bluuebunny/crossref_metadata_2025_split huggingface dataset:
Low‐temperature electrical resistivity of cupric telluride (CuTe) thin films
Authors: Neyvasagam K. , Soundararajan N. , Ajaysoni  , Okram G. S. , Ganesan V. 
Published: October 2007

AbstractThin films of cupric telluride (CuTe) of thickness from 50 to 200 nm have been prepared using a thermal evaporation technique onto well‐cleaned glass substrates kept at 300 K under a vacuum better than 2 × 10–5 mbar. After annealing the deposited films at 375 K for an hour, the resistivity of these films and that of bulk CuTe were measured using the four‐probe technique as a function of temperature from 80 to 310 K. It is found that the bulk sample of CuTe exhibits metallic behaviour and the thin films show semiconducting be‐ haviour. Activation energies of the films have been evaluated and are in the range 0.05 and 0.15 eV. The metallic behaviour of bulk CuTe down to 4 K indicates that the variable range hopping mechanism is absent in CuTe at least down to liquid helium temperature. X‐ray diffraction analysis confirmed the composition and polycrystalline nature of the CuTe films. The grain size of CuTe thin films, estimated from atomic force microscopy measurements, is around 40 nm. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A method for applying biaxial stress to solids
Authors: Trzeciakowski Witold , Strzeszewski Jan , Gębicki Wojciech , Thebaud Jean‐Marc 
Published: October 2007

AbstractLarge deformations of materials are achieved by applying gas pressure to thin circular plates. The deflections of the plates are measured using a laser profilometer and the strain in the centre of the plates is determined from the radius of curvature and verified by Raman scattering. The results for Si(100), Si(111) and GaAs(111) are compared with the classical theory for thin plates. The relationship between the applied pressure and the strain in the centre of the plates is simple in the case when the deflection is less than the thickness. For deflections comparable to or exceeding the thickness it is best to perform the measurements on both sides of the plate and look at the differences between them. The method should be useful for determining electron or phonon deformation potentials or for studying biaxial strain effects in one sample. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Optical properties of one‐dimensional graphene polymers: the case of polyphenanthrene
Authors: Prezzi D. , Varsano D. , Ruini A. , Marini A. , Molinari E. 
Published: October 2007

AbstractWe investigate from first principles the effect of many‐body corrections on the optoelectronic properties of polyphenanthrene (PPh), a prototype system for carbon‐based ladder polymers and 1D nanographenes with cis ‐polyene edges. We show that the inclusion of many‐body effects is essential to correctly describe both quasiparticle bandstructure and optical response. Consistently with the reduced dimensionality of the system, the inclusion of electron–hole interaction leads to strongly bound excitons which dominate the spectra. A complete characterization of the low‐energy excitonic states is carried out, together with their optical activity. In particular, we find a dark exciton below the first optically active one, which is expected to crucially affect the luminescence efficiency. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A Minireview of Available Skin Sensitization (Q)SARs/Expert Systems
Authors: Patlewicz Grace , Aptula Aynur O. , Roberts David W. , Uriarte Eugenio 
Published: October 2007

AbstractThis minireview describes the state‐of‐the‐art of available (Q)SARs/expert systems for skin sensitization and evaluates their utility for potential regulatory use. It is one of a series of minireviews in this journal and is based on an in‐depth review performed by the European Chemicals Bureau (ECB) of the European Commission's Joint Research Centre (JRC) in support of the development of technical guidance for the implementation of the Registration, Evaluation, and Authorization of CHemicals (REACH) legislation. Most existing models fall into one of two main categories: either they are local in nature, usually specific to a chemical class or reaction chemical mechanism or else they are global in form, derived empirically using statistical methods. Some global QSARs have been recently characterized in accordance with the OECD validation principles and shown to be of limited use for regulatory applications. These have been evaluated in more detail elsewhere. Expert systems capable of predicting skin sensitization are discussed briefly. The strong mechanistic understanding of skin sensitization has facilitated the development of relative alkylation index (RAI) models. The RAI approach, relying on reactivity and hydrophobicity as the key parameters, actually appears to be the most promising means of deriving robust and mechanistically interpretable models which can be applied in a regulatory context. These are now referred to as Quantitative Mechanistic Models (QMM). Whilst hydrophobicity is conveniently modelled using log P, reactivity is often not easily determined from chemical structure. Initiatives are in progress to generate the necessary reactivity data for reactions relevant to skin sensitization but more resources are still required. A strategy of how information from using the RAI approach can be used in the evaluation of skin sensitization potential is described. This is the subject of on‐going and future work.
DFT‐Based QSAR Study of Valproic Acid and its Derivatives
Authors: Hashemianzadeh Majid , Safarpour Mohammad Ali , Gholamjani‐Moghaddam Kiana , Mehdipour Ahmad Reza 
Published: October 2007

AbstractThe usefulness of the quantum chemical descriptors, calculated at the level of the DFT theory using 6‐31G (d) basis set for QSAR study of antiepileptic drugs was examined. A dataset containing 25 valproic acid derivatives with known activity was used. Three types of molecular descriptors including AIM, chemical and quantum chemical was used to derive a quantitative relationship between the antiepileptic activity and structural properties. Multiple linear regressions were employed to model the relationships between molecular descriptors and biological activity of molecules using stepwise method and genetic algorithm as variable selection tools. A multi‐parametric equation containing three descriptors with good statistical qualities was obtained by Multiple Linear Regression (MLR) using stepwise method. Also, GA‐MLR regression was used to model the structure–activity relationships more accurately. The results showed that the results obtained by GA‐MLR are similar to MLR.
Quantum adiabatic switching route to the impurity modulated states of 2‐D quantum dots with different switching functions
Authors: Hazra Ram Kuntal , Ghosh Manas , Bhattacharyya S. P. 
Published: October 2007

AbstractA time‐dependent quantum adiabatic switching algorithm is exploited to determine the eigenstates of 2‐D quantum dots perturbed by a repulsive scatterer. Several forms of switching functions are explored and optimal forms are suggested. The switching paths are compared for a number of states, using overlap, information entropy and energy as descriptors for possible identification of the optimal switching function. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Ab initio interpretation of Hund's rule for the methylene molecule: Variational optimization of its molecular geometries and energy component analysis
Authors: Maruyama Youhei , Hongo Kenta , Tachikawa Masanori , Kawazoe Yoshiyuki , Yasuhara Hiroshi 
Published: October 2007

AbstractHund's spin‐multiplicity rule for the ground state of the methylene molecule CH2 is interpreted by Hartree‐Fock (HF) and multi‐reference configuration interaction (MRCI) methods. The stabilization of the triplet ground state ($\tilde{X}$3B1) relative to the second singlet excited state ($\tilde{b}$1B1) is ascribed to the greater electron‐nucleus attraction energy that is gained at the cost of increasing the electron‐electron repulsion energy and with the aid of a reduction in the nucleus‐nucleus repulsion energy. The highest spin‐multiplicity in the ground state of CH2 is accompanied by a set of three characteristic features, i.e., elongation of the internuclear distances, reduction in the bond angle, and contraction of the valence electron density distribution around the nuclei involving expansion of the core electron density distribution. The present calculations fulfill the virial theorem to an accuracy of −V/T = 2.000 for both HF and MRCI. Accordingly, the molecular geometries are optimized for each of the two states. The inclusion of correlation by MRCI method reduces the energy splitting between the two states by about 14%. The energy splitting is analyzed by the correlational virial theorem 2Tc + Vc = 0 to make a clear interpretation of the correlation effect.© 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
The mitral gap at 11 + 0 to 13 + 6 weeks: marker of trisomy 21 or artifact?
Authors: Maiz N. , Dagklis T. , Huggon I. , Allan L. , Nicolaides K. H. 
Published: October 2007

AbstractObjectivesTo investigate the possible association between a particular pulsed Doppler waveform pattern, mitral gap, and trisomy 21 at 11 + 0 to 13 + 6 weeks.MethodsWe performed two studies. The first was a retrospective analysis of pulsed Doppler velocity waveforms of the mitral valve inflow, recorded during specialist fetal echocardiography in 291 chromosomally normal and 144 trisomy 21 fetuses with a nuchal translucency (NT) thickness of 3.5 mm or more. We examined each waveform in each trace to determine whether there was a gap between the E‐wave (early diastolic filling) and A‐wave (atrial contraction) in the waveform across the mitral valve. We also examined each trace that contained at least one waveform with a mitral gap and, first, noted the order of waveforms with a mitral gap relative to those without and, second, measured the A‐wave peak velocity in a representative waveform with a mitral gap and in one without. The second study was a prospective investigation in which Doppler velocity waveforms of the mitral valve inflow were assessed in 227 singleton pregnancies immediately before chorionic villus sampling.ResultsA mitral gap was observed in 16 (5.5%) of the chromosomally normal and in 25 (17.4%) of the trisomy 21 fetuses. The incidence of mitral gap was significantly associated with the presence of cardiac defects but not with thickness of NT. The median number of waveforms per recorded image was 6 (range, 3–7) and in 32 (78%) of the 41 traces with a mitral gap only one or two of the waveforms was abnormal. The abnormal waveforms were in the middle or at the end of the trace in 95% of cases and had a lower mean A‐wave peak velocity than did the normal waveforms (mean difference 3.7 cm/s; 95% CI, 0.3–7.0 cm/s; P = 0.03). In a prospective study of 10 normal fetuses we could produce a mitral gap deliberately by moving the sample volume out of the center of flow in the atrioventricular valve. In the prospective study of 227 pregnancies undergoing chorionic villus sampling a mitral gap was observed in 26/197 (13.2%) in which the fetal karyotype was subsequently found to be normal, 4/20 (20%) with trisomy 21 and 1/10 with other chromosomal defects.ConclusionsAt 11 + 0 to 13 + 6 weeks, a mitral gap may be more common in fetuses with trisomy 21 than in fetuses with a normal karyotype. However, it is possible that a mitral gap does not reflect an underlying hemodynamic abnormality, but is rather the result of suboptimal positioning of the Doppler sample volume as the fetus moves during acquisition. Copyright © 2007 ISUOG. Published by John Wiley & Sons, Ltd.
Assisted passive snake-like robots: conception and dynamic modeling using Gibbs–Appell method
Authors: Vossoughi Gholamreza , Pendar Hodjat , Heidari Zoya , Mohammadi Saman 
Published: October 2007

SUMMARYIn this paper, we present a novel structure of a snake-like robot. This structure enables passive locomotion in snake-like robots. Dynamic equations are obtained for motion in a horizontal plane, using Gibbs–Appell method. Kinematic model of the robot include numerous nonholonomic constraints, which can be omitted at the beginning by choosing proper coordinates to describe the model in Gibbs–Appell framework. In such a case, dynamic equations will be significantly simplified, resulting in considerable reduction of simulation time. Simulation results show that, by proper selection of initial conditions, joint angles operate in a limit cycle and robot can locomote steadily on a passive trajectory. It can be seen that the passive trajectory is approximately a Serpenoid curve.
Process Design and Optimization of Novel Wheat‐Based Continuous Bioethanol Production System
Authors: Arifeen Najmul , Wang Ruohang , Kookos Ioannis K. , Webb Colin , Koutinas Apostolis A. 
Published: October 2007

AbstractA novel design of a wheat‐based biorefinery for bioethanol production, including wheat milling, gluten extraction as byproduct, fungal submerged fermentation for enzyme production, starch hydrolysis, fungal biomass autolysis for nutrient regeneration, yeast fermentation with recycling integrated with a pervaporation membrane for ethanol concentration, and fuel‐grade ethanol purification by pressure swing distillation (PSD), was optimized in continuous mode using the equation‐based software General Algebraic Modelling System (GAMS). The novel wheat biorefining strategy could result in a production cost within the range of $0.96–0.50 gal−1 ethanol ($0.25–0.13 L−1 ethanol) when the production capacity of the plant is within the range of 10–33.5 million gal y−1 (37.85–126.8 million L y−1). The production of value‐added byproducts (e.g., bran‐rich pearlings, gluten, pure yeast cells) was identified as a crucial factor for improving the economics of fuel ethanol production from wheat. Integration of yeast fermentation with pervaporation membrane could result in the concentration of ethanol in the fermentation outlet stream (up to 40 mol %). The application of a PSD system that consisted of a low‐pressure and a high‐pressure column and employing heat integration between the high‐ and low‐pressure columns resulted in reduced operating cost (up to 44%) for fuel‐grade ethanol production.
A global review of the threat of
Phytophthora ramorum
infections and the prospects for effective control strategies.
Authors: Appiah A. A. 
Published: October 2007

Abstract

Phytopathogenic Oomycetes continue to demonstrate their historic dominance as major plant pathogens capable of causing serious epidemics in crops and forest ecosystems. The emergence of
Phytophthora ramorum
as a devastating non-host-specific pathogen of both ornamentals and forest tree species in North America and Europe has rekindled the continuous battle between man, through his activities that have tremendous impact on the natural ecological balance, and pathogens, which are constantly evolving, causing significant damage to plants. This paper provides a global up-to-date review of the threats of
P. ramorum
and the progress made in research and management efforts. It also discusses the need for continual vigilance and for serious consideration of new reports of unknown diseases and their associated pathogens, as these become established in our constantly changing ecosystem with severe consequences to man and his way of life.
Applications of horse genomics.
Authors: Bailey E. 
Published: October 2007

Abstract
Completion of the entire horse DNA sequence was a watershed event for horse research. From this time onwards, scientists need not clone and sequence genes before studying gene expression and genetic variation among horses. This information has become freely available online. Applications have already been made in the form of diagnostic tests for inherited diseases and coat colour patterns. As the field of genomics matures, we will begin to see applications for nonhereditary traits. Indeed, everything we do to a horse changes the set of genes expressed in muscle, lungs, liver, immune systems, gut and elsewhere. Understanding the impact of management on gene expression will lead to new management systems and therapeutic treatments to benefit the health and welfare of horses.
Using geographic information systems to assess pesticide risks to groundwater.
Authors: Salvucci A. E. , Walter M. T. 
Published: October 2007

Abstract
The increasing availability and subsequent use of geographic information system (GIS) technologies has shifted groundwater risk assessment from site-specific or field-scale analyses to watershed- and regional-scale evaluations. This review recognizes two primary categories of pesticide risk assessment: namely, vulnerability-index methods and physically-based simulation models. The critical challenge to future advances of groundwater risk assessment will be improving our understanding of how critical flow parameters are spatially distributed, especially potentially transient features such as macropores.
I/NI-calls for the exclusion of non-informative genes: a highly effective filtering tool for microarray data
Authors: Talloen Willem , Clevert Djork-Arné , Hochreiter Sepp , Amaratunga Dhammika , Bijnens Luc , Kass Stefan , Göhlmann Hinrich W.H. 
Published: October 2007

AbstractMotivation: DNA microarray technology typically generates many measurements of which only a relatively small subset is informative for the interpretation of the experiment. To avoid false positive results, it is therefore critical to select the informative genes from the large noisy data before the actual analysis. Most currently available filtering techniques are supervised and therefore suffer from a potential risk of overfitting. The unsupervised filtering techniques, on the other hand, are either not very efficient or too stringent as they may mix up signal with noise. We propose to use the multiple probes measuring the same target mRNA as repeated measures to quantify the signal-to-noise ratio of that specific probe set. A Bayesian factor analysis with specifically chosen prior settings, which models this probe level information, is providing an objective feature filtering technique, named informative/non-informative calls (I/NI calls).Results: Based on 30 real-life data sets (including various human, rat, mice and Arabidopsis studies) and a spiked-in data set, it is shown that I/NI calls is highly effective, with exclusion rates ranging from 70% to 99%. Consequently, it offers a critical solution to the curse of high-dimensionality in the analysis of microarray data.Availability: This filtering approach is publicly available as a function implemented in the R package FARMS (www.bioinf.jku.at/software/farms/farms.html).Contact: wtalloen@prdbe.jnj.comSupplementary information: Supplementary data are available at Bioinformatics online.
Design for disassembly: a critical twenty‐first century discipline
Authors: Bogue Robert 
Published: October 2007

PurposeThis paper aims to highlight the importance of the design for disassembly (DFD) concept and to consider the key DFD principles.Design/methodology/approachThis paper first considers the motivations for applying DFD. It then identifies and discusses the key DFD principles.FindingsThis paper shows that legislation and consumer pressure are driving product recycling and that DFD is a critical enabling technology. It shows that a series of simple design rules concerning product architecture, materials and fasteners can be used to implement DFD. It highlights the benefits arising from this strategy which include compliance with legislation and reduced component counts and material inventories.Originality/valueThis paper provides an insight into the motivations behind the use of DFD and describes the techniques used in its implementation.
Lessons learned: the recovery of a research collection after Hurricane Katrina
Authors: Ellis Jamie 
Published: October 2007

PurposeThe purpose of this paper is to explain the procedures taken by public library staff in response to extensive damage to a research collection due to a large natural disaster.Design/methodology/approachBased on the methodology used by one research collection in response to a large‐scale disaster, recommendations are presented in the paper for future disaster planning and creating an individualized disaster response.FindingsThe study finds that each institution develops different procedures in the wake of disasters, and creating a unique disaster plan and response is key to the successful recovery of collections.Research limitations/implicationsThe methods used in response to Hurricane Katrina may not necessarily correspond to other types of disasters or all institutions; however, planning for all types of disasters is encouraged. A selected bibliography is included that provides current resources on the subject.Practical implicationsMethods utilized in the Biloxi Public Library's response to Hurricane Katrina and lessons learned may be applicable to other institutions and the future of disaster response and collection recovery.Originality/valueWhile recounting the impact of Hurricane Katrina on one collection, there are recommendations for the future of disaster planning at the institutional level.
Valuing companies by cash flow discounting: ten methods and nine theories
Authors: Fernández Pablo 
Published: October 2007

PurposeThe aim of this paper is to answer the question: Do discounted cash flows valuation methods provide always the same value?Design/methodology/approachThis paper is a summarized compendium of ten methods including: free cash flow; equity cash flow; capital cash flow; adjusted present value; business's risk‐adjusted free cash flow and equity cash flow; risk‐free rate‐adjusted free cash flow and equity cash flow; economic profit; and economic value added.FindingsAll ten methods always give the same value.Research limitations/implicationsThe disagreements among the various theories of firm valuation arise from the calculation of the value of the tax shields (VTS). The paper analyses nine different theories.Originality/valueThe paper is an analysis of ten methods of company valuation using discounted cash flows and nine different theories about the VTS.
Third‐party logistics provider selection: insights from a Turkish automotive company
Authors: Göl Hakan , Çatay Bülent 
Published: October 2007

PurposeThe purpose of this paper is to highlight the efforts of a leading Turkish automotive company to restructure its supply chain for export parts.Design/methodology/approachThe paper presents hand‐on experiences of a pilot project conducted at Tofaş‐Fiat automotive company to redesign its logistics operations and to select a global logistics service provider, using an analytic hierarchy process for multi‐criteria decision‐making.Findings3PL providers in Turkey must improve their capabilities and act proactively in providing value‐adding services as the companies are becoming more demanding in their expectations in building strategic relationships.Research limitations/implicationsThe focus of the paper is on automotive supply chain for export parts, but the analysis as well as 3PL selection methodology may be successfully applied to other products in different settings and in other sectors.Practical implicationsCompanies must determine logistics goals and requirements prior to taking on a 3PL. The defined objectives will help to establish the criteria for 3PL selection. Some of these include IT capability, service quality, customer relationship, and cultural fit. This analysis helps the company to define the problem with its differing aspects rather than only financial considerations, to reflect the common mind of the team, to resolve conflicts between the differentiated departmental goals, and to bring objectivity to decisions via an analytical approach.Originality/valueThis paper provides some practical insights from an automotive company that attempts to streamline and efficiently run its supply chain through logistics outsourcing.