bluuebunny/crossref_metadata_2025_split huggingface dataset:
A practical guide to multidimensional wave digital algorithms using an example of fluid dynamics
Authors: Hetmanczyk Georg , Ochs Karlheinz 
Published: June 2010

AbstractThe wave digital concept for numerical integration of partial differential equations leads to algorithms with highly advantageous features as robustness, full localness and massive parallelism. However, the required synthesis of an internally multidimensionally passive reference circuit, from which the algorithm is derived, usually demands an in‐depth knowledge of circuit theory and a high level of intuition. In this practical guide, a step‐by‐step approach for the synthesis of such reference circuits is introduced to relax these requirements, using the nonlinear fluid dynamic equations as a nontrivial example. General implementation issues for the wave digital algorithm are discussed as well as applying arbitrary passive linear multistep methods in place of the commonly used trapezoidal rule. As an example, we take the well‐known numerically critical shock tube problem, the solution of which is problematic when the trapezoidal rule is used as unwanted oscillations occur. These oscillations are suppressed when using the second‐order accurate Gear method instead. Copyright © 2010 John Wiley & Sons, Ltd.
Hyper‐production of α‐amylase from agro‐residual medium with high‐glucose in SSF using catabolite derepressed Bacillus subtilis KCC103
Authors: Rajagopalan Gobinath , Krishnan Chandraraj 
Published: June 2010

AbstractIn Bacillus subtilis KCC103, α‐amylase is hyper‐produced and α‐amylase synthesis is not subject to catabolite repression. The α‐amylase was produced from KCC103 by solid‐state fermentation (SSF) using agro‐residues and oil cakes as growth substrates. The KCC103 was also tested for its resistance to repression by hyper level (>10% w/w) of glucose and xylose on α‐amylase production in SSF. Among growth media containing various combinations of agro‐residues, the medium with wheat bran and sunflower oil cake supported highest enzyme production (20700 IU (g dry wt)–1). The α‐amylase production was enhanced (4.2 folds) by optimizing the growth substrate and the process parameters: the optimal conditions were wheat bran:sun flower oil cake ratio‐1:1 (w/w), substrate particle size‐500 μm, substrate to flask volume‐1:100 (w/v), initial substrate moisture content‐90% (v/w), inoculum size‐35%, initial medium pH‐7.0, growth temperature‐37 °C and cultivation time‐48 h. α‐Amylase production was further enhanced up to 1.7 folds when SSF was carried out using optimized medium supplemented with sugars or yeast extract (1% w/v) under optimized conditions. Supplementation of biomass sugars, glucose or xylose at 20% (w/w), did not repress the synthesis of α‐amylase showing the hyper‐tolerance of KCC103 to repression by simple sugars on α‐amylase production in SSF. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Characterization of an extracellular alkaline lipase from Pseudomonas mendocina M‐37
Authors: Dahiya Praveen , Arora Pooja , Chaudhury Ashok , Chand Subhash , Dilbaghi Neeraj 
Published: June 2010

AbstractA strain of Pseudomonas mendocina producing extracellular lipase was isolated from soil. The bacterium accumulates lipase in culture fluid when grown aerobically at 30 °C for 24 h in a medium composed of olive oil (1%) as substrate. Pseudomonas mendocina lipase was optimally active at pH 9.0, temperature of 50 °C and was found to be stable between pH 7.0–11.0. The lipase was inhibited by detergents such as SDS and Tween‐80. The enzyme was stable in various organic solvents tested with maximum stability in chloroform followed by toluene and exhibited 1–3 regiospecificity for hydrolytic reaction. This lipase was capable of hydrolyzing a variety of lipidic substrates and is mainly active towards synthetic triglycerides and fatty acid esters that possess a butyryl group. Metal ions like Mg2+, Ca2+ and Na+ stimulated lipase activity, whereas, Cu2+, Mn2+ and Hg2+ ions caused inhibition. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Thermotolerance of germlings and mycelium of the insect‐pathogenic fungus Metarhizium spp. and mycelial recovery after heat stress
Authors: Rangel Drauzio E. N. , Fernandes Éverton K. K. , Dettenmaier Seth J. , Roberts Donald W. 
Published: June 2010

AbstractThe upper temperature limits for germination and growth were determined for Metarhizium acridum (ARSEF 324, 3341 and 3609), M. robertsii (ARSEF 2575), M. anisopliae (ARSEF 5749), and Aspergillus nidulans (ATCC 10074). Most of the Metarhizium species germinated well at 35 and 36 °C; however, compared to 28 °C, the growth was very slow (except ARSEF 5749 from Mexico, which germinated at 35 °C, but did not grow at 34 or 36 °C). Germination was severely impaired at 38 and 40 °C for all Metarhizium species. ARSEF 324 conidia were the most thermotolerant. Based on radial growth measurements, however, none of the M. anisopliae or M. robertsii isolates grew (produced visible colonies) during 10 days at 38 °C. All Metarhizium species kept at 38 and 40 °C for 10 days resumed growth when transferred to 28 °C, and they all sporulated. When the plates were held 10 days at 42 °C, however, only the two M. acridum isolates (ARSEF 324 and 3609) grew after returning to 28 °C, but with some delay. Conidia germinated at restrictive temperatures, but the growth was impaired or discontinued soon after germination. Nevertheless, when transferred to a permissive temperature, they produced colonies and new conidia. In contrast, the thermophilic A. nidulans germinated and grew well at 42 °C, and therefore was much more thermotolerant than any of the Metarhizium spp. isolates. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Mating‐type orthologous genes in the primarily homothallic Moniliophthora perniciosa, the causal agent of Witches' Broom Disease in cacao
Authors: Kües Ursula , Navarro‐González Mónica 
Published: June 2010

AbstractThe cacao‐pathogenic Moniliophthora perniciosa C‐biotype is a primarily homothallic Agaricomycete of which the genome has recently become available. Searching of the genome sequence with mating type proteins from other basidiomycetes detected one or possibly two potential genes for HD1 homeodomain transcription factors, 7 or possibly 8 genes for potential pheromone receptors and five genes for putative pheromone precursors. Apparently, the fungus possesses gene functions encoded in the tetrapolar basidiomycetes in the A and B mating loci, respectively. In the tetrapolar species, the A and B mating type genes govern formation of clamp cells at hyphal septa of the dikaryon and their fusion with sub‐apical cells as well as mushroom production. The C‐biotype forms fused clamp cells and also basidiocarps on mycelia germinated from basidiospores and their development might be controlled by the detected genes. It represents the first example of a primarily homothallic basidiomycete where A ‐ and B ‐mating‐type‐like genes were found. Various strategies are discussed as how self‐compatibility in presence of such genes can evolve. An A ‐mating‐type like gene for an HD2 homeodomain transcription factor is, however, not included in the available sequence representing estimated 69% coverage of the haploid genome but there are non‐mating genes for other homeodomain transcription factors of currently unknown function that are conserved in basidiomycetes and also various ascomycetes. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Bacteriophage analysis of staphylokinase‐negative Staphylococcus aureus strains isolated from people
Authors: Piechowicz Lidia , Galin’︁ski Janusz , Garbacz Katarzyna , Haras Krystyna 
Published: June 2010

AbstractStaphylokinase is one of virulence factors produced by Staphylococcus aureus strains. Producing it is associated with the presence of prophage in a bacterial cell which carries the sak gene. In this study, we examined the ability to produce staphylokinase by 257 S. aureus strains isolated from the inpatient and the outpatients (carriers) and the fact whether there is a correlation between sensitivity to bacteriophages and the lack of producing staphylokinase by strains. The results of this study showed, that staphylokinase‐negative strains of S.aureus are widely common inpatients and among outpatients and their percentage does not usually exceed 20% of staphylococci. All staphylokinase‐negative S. aureus strains were negative for sak gene. The correlations between a type of clinical material and the frequency of occurrence of staphylokinase‐negative strains has not been stated. Typing with the use of the basic set of phages has shown that these strains do not constitute a homogenous group and they belong to different phage types. The same phage patterns occur both in staphylokinase‐negative strains and in staphylokinase‐positive strains, and the differences in phage types have the quantitative character. S.aureus not producing staphylokinase are more frequently common in the phage group II than other phage groups (p < 0.0001) and are typed mainly by 3C and 55 phages. Staphylokinase‐negative strains of S. aureus do not occur among the phage group II of strains sensitive to phage 71. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Raman polarization analysis of highly crystalline polyethylene fiber
Authors: Puppulin Leonardo , Takahashi Yasuhito , Zhu Wenliang , Pezzotti Giuseppe 
Published: June 2010

AbstractThe complex orientation dependence in space of Raman active vibrations in the orthorhombic structure of polyethylene (PE) is discussed in terms of Raman tensor elements as intrinsic physical parameters of the lattice. Building upon the symmetry assignment of these vibrational modes, we systematically studied, from both theoretical and experimental viewpoints, the changes of polarized intensity for the Ag and the B2g + B3g vibrational modes with respect to PE molecular orientation. After explicitly expanding the Raman selection rules associated with the Ag and the B2g + B3g modes, introducing them into general expressions of the orientation distribution function, and validating them by means of a least‐square fitting procedure on experimental data, we compare here two mesostructural models for a highly crystallized and self‐aligned PE fiber structure. Stereological arguments are shown concerning the arrangement of orthorhombic fibrils in such a sample that unfold the correct values of five independent Raman tensor elements for orthorhombic PE. Copyright © 2010 John Wiley & Sons, Ltd.
Advances in Raman mapping of works of art
Authors: Ropret Polonca , Miliani Costanza , Centeno Silvia A. , Tavzes Črtomir , Rosi Francesca 
Published: June 2010

AbstractRaman mapping can provide molecular information to complement data derived from other analytical techniques in works of art and other objects of cultural significance. Raman mapping can be performed using a motorized microscope stage that moves a sample or an object point by point in two spatial directions. The method can be used both noninvasively in works of art that fit under a microscope objective and in microsamples when, for example, obtaining information on the samples' layering structure is necessary. This paper reports on the development of a Raman mapping approach based on a set of scanning mirrors that direct the laser beam in two spatial directions, vertically through the microscope head or through a horizontal exit on the Raman microspectrometer. The first configuration still has limitations in terms of the size of the work of art that can be analyzed, as it has to fit under the microscope objective, but considerably larger objects can be studied when using the scanning mirrors placed in the horizontal exit. In this paper, the advantages and limitations of these two Raman mapping approaches are compared and discussed on the basis of an example of a contemporary oil painting on canvas. Copyright © 2010 John Wiley & Sons, Ltd.
Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl‐Pyranones
Authors: Bhhatarai Barun , Garg Rajni , Gramatica Paola 
Published: June 2010

AbstractTwo parallel approaches for quantitative structure‐activity relationships (QSAR) are predominant in literature, one guided by mechanistic methods (including read‐across) and another by the use of statistical methods. To bridge the gap between these two approaches and to verify their main differences, a comparative study of mechanistically relevant and statistically relevant QSAR models, developed on a case study of 158 cycloalkyl‐pyranones, biologically active on inhibition (Ki) of HIV protease, was performed. Firstly, Multiple Linear Regression (MLR) based models were developed starting from a limited amount of molecular descriptors which were widely proven to have mechanistic interpretation. Then robust and predictive MLR models were developed on the same set using two different statistical approaches unbiased of input descriptors. Development of models based on Statistical I method was guided by stepwise addition of descriptors while Genetic Algorithm based selection of descriptors was used for the Statistical II. Internal validation, the standard error of the estimate, and Fisher’s significance test were performed for both the statistical models. In addition, external validation was performed for Statistical II model, and Applicability Domain was verified as normally practiced in this approach. The relationships between the activity and the important descriptors selected in all the models were analyzed and compared. It is concluded that, despite the different type and number of input descriptors, and the applied descriptor selection tools or the algorithms used for developing the final model, the mechanistical and statistical approach are comparable to each other in terms of quality and also for mechanistic interpretability of modelling descriptors. Agreement can be observed between these two approaches and the better result could be a consensus prediction from both the models.
Pharmacophores in Drug Research
Authors: Langer Thierry 
Published: June 2010

AbstractThe pharmacophore concept in modern drug research is highlighted and the most important use examples and success stories are reviewed. These include papers from method development as well as from application areas. As indicated by the number of publications available, the pharmacophore approach has proven to be extremely useful as interface between medicinal and computational chemistry, both in virtual screening and library design for efficient hit discovery, but also in the optimization of lead compounds to clinical candidates. Recent studies focus on the usage of parallel screening using pharmacophore models for bio‐activity profiling and early stage risk assessment of potential side effects and toxicity due to interaction of drug candidates with anti‐targets.
Towards Proteome–Wide Interaction Models Using the Proteochemometrics Approach
Authors: Strömbergsson Helena , Lapins Maris , Kleywegt Gerard J. , Wikberg Jarl E. S. 
Published: June 2010

AbstractA proteochemometrics model was induced from all interaction data in the BindingDB database, comprizing in all 7078 protein‐ligand complexes with representatives from all major drug target categories. Proteins were represented by alignment‐independent sequence descriptors holding information on properties such as hydrophobicity, charge, and secondary structure. Ligands were represented by commonly used QSAR descriptors. The inhibition constant (pKi) values of protein‐ligand complexes were discretized into “high” and “low” interaction activity. Different machine‐learning techniques were used to induce models relating protein and ligand properties to the interaction activity. The best was decision trees, which gave an accuracy of 80 % and an area under the ROC curve of 0.81. The tree pointed to the protein and ligand properties, which are relevant for the interaction. As the approach does neither require alignments nor knowledge of protein 3D structures virtually all available protein‐ligand interaction data could be utilized, thus opening a way to completely general interaction models that may span entire proteomes.
The role of endothelial nitric oxide synthase (eNOS) T‐786C, G894T, and 4a/b gene polymorphisms in the risk of idiopathic male infertility
Authors: Safarinejad Mohammad Reza , Shafiei Nayyer , Safarinejad Saba 
Published: June 2010

AbstractA considerable number of infertile men have no known mechanism for their infertility. This study aims to examine if there is an association between endothelial nitric oxide synthase (eNOS) T‐786C, G894T, and 4a/b gene polymorphisms and idiopathic male infertility. Three hundred fifty‐two men with idiopathic infertility (mean age 32.4 ± 11.4 years) and 356 healthy controls (mean age 33.2 ± 11.6 years) with documented fertility were recruited in this study. Genotypes for T‐786C, G894T, and 4a/b gene polymorphisms were identified by the polymerase chain reaction–restriction fragment length polymorphism (PCR‐RFLP) analysis. The eNOS −786CC genotype (0.310 vs. 0.081; odds ratio (OR), 3.64; 95% confidence interval (CI), 2.28–4.46; P = 0.001), 894TT genotype (0.131 vs. 0.006; OR, 3.62; 95% CI, 2.68–4.87; P = 0.001) and 4aa genotype (0.128 vs. 0.009; OR, 2.82; 95% CI, 1.88–3.89; P = 0.004) were significantly more frequent in infertile subjects. Furthermore, there was a significant difference between the group of infertile patients with azoospermia and oligoasthenoteratozoospermia (OAT) when compared by genotype distribution (−786CC vs. 786TT, 894TT vs. 894GG, and 4aa vs. 4bb) (all P < 0.01). We also found an association between the eNOS “−786C,” “894T,” and “a” alleles and an increased risk of poor semen parameters. Our data revealed a significant relationship between eNOS genotypes and the phenotype of infertility. Mol. Reprod. Dev. 77: 720–727, 2010. © 2010 Wiley‐Liss, Inc.
Dynamic roles of ion currents in early development
Authors: Tosti Elisabetta 
Published: June 2010

AbstractExcitable cells have the capacity to modify their electrical properties in response to different stimuli. This specific feature is due to a flux of ion currents that flow via ion channels in the plasma membrane. In all species so far studied, ion channels are proteins expressed in the zygote and in the blastomeres of the developing embryo, and their activity is subject to dynamic changes throughout the early cleavage stages. Although these complex patterns imply that ion currents play a role in signal transduction and the control of embryogenesis, a specific developmental function for the appearance, loss, and alterations of the channels remains to be elucidated. This review reports several aspects surrounding the involvement of ion currents in early embryo development, from invertebrates to human. It focuses on the occurrence, modulation, and dynamic role of ion fluxes through external, intra‐ and inter‐cellular ion channels from the zygote up to the blastula and pre‐implantation stages. The implications for a role of ion currents in development, and their possible clinical and technological applications are discussed. Mol. Reprod. Dev. 77:856–867, 2010. © 2010 Wiley‐Liss, Inc.
Increased word‐of‐mouth via strategic cause‐related marketing
Authors: Lee Thomas Michael , Mullen Linda Greef , Fraedrich John 
Published: June 2010

Abstract

This research examines word‐of‐mouth (WOM) promotions as an additional consequence of a successful cause‐related marketing (CRM) partnership. Firms properly aligned in CRM partnerships should increase positive feelings that can translate into positive WOM from the public. WOM efforts should be considered in marketing campaigns to develop successful long‐term CRM strategies. Additionally, carefully planned CRM campaigns with positive WOM give firms a competitive advantage without the backlash of consumer skepticism often reported when firms attempt to manipulate WOM campaigns. This study is grounded in associative learning theory which provides support for the strengthened associative links between firm and charity when the relationship is properly aligned. This empirical study suggests that strategically aligned CRM relationships can improve positive WOM recommendations. Results of ANOVA and factor analysis indicate that consumers are more receptive to CRM partnerships that consist of compatibility between firm and charity that persist over time. Results suggest that consumers are more likely to recommend the more properly aligned partnerships to others.
Copyright © 2010 John Wiley & Sons, Ltd.
A possible massacre at Early Bronze Age Titriş Höyük, Anatolia
Authors: Erdal Ö.D. 
Published: June 2010

AbstractTrauma is among the most important sources of data providing information related to systematic violence, battles and massacres among ancient populations. In this study, a mass grave from Titriş Höyük in the Southeast Anatolia was examined in terms of cranial traumas. Skeletal remains of minimum 19 individuals were placed on a plaster basin as a secondary interment. The frequency of cranial trauma was 81.3% among 16 available adult crania. The fact that the perimortem traumas were observed on both sex groups and the presence of two children and an infant on the basin suggest the possibility of these individuals being subjected to an attack or a massacre. It has been determined that the frequency of traumas in the common burials increased more than twofold from Early‐Mid EBA (6.7%) to Late EBA (14.3%). While all of the injuries observed in Early‐Mid EBA were in the form of healed depressed trauma, penetrated traumas were also encountered in Late EBA. The increased frequency of cranial trauma with unusual interment on a plaster basin indicated that a social stress might have taken place in Titriş Höyük. It is concluded that the collapse of the Akkadian Empire, the deterioration of the trade‐based economy and resource stress might have been possible factors that played a role in the excessive violence, or a massacre in Titriş Höyük. Copyright © 2010 John Wiley & Sons, Ltd.
The effect of electron beam irradiation on dynamic shear rheological behavior of a poly (propylene‐co‐ethylene) heterophasic copolymer
Authors: Koosha Mojtaba , Jahani Yousef , Mirzadeh Hamid 
Published: June 2010

AbstractIn this study the effect of electron beam irradiation on rheological properties of a poly (propylene‐co‐ethylene) heterophasic copolymer is evaluated. Using dynamic viscoelastic measurement in the linear viscoelastic range of deformation, it is observed that the complex viscosity and dynamic modulus of polypropylenes were decreased by increasing the irradiation dose. Polypropylene heterophasic copolymers consist of ethylene propylene rubber phase dispersed in polypropylene homopolymer matrix. The high energy electron beams simultaneously affect both isotactic polypropylene (iPP) matrix and ethylene propylene dispersed phase. The molecular chains of polypropylene homopolymer phase breakdown to smaller species, those are prone to degradation and branching as well. Increase in the melt flow rate behavior and shifting the cross‐over point to higher frequencies and increase in melt strength are due to this phenomenon. At the same time, the ethylene propylene phase of the polypropylene copolymer cross‐links due to irradiation, and a significant effect on the rheological behavior of samples are observed. The mathematical modeling of complex viscosity behavior revealed the conformity of experimental data with modified Carreau equation. Copyright © 2010 John Wiley & Sons, Ltd.