTC areas. With MRI, 24 children with TS and 18 healthy controls were analyzed using three complementary methods.Results and ConclusionAnalyses revealed no differences between controls and patients with TS in gray or white matter. Possible discrepancies between cohorts and methods may play a role in the different findings in other studies. Further studies investigating well‐defined cohorts with TS analyzing both gray and white matter in the same cohort may add additional information to the pathophysiology of TS. © 2014 International Parkinson and Movement Disorder Society
Accuracy of one‐step integration schemes for damped/forced linear structural dynamics
Authors: Depouhon Alexandre , Detournay Emmanuel , Denoël Vincent 
Published: May 2014

SUMMARYThis paper proposes an energy‐based measure for the evaluation of the local truncation error of two‐level one‐step integration schemes. The measure applies to multiple degree of freedom systems and does not necessarily require modal reduction to a scalar model; it naturally handles the structural damping and external forcing terms that are generally and mistakenly neglected in error analyses, and it segregates the error associated with the free and forced response components of the problem. To illustrate the approach, two examples associated with the application of the trapezoidal scheme and of a high‐order scheme proposed in the literature are analyzed. The latter reveals the shortcomings of the standard approach that is based on the undamped/unforced linear oscillator and therefore highlights the need for the proposed framework. Indeed, the scheme order of accuracy is below expectation when structural damping or external forcing is considered, in the numerically dissipative setting. Developments on the basis of the time discontinuous Galerkin (TDG) method are then proposed to recover the scheme high‐order accuracy. Additionally, they show the similarity that exists between schemes related to the TDG method and the ones obtained by integration by parts of the equation of motion. Copyright © 2014 John Wiley & Sons, Ltd.
Finite block method for transient heat conduction analysis in functionally graded media
Authors: Li M. , Wen P.H. 
Published: May 2014

SUMMARYBased on the one‐dimensional differential matrix derived from the Lagrange series interpolation, the finite block method is proposed first time to solve both stationary and transient heat conduction problems of anisotropic and functionally graded materials. The main idea is to establish the first order one‐dimensional differential matrix constructed by using Lagrange series with uniformly distributed nodes. Then the higher order of derivative matrix for one‐dimensional problem is obtained. By introducing the mapping technique, a block of quadratic type is transformed from Cartesian coordinate (xyz) to normalised coordinate (ξης) with 8 seeds or 20 seeds for two or three dimensions. Then the differential matrices in physical domain are determined from that in normalised transformed coordinate system. In addition, the time dependent partial differential equations are analysed in the Laplace transformed domain, and the Durbin inversion method is used to determine the values in time domain. Illustrative two‐dimensional and three‐dimensional numerical examples are given, and comparisons have been made with analytical solutions. Copyright © 2014 John Wiley & Sons, Ltd.
An efficient augmented finite element method for arbitrary cracking and crack interaction in solids
Authors: Liu W. , Yang Q.D. , Mohammadizadeh S. , Su X.Y. 
Published: May 2014

SUMMARYThis paper presents an augmentation method that enables bilinear finite elements to efficiently and accurately account for arbitrary, multiple intra‐elemental discontinuities in 2D solids. The augmented finite element method (A‐FEM) employs four internal nodes to account for the crack displacements due to an intra‐elemental weak or strong discontinuity, and it permits repeated elemental augmentation to include multiple interactive cracks. It thus enables a unified treatment of damage evolution from a weak discontinuity to a strong discontinuity, and to multiple interactive cohesive cracks, all within a single bilinear element that employs standard external nodal DoFs only. A novel elemental condensation procedure has been developed to solve the internal nodal DoFs as functions of the external nodal DoFs for any irreversible, piece‐wise linear cohesive laws. It leads to a fully condensed elemental equilibrium equation with mathematical exactness, eliminating the need for nonlinear equilibrium iterations at elemental level. The new A‐FEM's high‐fidelity simulation capabilities to interactive cohesive crack formation and propagation in homogeneous, and heterogeneous solids have been demonstrated through several challenging numerical examples. It is shown that the proposed A‐FEM, empowered by the new elemental condensation procedure, is numerically very efficient, accurate, and robust. Copyright © 2014 John Wiley & Sons, Ltd.
Extraction of stress intensity factors from Irwin's integral using high‐order XFEM on triangular meshes
Authors: Song Gan , Waisman Haim , Lan Mengyu , Harari Isaac 
Published: May 2014

SummaryThis paper is dedicated to Professor Ted Belytscho's 70th birthday. His seminal contributions to Fracture Mechanics and the extended finite element method have significantly inspired us in this work. The current paper extends our recent work on the extraction of stress intensity factors (SIFs) from Irwin's integral, using a high‐order extended FEM (XFEM) formulation. By matching leading r terms (r being the distance from the crack tip to any other material point) in XFEM with analytical expansion of Irwin's Integral, a closed‐form solution for SIFs is obtained. Hence, SIFs can directly be obtained upon solution of the XFEM discrete system, which were shown to be accurate on structured rectangular meshes. However, extension to unstructured quadrilateral elements may not be trivial. To this end, we extend the formulation to triangular elements, where significant simplification of the closed‐form expression is obtained. Moreover, the formulation is directly applicable to unstructured meshes without extra work. Hence, this paper is considered a significant step toward automating and extending this method to more general applications. Numerical results show that accurate and consistent SIFs can be obtained on some pure mode and inclined crack benchmark problems, on structured and unstructured meshes. Examples of a crack approaching a hole and two cracks approaching each other are also investigated. The latter illustrates the advantage of this method over a J‐integral class of methods, as SIFs can still be calculated when cracks are in proximity and no remeshing is required. Hence, potentially, this method can address crack coalescence, branching and proximity to boundaries more rigorously. Copyright © 2014 John Wiley & Sons, Ltd.