bluuebunny/crossref_metadata_2025_split huggingface dataset:
Charge‐transport physics of high‐mobility molecular semiconductors
Authors: Sirringhaus Henning , Sakanoue Tomo , Chang Jui‐Fen 
Published: July 2012

AbstractThis review is focused on understanding of the charge‐transport physics of high‐mobility organic semiconductors at a molecular level. We review recent high‐mobility small‐molecule and conjugated polymer materials with a focus on crystalline materials that have been able to exceed mobilities of 0.5–1 cm2/V s. We discuss some of the main, competing factors that govern charge transport in these materials and present theoretical approaches that have been developed to describe systems in which moderately strong intermolecular electronic interactions and strong electron–phonon interactions are present. Finally, we review recent experimental results that have aimed to address the important question of whether at room‐temperature charge carriers in these high‐mobility organic semiconductors are in fact simply extended Bloch electrons that undergo occasional scattering processes or are localized on individual molecules and move by hopping.
Circuit model for hybridization modes in metamaterials and its analogy to the quantum tight‐binding model
Authors: Nakata Yosuke , Okada Takanori , Nakanishi Toshihiro , Kitano Masao 
Published: July 2012

AbstractWe formulate a general method to analyze hybridization modes in metamaterials by employing electrical circuit models. By rewriting circuit equations for coupled inductor–capacitor circuit networks in the bra‐ket notation, we show that there exists a good analogy between circuit models and quantum tight‐binding models in solid‐state physics. Our picture is also applicable to transmission systems that do not have tightly bound eigenmodes.This analogy enables the synthesis of various electromagnetic metamaterials having dispersion relations similar to those for electrons in solids and consequently allows the systematic construction of metamaterials with desired characteristics. In this paper, we focus on the formation of flat bands in metamaterials with specific symmetries. The flat band, which corresponds to a slow group velocity of light or a heavy photon, is useful in designing functional metamaterials.
Density functional study of the TiN/Ge2Sb2Te5 interface
Authors: Mandelli D. , Caravati S. , Bernasconi M. 
Published: July 2012

AbstractWe studied the epitaxial TiN(001)/Ge2Sb2Te5(001) (GST) interface of interest for applications in phase change non‐volatile memories by means of density functional calculations. The cubic phase of GST of interest for the memory devices was considered. From geometry optimization we found an equilibrium distance of about 3.0 Å between Ti and Te, Ge and Sb atoms located directly above along the [001] direction. The interface formation energy of a large 1440‐atom model is γint = 50 meV/Å2. The surface energy of TiN(001) and GST(001) are γS = 81 and 10 meV/Å2 resulting in an adhesion energy of γad = 41 meV/Å2. A good adhesion between the two materials can thus be achieved in the ideal epitaxial configuration. The presence of metal induced gap states (MIGS) is revealed by the analysis of Kohn–Sham (KS) orbitals.
A glass thinning and texturing method for light incoupling in thin‐film polycrystalline silicon solar cells application
Authors: Cui Hongtao , Campbell Patrick R. 
Published: July 2012

AbstractFor polycrystalline silicon (poly‐Si) thin‐film solar cells on ∼3 mm borosilicate glass, glass thinning reduces the glass absorption and light leaking to neighbouring cells; the glass texturing of the sun‐facing side suppresses reflection. In this Letter, a labour‐free wet etching method is developed to texture and thin the glass at the same time in contrast to conventionally separated labour‐intensive glass thinning and texturing processes. For 2 cm2 size poly‐Si thin‐film solar cells on glass superstrate, this wet etching successfully thins down the glass from 3 mm to 0.5 mm to check the ultimate benefit of the process and introduces a large micron texture on the sun‐facing glass surface. The process enhances Jsc by 6.3% on average, with the optimal Jsc enhancement of 8%, better than the value of 4.6% found in the literature. This process also reduces the loss in external quantum efficiency (EQE loss), which is due to light leaking to neighbouring cells, dramatically. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
On the representation matrices for the symmetric group adapted to electron‐pair and electron‐group wave functions using graphical methods of spin algebras
Authors: Wilson S. , Hubač I. 
Published: July 2012

AbstractUsing graphical methods of spin algebras, we present a direct method for the determination of the representation matrices of the symmetric group in a basis adapted to electron‐pair and electron‐group wave functions. In particular, we consider nonstandard representations adapted to
$S_{n_1 } \times S_{n_2 } \times \ldots \times S_{n_\ell }$
where n1 + n2 + … + nℓ = n. The Serber coupling scheme based on S2 × S2 × …× S2 is a special case suited for electron‐pair wave functions. Our approach exploiting graphical methods of spin algebras is contrasted with the use of Young diagrams and tableaux, Yamanouchi symbols and branching diagrams. © 2012 Wiley Periodicals, Inc.
Generalized oscillator strength of endohedral molecules
Authors: Amusia M. Ya. , Chernysheva L. V. , Liverts E. Z. 
Published: July 2012

AbstractWe calculate here the main characteristic of the fast electron scattering on endohedrals, namely their generalized oscillator strength (GOS), total and differential in the angle of atomic electron emission. Endohedrals are atoms A staffed inside the fullerene CN and denoted as A@CN. We take into account two major effects of CN on ionization of the atom A: the scattering of the emitted electron by the static potential of the fullerenes shell and the modification of the interaction between the fast incoming and atomic electrons due to polarization of the fullerenes shell by the incoming electron beam. We substitute the complex fullerenes shell CNby a static zero thickness potential, and express its deformation under incoming electron action via CNpolarizabilities. We perform all consideration in the frame of the random phase approximation with exchange that gave reliable results for GOSes of isolated atoms. We limit ourselves with the dipole and the biggest nondipole contributions to the differential in angle GOSes. We compare differential in angle GOSes with differential in angle photoionization cross‐section as a source of information on the target electronic structure and emphasize some advantages of the fast electron scattering. The concrete objects of calculations are noble gas endohedrals Ar@C60 and Xe@C60, and the results are presented for two transferred momentum q values, q = 0.1 and 1.0. Even for small q = 0.1, in the optical limit, the deviation from photoionization case is prominent and instructive. We demonstrate impressive new features of GOSes that appear due to fullerenes shell actions—regular oscillations and very big maxima. As an interesting and very specific object, we study onion‐type endohedrals A@CN1@CN2, in which the construction A@CN1 is stuffed inside CN2 with N2 >> N1. The consideration is similar to that developed in our recent article on total and differential in angle GOSes of isolated atoms (Amusia et al., Phys. Rev. 2012, A 85, 042722). © 2012 Wiley Periodicals, Inc.
Continuous flow reaction monitoring using an on‐line miniature mass spectrometer
Authors: Browne Duncan L. , Wright Steven , Deadman Benjamin J. , Dunnage Samantha , Baxendale Ian R. , Turner Richard M. , Ley Steven V. 
Published: July 2012

RATIONALEA recently developed miniature electrospray ionisation mass spectrometer has been coupled to a preparative flow chemistry system in order to monitor reactive intermediates and competing reaction paths, screen starting materials, and optimise reaction conditions. Although ideally suited to the application, mass spectrometers have rarely been used in this way, as traditional instruments are too bulky to be conveniently coupled to flow chemistry platforms.METHODSA six‐port switching valve fitted with a 5 μL loop was used to periodically sample the flow stream leaving the reactor coil. Mass spectra corresponding to the sample loop contents were observed approximately 10 s after activating the valve. High fluidic pressure was maintained throughout to ensure that gaseous products remained in solution. As an illustrative example of how this apparatus can be employed, the generation of benzyne and its subsequent reaction with furan were investigated. Benzyne was prepared via diazotisation of anthranilic acid using tert‐butyl nitrite.RESULTSUnexpectedly, the explosive diazotised intermediate was detected by the mass spectrometer at low coil temperatures or short residence times. The optimum reactor temperature and residence time for production of the desired Diels‐Alder product are 50 °C and 3–5 min, respectively. There are competing reaction pathways leading to the formation of acridone and several other by‐products.CONCLUSIONSOn‐line mass spectrometry allowed the flow conditions to be quickly tuned for safe operation and optimal generation of the desired product. The validity of this approach was corroborated by off‐line liquid chromatography/mass spectrometry (LC/MS) analysis of flow samples. Copyright © 2012 John Wiley & Sons, Ltd.
MORPHOLOGICALLY RELATED INTEGRATIVE MANAGEMENT CONCEPT FOR RECONNECTING ABANDONED CHANNELS BASED ON AIRBORNE LiDAR DATA AND HABITAT MODELLING
Authors: Hauer Christoph , Mandlburger Gottfried , Schober Bernhard , Habersack Helmut 
Published: July 2012

ABSTRACTMost of the large rivers are heavily degraded and lack near‐natural conditions due to high human pressure (agricultural use and settlements) especially on former inundation areas. Hence, it is rarely possible to ‘restore’ predisturbance conditions of rivers and their floodplains. Further, river or floodplain restoration programs are often based on type‐specific reference conditions. Those reference conditions are mainly determined on the basis of historical maps not giving any information of, for example, sediment supply, flood frequency and vegetation cover (density). Especially for improving the ecological status of rivers with abandoned channel features, key habitats for target fish species have to be restored by reconnecting floodplains and their secondary channel system. In addition, because of the necessity of improving the ecological status, there is growing interest in interdisciplinary river restoration techniques. Within the presented article, an integrative concept is derived based on Light Detection and Ranging measurements and numerical modelling with respect to river dynamics (hydrologic and morphological). Further habitat modelling, based on unsteady depth‐averaged two‐dimensional hydrodynamics, is applied with a focus on the mesounit scale. For testing the conceptual model, various river reaches at the Morava River were selected, featuring different morphological characteristics. It was found that the applied management concept allows considering the important issues of river dynamics (morphological/hydrologic) using a flow‐ and flood‐pulse approach for identifying bottlenecks of target species at the Morava River. The reconnection of abandoned channels will result in an increase of hydromorphological heterogeneity and/or woody debris within the study reach. This might be of high relevance for habitat features (e.g. backwater habitats) especially for flow pulses between low flow and mean flow and/or in reaches without abandoned channels between low‐flow and the bankfull stage. Copyright © 2012 John Wiley & Sons, Ltd.
Robust parameter design for system dynamics models: a formal approach based on goal‐seeking behavior
Authors: Ng Tsan Sheng , Sy Charlle Lee , Lee Loo Hay 
Published: July 2012

AbstractParametric uncertainties in system dynamics models can cause undesirable behavior, and if unaccounted for in the design phase can impair the ability of the system to meet design requirements. Sensitivity analysis, while useful in the modeling process, does not by itself offer a systematic method to the problem of system design under uncertainties. In this work, we propose an optimization model‐based approach with the aim of obtaining a parametric design for system dynamics models that is robust against uncertainties. Our research synthesizes recent developments in robust optimization technology, eigenvalue analysis and the goal‐seeking behavior of decision agents. To this end, we develop a mathematical model that is computationally efficient to solve and effective in hedging against parametric uncertainties. Numerical case studies conducted using a hare and lynx model and an inventory–workforce model demonstrate significant improvements of the proposed designs in achieving system requirements under uncertainty. Copyright © 2012 System Dynamics Society.
Bioenergy and land use change—state of the art
Authors: Berndes Göran , Ahlgren Serina , Börjesson Pål , Cowie Annette L. 
Published: July 2012

AbstractBioenergy projects can lead to direct and indirect land use change (LUC), which can substantially affect greenhouse gas balances with both beneficial and adverse outcomes for bioenergy's contribution to climate change mitigation. The causes behind LUC are multiple, complex, interlinked, and change over time. This makes quantification uncertain and sensitive to many factors that can develop in different directions—including land use productivity, trade patterns, prices and elasticities, and use of by‐products associated with biofuels production. Quantifications reported so far vary substantially and do not support the ranking of bioenergy options with regard to LUC and associated emissions. There are however several options for mitigating these emissions, which can be implemented despite the uncertainties. Long‐rotation forest management is associated with carbon emissions and sequestration that are not in temporal balance with each other and this leads to mitigation trade‐offs between biomass extraction for energy use and the alternative to leave the biomass in the forest. Bioenergy's contribution to climate change mitigation needs to reflect a balance between near‐term targets and the long‐term objective to hold the increase in global temperature below 2°C (Copenhagen Accord). Although emissions from LUC can be significant in some circumstances, the reality of such emissions is not sufficient reason to exclude bioenergy from the list of worthwhile technologies for climate change mitigation. Policy measures to minimize the negative impacts of LUC should be based on a holistic perspective recognizing the multiple drivers and effects of LUC.This article is categorized under:

Bioenergy > Economics and Policy
Bioenergy > Climate and Environment
Influence of Young Age on Outcome After Esophagectomy for Cancer
Authors: van Nistelrooij Anna M. J. , Andrinopoulou Elrozy R. , van Lanschot Jan J. B. , Tilanus Hugo W. , Wijnhoven Bas P. L. 
Published: July 2012

AbstractBackgroundThe incidence of esophageal cancer has risen among all age groups. Controversy exists about the clinical presentation and prognosis of young patients. The aim of this study was to compare the clinicopathologic characteristics and outcomes after surgery between patients with esophageal cancer who were <50 years of age and those ≥50 years of age.MethodsPatients diagnosed with esophageal carcinoma who underwent esophagectomy between January 1990 and December 2010 in a single institution were selected from a prospective database. Patients aged <50 years at diagnosis (n = 163) were compared with those ≥50 years (n = 1151) with respect to clinicopathologic stage and oncologic outcome.ResultsYounger patients had less co‐morbidity (p < 0.001). There were no significantly differences in tumor localization, histology, differentiation, or TNM stage in the two groups. In both groups, 37 % of the patients underwent neoadjuvant chemo(radio)therapy. One or more nonsurgical complications developed in 53 % of the older group versus 42 % in the younger group (p = 0.012). In‐hospital mortality was 6.3 % for patients ≥50 years compared to 1.8 % for younger patients (p = 0.021). The 5 year overall survival was significantly better for the younger patients than for those ≥50 years (41 vs. 31 %, p < 0.001), but median disease‐specific and disease‐free survival did not differ between the groups (37 vs. 30 months, p = 0.140 and 49 vs. 28 months, p = 0.079, respectively). Multivariate analysis identified moderate, poorly, and undifferentiated tumors; tumor‐positive resection margins (pR1–2); and TNM stage IIB–IV as independent predictors of disease‐specific survival.ConclusionsA considerable proportion (12 %) of patients diagnosed with resectable esophageal carcinoma were <50 years. Phenotypic tumor characteristics and disease‐specific survival were comparable for the two age groups.
Active aneurysmal bone cysts in children: Possible evolution after biopsy
Authors: Louahem Djamel , Kouyoumdjian Pascal , Ghanem Ismat , Mazeau Philippe , Perrochia Hélène , L'Kaissi Mohamed , Cottalorda Jérôme 
Published: July 2012

Purpose The active or aggressive character in certain localisations of aneurysmal bone cysts in children requires either curettage with a considerable recurrence rate or a radical segmental excision, raising complex reconstructive challenges. Cyst maturation with subsequent ossification may be observed either spontaneously or after incisional biopsy. Patients Five new cases of active aneurysmal bone cysts (ABCs) with healing of the cyst after biopsy alone are reported. All patients had no treatment of the cyst after the biopsy. Results In two cases, the lesion initially increases in size immediately after the biopsy, and it is only secondarily that the lesion decreases in size. Four out of five cases of the spontaneous healing occurred in pelvic bone. The cysts healed after, respectively, 36, 24, 12, 32 and 12 months. Conclusions The emergence of these new cases of spontaneous healing encourages promoting clinical and radiological supervision after biopsy in selected cases. Unfortunately, it is impossible to predict a possible aggressive behaviour in ABCs. Then, if the lesion is quickly aggressive with clinically and radiologically increasing size after biopsy, it would be illogical and dangerous to let this ABC evolve. It would be necessary to treat it without delay. On the other hand, if the lesion moderately increased after the biopsy, it is possible to wait and observe the patient during a period of 5 months for a possible healing, if the ABC localisation is not dangerous. Of course, if the lesion does not increase in size after biopsy, there is no delay to treat it.
Toxic effects of dietary hydrolysed lipids: anin vivostudy on fish larvae
Authors: Sæle Øystein , Nordgreen Andreas , Olsvik Pål A. , Hjelle Jan I. , Harboe Torstein , Hamre Kristin 
Published: July 2012

We have previously described that fish larvae absorb a larger fraction of dietary monoacylglycerol than TAG. To investigate how dietary hydrolysed lipids affect a vertebrate at early life stages over time, we fed Atlantic cod (Gadus morhua) larvae six diets with different degrees of hydrolysed lipids for 30 d. The different diets had no effect on growth, but there was a positive correlation between the level of hydrolysed lipids in the diets and mortality. Important genes in lipid metabolism, such asPPAR, farnesoid X receptor (FXR) and stearoyl-CoA desaturase (SCD), were regulated by the different diets. Genes involved in the oxidative stress response did not respond to the increased lipid hydrolysation in the diets. However, enterocyte damage was observed in animals fed diets with 2·7 % NEFA (diet 3) or more. It is thus possible that mortality was due to infections and/or osmotic stress due to the exposure of the subepithelial tissue. In contrast to earlier experiments showing a positive effect of dietary hydrolysed lipids, we have demonstrated a toxic effect of dietary NEFA on Atlantic cod larvae. Toxicity is not acute but needs time to accumulate.
Excess mortality associated with the 2009 A(H1N1)v influenza pandemic in Antananarivo, Madagascar
Authors: RAJATONIRINA S. , RAKOTOSOLOFO B. , RAKOTOMANANA F. , RANDRIANASOLO L. , RATSITOHARINA M. , RAHARINANDRASANA H. , HERAUD J.-M. , RICHARD V. 
Published: July 2012

SUMMARYIt is difficult to assess the mortality burden of influenza epidemics in tropical countries. Until recently, the burden of influenza was believed to be negligible in Africa. We assessed the impact of the 2009 influenza epidemic on mortality in Madagascar by conducting Poisson regression analysis on mortality data from the deaths registry, after the first wave of the 2009 A(H1N1) virus pandemic. There were 20% more human deaths than expected in Antananarivo, Madagascar in November 2009, with excess mortality in the ⩾50 years age group (relative risk 1·41). Furthermore, the number of deaths from pulmonary disease was significantly higher than the number of deaths from other causes during this pandemic period. These results suggest that the A(H1N1) 2009 virus pandemic may have been accompanied by an increase in mortality.
Group B rotavirus infection in patients with acute gastroenteritis from India: 1994–1995 and 2004–2010
Authors: LAHON A. , MANIYA N. H. , TAMBE G. U. , CHINCHOLE P. R. , PURWAR S. , JACOB G. , CHITAMBAR S. D. 
Published: July 2012

SUMMARYFaecal specimens collected from 2101 patients with acute gastroenteritis from three cities (Pune, Alappuzha, Belgaum) in India during 1994–1995 and 2004–2010 were tested for group B rotavirus (RVB) by amplification of theNSP2gene using RT–PCR. Seventy-five (3·6%) specimens were shown to contain RVB RNA. The positivity rate in Pune, Alappuzha and Belgaum was 4·1%, 7·3% and 4·1%, respectively, in the 2000s which was not significantly different from the detection rate in the 1990s in Pune (2·5%,P>0·05). RVB infections prevailed in adolescents and adults (62/1082, 5·7%) compared to children (13/1019, 1·3%,P<0·001) and were detected throughout the year. Phylogenetically, all strains clustered in an NSP2 lineage together with Indian-Bangladeshi RVB strains belonging to VP7 genotype G2. The study confirmed the occurrence of RVB infections in western India and reported for the first time circulation of RVB strains in southern India, suggesting that an increased awareness and monitoring for RVB infections is necessary in India.
Prevalence, seasonality, and peak age of infection of enteric adenoviruses in Japan, 1995–2009
Authors: DEY S. K. , HOQ I. , OKITSU S. , HAYAKAWA S. , USHIJIMA H. 
Published: July 2012

SUMMARYA total of 7185 faecal specimens collected from infants and children with gastroenteritis in seven different regions of Japan during 1995–2009 were examined for adenovirus by polymerase chain reaction. Adenovirus was detected in 568 (7·9%) patients. The adenovirus activity peak was in winter and spring seasons (December–March) during the study period in the Japanese paediatric population. During the last 15 years, adenovirus 41 was the most predominant strain in Japan.