bluuebunny/crossref_metadata_2025_split huggingface dataset:
Microcellular extrusion‐foaming of polylactide with chain‐extender
Authors: Pilla Srikanth , Kim Seong G. , Auer George K. , Gong Shaoqin , Park Chul B. 
Published: June 2009

AbstractThe effects of adding epoxy‐functionalized chain‐extender (CE) and processing conditions such as die temperature on the cell morphology, volume expansion ratio (VER), open cell content (OCC), and crystallization of microcellular extruded polylactide (PLA) were investigated. When compared with pure PLA, the addition of talc decreased the average cell size and increased the cell density. Moreover, the simultaneous addition of talc and CE led to denser and more uniform cell structure up until 1.0% CE content. In general, the volume expansion ratio and open cell content of all the formulations decreased with the die temperature. The addition of talc decreased both VER and OCC, whereas the addition of CE increased both. The die temperature did not affect the degree of crystallinity significantly. The addition of talc increased the crystallinity, but the addition of CE decreased it. Finally, the molecular weight of PLA increased significantly with the addition of CE. POLYM. ENG. SCI., 2009. © 2009 Society of Plastics Engineers
Optimal sizing of photovoltaic‐hydro power plant
Authors: Glasnovic Zvonimir , Margeta Jure 
Published: June 2009

AbstractThe work presents a technological concept of energetically independent and ecologically sustainable system of electric energy production by joint operation of photovoltaic (PV) and hydro electric (HE) power plant as a unique technological system of solar hydroelectric (SHE) power plant. The sustainability of such system is based exclusively on the solar energy input, as the renewable and pure energy resource, and the use of hydro energy, due to the possibility of its continuous production of energy and its well‐known flexibility in covering the consumers' needs. For the purpose of connecting all relevant values into one integral SHE system, a mathematical model was developed for selecting the optimal size of the PV power plant as the key element for estimating the technological feasibility of the overall solution. The model was tested on electric energy supply from the island of Vis in Croatia. The obtained power of the PV power plant was 41 MWpwhich corresponds to collector field of approximately 25 ha, while the estimated related storage was 20 hm3. The results show that the subject model describes the SHE very well and that the proposed concept of joint operation of PV and HE power plants is real and possible. The application of such sustainable SHE systems could significantly increase PV industry worldwide, i.e. the share of solar energy in energy balances of numerous countries. Proposed hybrid simulation‐dynamic programming model is suitable to optimize PV plant in accordance with system characteristics. Copyright © 2009 John Wiley & Sons, Ltd.
Mass Flow Discharge and Total Temperature Characterisation of a Pyrotechnic Gas Generator Formulation for Airbag Systems
Authors: Neutz Jochen , König Andreas , Knauss Helmut , Jordan Sebastian , Rödiger Tim , Smorodsky Boris , Blümcke Erich Walter 
Published: June 2009

AbstractThe mass flow characteristics of gas generators for airbag applications have to comply with a number of requirements for an optimal deployment of the airbag itself. Up to now, the mass flow was determined from pressure time histories of so‐called can tests. This procedure suffers from the missing knowledge on the temperature of the generated gas entering the can. A new test setup described in this paper could overcome this problem by providing highly time resolved information on the gas's total temperature and the mass flow of the generator. The test setup consisted of a combustion chamber with a specially designed Laval nozzle in combination with a temperature sensor of high time resolution. The results showed a high time resolved temperature signal, which was disturbed by the formation of a slag layer on the sensor. Plausibility considerations with experimentally and thermodynamically determined combustion temperatures led to satisfying results for the overall temperature as characteristic parameter of airbag inflating gases flows from pyrotechnics.
Results from Research Collaboration – A Review over 20 Years
Authors: Cumming Adam S. 
Published: June 2009

AbstractOver the last twenty years, the level of international research collaboration on military energetic materials has increased significantly and has been reported in the literature. It is time to look at what has been done and to critically examine that benefits that it has produced. The range of programmes has covered the whole range of energetic materials and in addition to the study of new materials and new forms of materials, it has covered modelling as well as standards and protocols. Programmes have ranged from pressed explosives to rocket propellants and from IM technology to environmental and life management. It can be argued that these programmes have provided the participating nations with materials as well as the understanding to better manage their behaviour and use. Without this range of activity, significantly less would have been achieved. This will be discussed in the light of a selection of published papers and reports.
Morphological transition of proliferative inflammatory atrophy to high‐grade intraepithelial neoplasia and cancer in human prostate
Authors: Wang Wanzhong , Bergh Anders , Damber Jan‐Erik 
Published: June 2009

AbstractBACKGROUNDInflammation has been implicated as a potential etiological agent in human prostate cancer (PCa). Proliferative inflammatory atrophy (PIA) in prostate consists of areas of glandular atrophy associated with chronic inflammation and epithelial cell proliferation. It has been suggested that PIA is a candidate precursor of prostate malignancy. We aimed to explore the morphological transition between PIA and co‐existing high‐grade prostate intraepithelial neoplasia (HGPIN) and/or PCa.METHODSSerial slides of 50 whole‐mounted radical prostatectomies were studied with H&E staining and immunostaining of cytokeratin 5 (CK5), glutathione S‐transferase pi (GSTP1), hepatocyte growth factor receptor (c‐MET), CCAAT/enhancer binding protein β (C/EBPβ), and Ki‐67. Utilizing immunohistochemical stains to examine HGPIN, PIA‐merging HGPIN, and PIA‐merging PCa lesions, respectively.RESULTSA total of 1,188 HGPIN lesions were identified, of which 17% (198) were in the morphological process of merging with PIA. Thirty‐six PIA‐merging PCa lesions were also detected. The atrophic epithelial cells in such merging lesions had increased Ki‐67 index and an intermediate phenotype: increased expression for CK5, GSTP1, c‐MET, and C/EBPβ. In addition, clusters of atypical epithelial cell hyperplasia, that is, with nuclear enlargement, hyperchromasia, and prominent nucleoli, were found in 16 PIA lesions. Such clusters of atypical cells that meet the criteria for HGPIN still expressed CK5 and were adjacent to focal chronic inflammation.CONCLUSIONSDirect morphological transition between PIA and HGPIN and/or PCa was present. The atrophic cells in these merging lesions had an intermediate phenotype. Clusters of atypical epithelial cell hyperplasia might represent the earliest transition from PIA to HGPIN. Prostate 69: 1378–1386, 2009. © 2009 Wiley‐Liss, Inc.
Elucidating the exact role of engineered CRABPII residues for the formation of a retinal protonated Schiff base
Authors: Vasileiou Chrysoula , Wang Wenjing , Jia Xiaofei , Lee Kin Sing Stephen , Watson Camille T. , Geiger James H. , Borhan Babak 
Published: June 2009

AbstractCellular Retinoic Acid Binding Protein II (CRABPII) has been reengineered to specifically bind and react with all‐trans‐retinal to form a protonated Schiff base. Each step of this process has been dissected and four residues (Lys132, Tyr134, Arg111, and Glu121) within the CRABPII binding site have been identified as crucial for imine formation and/or protonation. The precise role of each residue has been examined through site directed mutagenesis and crystallographic studies. The crystal structure of the R132K:L121E‐CRABPII (PDB‐3I17) double mutant suggests a direct interaction between engineered Glu121 and the native Arg111, which is critical for both Schiff base formation and protonation. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Quantum transport calculations using complex absorbing potentials
Authors: Varga K. 
Published: June 2009

AbstractThe quantum transport problem in an infinite open system can be solved in a closed finite system by adding a complex absorbing potential to the Hamiltonian deep inside the leads. The efficiency and usefulness of this approach is demonstrated by transport calculations for various systems including metallic wire, carbon nanotube, and molecular junction nanodevices. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Preface: Phys. Status Solidi C 6/6
Authors: Walther Martin , Ambacher Oliver 
Published: June 2009

AbstractThe present issue of physica status solidi (c) contains papers presented at the 35th International Symposium on Compound Semiconductors (ISCS 2008). The symposium was held 21–24 September 2008 at the Europa‐Park in Rust, Germany. This conference is one in an annual series, which has in the past rotated between the United States, Europe and Asia and was organized for the second time at the Europa‐Park. The last three conferences were held in Kyoto, Japan (2007), Vancouver, Canada (2006) and Rust, Germany (2005). The history of the symposium goes back to 1966 when the first “International Symposium on GaAs and Related Compounds” took place in Reading, England.The scope of the meeting includes both science and technology and the entire spectrum of III–V and II–VI compound semiconductors as well as SiGe, SiC and carbon related materials. The symposium was attended by 130 registered participants from 17 countries with 26% from Asia, 12% from America and 62% from Europe.A total of 101 papers were presented at the symposium including 4 plenary talks, 13 invited talks, 41 contributed talks and 43 poster presentations. The conference was opened with a plenary session to highlight current research activities within the German “excellence initiative” at the Universities of Aachen, Karlsruhe and Konstanz. Reinhart Proprawe opened this series with his view on “Reaching excellence in university R&D – The institutional strategy of RWTH Aachen 2020”, followed by a presentation on “Photonic metamaterials: Optics starts walking on two feet” by Martin Wegener from the University of Karlsruhe. Alfred Leitenstorfer highlighted application oriented research in a paper entitled “The Konstanz center for Applied Photonics: Bridging the gap between fundamental research and high tech industry”, followed by the industrial view of Stefan Illek on “Light from crystals – Light emitting diodes are penetrating our everyday life”.Three prestigious research awards were presented at the symposium, the Welker Award, the Quantum Device Award, and the Young Scientist Award.We thank all the participants as well as the Program Committee members of ISCS 2008 for contributing to the success of the meeting. Finally, we extend our thanks to the Local Organizing Committee for the excellent organization of the symposium.The 36th International Symposium on Compound Semiconductors will be organized by Umesh Mishra and will be held at the University of California at Santa Barbara, on 31 August–2 September 2009 (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Strengthening the understanding of the relationship between survival designs and test statistics
Authors: Ma Guoguang , Ganju Jitendra 
Published: June 2009

AbstractIn the planning of randomized survival trials, the role of follow‐up time of trial participants introduces a level of complexity not encountered in non‐survival trials. Of the two commonly used survival designs, one design fixes the follow‐up time whereas the other allows it to vary. When the follow‐up time is fixed the number of events varies. Conversely, when the number of events is fixed, the follow‐up time varies. These two designs influence test statistics in ways that have not been fully explored resulting in a misunderstanding of the design–test statistic relationship. We use examples from the literature to strengthen the understanding of this relationship. Group sequential trials are briefly discussed. When the number of events is fixed, we demonstrate why a two‐sample risk difference test statistic reduces to a one‐sample test statistic which is nearly equal to the risk ratio test statistic. Some aspects of fixed event designs that need further consideration are also discussed. Copyright © 2009 John Wiley & Sons, Ltd.
Sample size calculation for an agreement study
Authors: Liao Jason J. Z. 
Published: June 2009

AbstractIt is often necessary to compare two measurement methods in medicine and other experimental sciences. This problem covers a broad range of data. Many authors have explored ways of assessing the agreement of two sets of measurements. However, there has been relatively little attention to the problem of determining sample size for designing an agreement study. In this paper, a method using the interval approach for concordance is proposed to calculate sample size in conducting an agreement study. The philosophy behind this is that the concordance is satisfied when no more than the pre‐specified k discordances are found for a reasonable large sample size n since it is much easier to define a discordance pair. The goal here is to find such a reasonable large sample size n. The sample size calculation is based on two rates: the discordance rate and tolerance probability, which in turn can be used to quantify an agreement study. The proposed approach is demonstrated through a real data set. Copyright © 2009 John Wiley & Sons, Ltd.
Improvement of Site of Metabolism Predictions for CYP3A4 by Using Discriminant Analysis of Compound Preference of CYP3A4 X‐Ray Structural Conformers and Subsequent Docking
Authors: Prusis Peteris , Afzelius Lovisa 
Published: June 2009

AbstractMetabolism plays a significant role in failure of drugs to carry out their intended action in the body. Drugs and other xenobiotics in the body are mainly biotransformed through oxidation reactions catalyzed by cytochrome P450 enzymes, in particular the CYP3A4 isoform. This enzyme is well known for its very wide substrate specificity and promiscuity. Understanding where in a compound's structure the enzymatic oxidation would take place, i.e. site of metabolism (SOM), is crucial for successful modification of molecules in order to avoid unwanted metabolism. Several in silico methods have been developed for SOM predictions including docking based methods. One of the benefits of docking based methods is that they provide insight into the structure of the drug‐enzyme complex. However, crystallographic studies of CYP3A4 have showed that the structure of this enzyme may obtain substantially different conformations depending on the structure of the ligand it is cocrystallized with. Therefore, it is not straight forward to decide which of the different crystal structures of CYP3A4 should be used for SOM prediction when using docking methods. Here we show that simple discriminative models allow selection of CYP3A4 structural conformer to yield better SOM predictions for each individual substrate.
Relationship Between Structure and Permeability in Artificial Membranes: Theoretical Whole Molecule Descriptors in Development of QSAR Models
Authors: Tulp Indrek , Sild Sulev , Maran Uko 
Published: June 2009

AbstractThe relationships between structure and passive permeability in artificial membranes were studied using a structurally diverse data set of 60 compounds. The potential of whole molecule descriptors in the development of QSAR models was explored and the respective five‐parameter model is presented for the modeling of permeability. The presented QSAR model is validated internally and externally. Descriptors in the model include the hydrogen bonding ability which is solely connected with water solubility, hence hydrophilicity. In addition, the charge distribution, polarizability, and shape of molecules are also described by the descriptors. Insight is given into the structural characteristics that determine the passive mechanism of permeability.
Cl–π Interactions in Protein–Ligand Complexes
Authors: Imai Yumi N. , Inoue Yoshihisa , Nakanishi Isao , Kitaura Kazuo 
Published: June 2009

AbstractA geometry analysis of Cl–π interactions in protein–ligand complex crystal structures, showed two distinct geometries: “edge‐on” approach of a Cl atom to a ring atom or CC bond and “face‐on” approach towards the ring centroid, with an average interatomic distance of 3.6 Å. The interaction energies were estimated as a sum of the CCSD(T) correlation contribution and the Hartree–Fock energy at the complete basis set limit, for the geometries of the benzene–chlorohydrocarbon model structures at the energy minimum obtained by potential energy surface scans using RMP2(FC)/cc‐pVTZ. The calculated Cl–π interaction energy was −2.01 kcal/mol, and the dispersion force was found to be the major source of attraction. We also discuss the geometry flexibility in Cl–π interactions.
A QSAR Study on Indole‐Based PPAR‐γ Agonists in Respect to Receptor Binding and Gene Transactivation Data
Authors: Giaginis Costas , Theocharis Stamatios , Tsantili‐Kakoulidou Anna 
Published: June 2009

AbstractMultivariate data analysis (MVDA) was applied on a set of 160 indole‐based PPAR‐γ agonists for modeling receptor binding (pKi) and gene transactivation (pEC50) data. A pool of descriptors based on easily interpretable physicochemical, molecular and constitutional properties, including drug‐like characteristics was used. A PLS model with satisfactory and robust statistics was produced for pKi data, while the inferior quality of pEC50 model reflected the higher complexity associated with transactivation process. In both PLS models, lipophilicity, molecular weight and the number of halogens exerted a significant positive effect in activity, while molecules should preferably be compact and less flexible. An activity‐activity model was further established using multiple regression analysis, which improved the interrelationship between pEC50 and pKi.
Successful Application of OPLS‐DA for the Discrimination of Wild‐Type and Mutated Cells in Acute Lymphoblastic Leukemia
Authors: Molteni Claudio Giuseppe , Cazzaniga Giovanni , Condorelli Daniele F. , Fortuna Cosimo G. , Biondi Andrea , Musumarra Giuseppe 
Published: June 2009

AbstractOPLS‐DA was successfully applied to select of a limited number of gene transcripts necessary to discriminate wild type and mutated cells in ALL patients. In the above list it was possible to identify candidate genes that could be involved in the molecular mechanisms linking PTPN11 and RAS mutations to B‐ALL genesis. OPLS‐DA and SIMCA classification provide a set of 50 and 77 variables respectively suitable to discriminate wild type from mutated cells in ALL patients.
Classification of Blood‐Brain Barrier Permeation by Kohonen's Self‐Organizing Neural Network (KohNN) and Support Vector Machine (SVM)
Authors: Wang Zhi , Yan Aixia , Yuan Qipeng 
Published: June 2009

AbstractKohonen's self‐organizing neural network (KohNN) method and support vector machine (SVM) classification method were used to build blood‐brain barrier permeation prediction model, respectively. Based on five 2D property autocorrelation descriptors, several models have been built which were able to classify BBB penetration and nonpenetration compounds with the accuracy of over 96%.
Ultrasmall Liquid Droplets on Solid Surfaces: Production, Imaging, and Relevance for Current Wetting Research
Authors: Méndez‐Vilas Antonio , Jódar‐Reyes Ana Belén , González‐Martín María Luisa 
Published: June 2009

AbstractThe investigation of micro‐ and nanoscale droplets on solid surfaces offers a wide range of research opportunities both at a fundamental and an applied level. On the fundamental side, advances in the techniques for production and imaging of such ultrasmall droplets will allow wetting theories to be tested down to the nanometer scale, where they predict the significant influence of phenomena such as the contact line tension or evaporation, which can be neglected in the case of macroscopic droplets. On the applied side, these advances will pave the way for characterizing a diverse set of industrially important materials such as textile or biomedical micro‐ and nanofibers, powdered solids, and topographically or chemically nanopatterned surfaces, as well as micro‐and nanoscale devices, with relevance in diverse industries from biomedical to petroleum engineering. Here, the basic principles of wetting at the micro‐ and nanoscales are presented, and the essential characteristics of the main experimental techniques available for producing and imaging these droplets are described. In addition, the main fundamental and applied results are reviewed. The most problematic aspects of studying such ultrasmall droplets, and the developments that are in progress that are thought to circumvent them in the coming years, are highlighted.magnified image
Direct Laser Patterning of Soft Matter: Photothermal Processing of Supported Phospholipid Multilayers with Nanoscale Precision
Authors: Mathieu Mareike , Schunk Daniel , Franzka Steffen , Mayer Christian , Hasselbrink Eckart , Hartmann Nils 
Published: June 2009

AbstractDirect laser patterning of supported phospholipid multilayers is investigated. Spin coating is used to fabricate stacked bilayers of 1,2‐dioleoyl‐sn‐glycero‐3‐phosphate (DOPA). Photothermal processing with a focused laser beam at λ = 514 nm allows removal of the coating at predefined positions without causing any significant change in adjacent areas. Moreover, processing with nanoscale precision is feasible despite the soft and fluid nature of phospholipid films. In particular, holes with diameters from 1.8 µm down to 300 nm and below are fabricated by using a 1/e2 laser spot size of about 2.5 µm. In addition, patterning is also very flexible and can be carried out over macroscopic length scales and at short processing times. Considering these features photothermal laser processing constitutes a powerful tool for micro‐ and nanopatterning of phospholipid films.
A dependency constraint language to manage object‐oriented software architectures
Authors: Terra Ricardo , Valente Marco Tulio 
Published: June 2009

AbstractThis paper presents a domain‐specific dependency constraint language that allows software architects to restrict the spectrum of structural dependencies, which can be established in object‐oriented systems. The ultimate goal is to provide architects with means to define acceptable and unacceptable dependencies according to the planned architecture of their systems. Once defined, such restrictions are statically enforced by a tool, thus avoiding silent erosions in the architecture. The paper also presents results from applying the proposed approach to different versions of a real‐world human resource management system. Copyright © 2009 John Wiley & Sons, Ltd.