bluuebunny/crossref_metadata_2025_split huggingface dataset:
Towards a space mapping approach to dynamic compressor optimization of gas networks
Authors: Banda Mapundi K. , Herty Michael 
Published: March 2010

AbstractThe goal of this paper is to present an efficient approach for dynamic compressor optimization in gas networks based on a space mapping approach. For the fine space a non‐linear isothermal gas flow model is employed, whereas for the coarse‐space model an algebraic model is applied. To solve an optimization problem with the nonlinear model is expensive. Nevertheless we desire to bring as much nonlinear effects into the optimization process as possible. The mathematical formulation and algorithmic aspects of a space mapping technique are developed. A framework in which such can be achieved for compressible isothermal gas flow is presented. Computational results and comparison between different approaches are presented. The results demonstrate that such a multi‐level approach provides more accurate results efficiently. Copyright © 2010 John Wiley & Sons, Ltd.
Polymer nanoparticles: their effect on rheological, thermal, and mechanical properties of linear low‐density polyethylene (LLDPE)
Authors: Mishra Satyendra , Chatterjee Aniruddha , Rana Vijay Kumar 
Published: March 2010

AbstractRheological, thermal, and mechanical properties of polymer particle/LLDPE blends were studied in this paper. The blends were prepared individually by incorporating nanoparticles of polystyrene (nPS) of ∼60 nm and polymethyl methacrylate (nPMMA) of ∼50 nm with different wt% loading (i.e., 0.10–0.5%). It was shown from the experimental results that rheological, thermal and mechanical properties were increased as polymer particles blended with LLDPE. Blends with 0.25 wt% loading of nPS and 0.5 wt% loading of nPMMA exhibited better rheological, thermal, and mechanical properties compared with that of other wt% loadings. The improvements in properties were due to the close packing of LLDPE chains as recorded by improvement in crystallinity of LLDPE with addition of nPS and nPMMA as shown by SEM. Copyright © 2010 John Wiley & Sons, Ltd.
Reasons for participation in optional pharmacokinetic studies in children with cancer: A Children's Oncology Group phase 1 consortium study
Authors: Berg Stacey L. , Winick Naomi , Ingle Ashish Mark , Adamson Peter C. , Blaney Susan M. 
Published: March 2010

AbstractPurposePharmacokinetic (PK) studies provide critical information about the disposition of anticancer drugs in children. In the Children's Oncology Group (COG) Phase 1 Consortium, pharmacokinetic studies are usually optional. We surveyed the attitudes towards PK studies among subjects in phase 1 trials at COG institutions.MethodsSubjects were eligible if they participated in a phase 1 anticancer drug study with optional PK studies within the 4 weeks, regardless of whether they agreed to participate in the PK studies. Staff provided demographics; subjects/parents completed a questionnaire.ResultsFifty eligible subjects enrolled. Thirty‐six (72%) of the 50 eligible subjects consented to participate in PK studies; 14 (25%) declined. The most common reasons for participating were “the results might help researchers learn more about the drug” and “results from the pharmacokinetic studies might help other children.” The most common reasons for not participating were “having the samples drawn would mean spending extra time in the hospital,” and “my child might have needed a separate IV catheter in order to participate.”ConclusionsThe majority of subjects identified altruistic motives for participation in PK studies. Subjects who did not participate in PK studies identified extra time and need for an extra IV as important concerns. Simple interventions like sending staff to the subjects' home to draw PK samples or drawing samples from existing catheters could increase the number of subjects who are willing to participate in PK studies. Pediatr Blood Cancer 2010;55:119–122. © 2010 Wiley‐Liss, Inc.
Preparation and characterization of composites based on polyhydroxybutyrate and waste powder from coconut fibers processing
Authors: Macedo Jeremias de S. , Costa Marysilvia F. , Tavares Maria I.B. , Thiré Rossana M.S.M. 
Published: March 2010

AbstractPolyhydroxybutyrate (PHB) is a thermoplastic, biodegradable, linear, and semicrystalline polyester synthesized by bacteria; while coir dust, a waste generated during the coconut fiber processing, is a mixture of short fibers and powder. The aim of this work was to prepare and characterize composites based on a biopolymer and biowaste, so that the products were derived from natural renewable resources. The composites were produced by compression molding. Composite properties were evaluated by scanning electron microscopy, low field nuclear magnetic resonance, X‐ray diffraction, differential scanning calorimetry, thermogravimetric analysis, and tensile tests. The best results were obtained for the composite containing 10 wt% coir dust, which presented improvements of 35% in tensile strength and 25% in elongation at break when compared with unfilled PHB. The dispersion of higher contents of filler was inefficient resulting in agglomeration and consequently, in premature failure. Despite hydrophilic nature of the coir dust, some degree of interaction between filler and polymeric matrix occurred. It was suggested that coir dust plays two simultaneous roles in the composite. Initially, the filler surface would favor crystal formation acting as a nucleating agent, and at the same time, chain movements would be progressively hindered inhibiting crystal growth. POLYM. ENG. SCI., 2010. © 2010 Society of Plastics Engineers
Reinforcement of adhesion and development of morphology at polymer–polymer interface via reactive compatibilization: A review
Authors: Jiang Genjie , Wu Hong , Guo Shaoyun 
Published: March 2010

AbstractPolymer blending is a common and effective way to develop new materials with desirable physical and mechanical properties. Since most polymer pairs are immiscible, reactive compatibilization has been extensively studied to stabilize morphology of polymer blends and improve their mechanical properties. In the past several years, considerable interest has been expressed in understanding the fundamental kinetics and mechanisms of the interfacial reaction, investigating the reinforcement of the interfacial adhesion and the development of morphological structure at polymer–polymer interface induced by the interfacial reaction. The present review focused on some theoretical and experimental results that include the formation and growth of copolymers at the interface, and also the major factors such as reaction conditions, the concentration and bulk properties of the functionalized polymer, the thermodynamic interaction between the functionalized polymer and the matrix, which can influence the interfacial adhesion and morphological development. POLYM. ENG. SCI., 2010. © 2010 Society of Plastics Engineers
Simultaneously improved toughness and dielectric properties of epoxy/graphite nanosheet composites
Authors: Min Chao , Yu Demei 
Published: March 2010

AbstractVery thin graphite nanosheets are obtained using an ultrasonic irradiation method, and epoxy/graphite nanosheet composites with different filler content are fabricated using the diglycidylether of bisphenol A epoxy matrix. An investigation of structural characteristics and mechanical and dielectric properties of the nanocomposites is carried out. SEM micrographs shows that the thickness of a single layer graphite nanosheet is about 20 nm whereas FTIR studies indicates that the surfaces of the graphite nanosheets are enriched with hydroxyl and carbonyl groups. The dielectric constants of the composites are increased with increases in graphite nanosheet content lower than 3.5 wt%, and are still higher than 100 in the high frequency range with 3.5 wt% graphite filler content. The tensile strength and storage modulus of the composites increase with increasing nanosheet concentration. These epoxy/graphite nanosheet composites, which show both high dielectric constant and toughness, could have potential application in embedded capacitor technology. POLYM. ENG. SCI., 50:1734–1742, 2010. © 2010 Society of Plastics Engineers
Synthesis and characterization of acetylene‐terminated polybenzoxazines based on polyaralkyl‐phenolic prepolymer
Authors: Qi Huimin , Pan Guangyan , Zhuang Yuanqi , Huang Farong , Du Lei 
Published: March 2010

AbstractXylok polybenzoxazine with acetylene group terminals (XPBZAs) were synthesized by the Mannich‐like condensation of Xylok prepolymer, formaldehyde, aminophenylacetylene, and aniline, and their structures were characterized by Fourier transform infrared spectroscopy (FTIR) and proton nuclear magnetic resonance (1H NMR). The curing behavior of XPBZAs was determined by differential scanning calorimetry and FTIR. Thermal behavior and dynamic mechanical properties of the cured XPBZAs were investigated using thermogravimetric analysis and dynamic mechanical analysis. The results showed glass transition temperature (Tg), the thermal stability, and anaerobic char residue of cured XPBZAs increased as the content of acetylene groups increased. POLYM. ENG. SCI., 50:1751–1757, 2010. © 2010 Society of Plastics Engineers
Benzophenone incorporated polyvinyl alcohol hydrogels as photo‐induced antimicrobial materials
Authors: Hong Kyung Hwa , Sun Gang 
Published: March 2010

AbstractPhotoactive antimicrobial hydrogels were produced by incorporating benzophenone (BP) into glutaraldehyde (GA) crosslinked polyvinyl alcohol (PVA). Structural and functional properties of the BP incorporated PVA/GA (BP:PVA/GA) hydrogels were investigated by FTIR, XRD, SEM, and antimicrobial tests. The durability of the functions was also examined by UV‐Vis spectroscopy, HPLC, MS, and antimicrobial tests. The concentrations of BP and GA in the BP:PVA/GA hydrogels affected the formation of the hydrogels as well as their structures. All BP:PVA/GA hydrogels showed antimicrobial abilities under UVA (365 nm) irradiation, and the effectiveness increased as the amounts of BP in the hydrogels increased. In particular, as‐prepared BP:PVA/GA hydrogels exhibited prominent durability in the photo‐induced antimicrobial ability. POLYM. ENG. SCI., 50:1780–1787, 2010. © 2010 Society of Plastics Engineers
Electrical properties of fine line printed and light‐induced plated contacts on silicon solar cells
Authors: Hörteis M. , Bartsch J. , Binder S. , Filipovic A. , Merkel J. , Radtke V. , Glunz S. W. 
Published: March 2010

AbstractThe properties of fine‐line printed contacts on silicon solar cells, in combination with light‐induced plating (LIP), are presented. The seed layers are printed using an aerosol system and a new metallization ink calledSISCdeveloped at Fraunhofer ISE. The influence of multiple layer printing on the contact geometry is studied as well as the influence of the contact height on the line resistivity and on the contact resistance. The dependence between contact resistance and contact height is measured using the transfer length model (TLM). Further on, it is explained by taking SEM images of the metal–semiconductor interface, that a contact height of less than 1 µm or a minimum ink amount of only 4–6 mg is sufficient to contact a large area (15·6 cm × 15·6 cm) silicon solar cell on the front side and results in a contact resistanceRc × W < 0·5 Ω cm. As the line resistivity of fine‐line printed fingers needs to be reduced by LIP, three different plating solutions are tested on solar cells. The observed differences in line resistivity betweenρf = 5 × 10−8and 2 × 10−8 Ω m are explained by taking SEM pictures of the grown LIP‐silver. Finally, the optimum LIP height for different line resistivities is calculated and experimentally confirmed by processing solar cells with an increasing amount of LIP silver. Copyright © 2010 John Wiley & Sons, Ltd.
Oxidized metabolites from cyclopenta‐fused polycyclic aromatic hydrocarbons (CP‐PAHs). A DFT model study of their carbocations formed by epoxide ring opening
Authors: Borosky Gabriela L. , Laali Kenneth K. 
Published: March 2010

AbstractA density functional theory (DFT) study aimed at understanding structure–reactivity relationships in the oxidized metabolites of cyclopenta‐fused polycyclic aromatic hydrocarbons (CP‐PAHs) is reported. Epoxidation at various positions was examined in order to identify the most stable epoxide in each class of CP‐PAHs. Relative energies of the carbocations resulting from O‐protonation and epoxide ring opening were analyzed and compared, taking into account the available biological activity data on these compounds. Geometrical, electronic, and conformational issues were considered. Charge delocalization modes in the resulting carbocations were deduced via the natural population analysis (NPA)‐derived changes in charges. Computational results pointed to the importance of the unsaturated cyclopenta ring on the reactivity of these compounds. The reported bioactivity of this highly mutagenic/carcinogenic family of PAHs was observed to parallel their relative carbocation stabilities. A different behavior was observed in crowded non‐planar structures possessing a distorted aromatic system. A covalent adduct formed between a CP‐PAH epoxide and a purine base was computed inside a DNA fragment employing the ONIOM method. Copyright © 2010 John Wiley & Sons, Ltd.
Tunneling in enzymatic and nonenzymatic hydrogen transfer reactions
Authors: Truhlar Donald G. 
Published: March 2010

AbstractThis paper is a response to an invitation to share my viewpoint by writing an opinion piece (not a review) on proton tunneling, especially from the point of view of whether it has a greater importance in enzymatic reactions than in other reactions. The paper begins with a discussion of the emergence of a conceptual framework for including tunneling in reaction rate calculations; the framework is general enough to include not only transfer of protons but also transfer of hydrogen atoms and hydride ions and their isotopes, and not only enzymatically catalyzed reactions but also nonenzymatic reactions. Then the paper discusses the special issues that arise when the reaction rate under consideration is for an enzyme‐catalyzed reaction. The emphasis is on physical considerations in reaction rate calculations, not on system‐specific comparison of results for different modes of reaction. It is argued that enzymatic and nonenzymatic reactions may be treated within the same basic framework except that ensemble averaging, which is not usually required for gas‐phase reactions, is essential for treating enzyme reactions. Enzymes explicitly discussed include methylamine dehydrogenase, aromatic amine dehydrogenase, E. coli dihydrofolate reductase, hyperthermophilic dihydrofolate reductase, liver alcohol dehydrogenase, methylmalonyl‐CoA mutase, soybean lipoxygenase, copper amine oxidase, pentaerythritol tetranitrate reductase, morphinone reductase, enolase, xylose isomerase, and 4‐oxalocrotonate tautomerase. Copyright © 2010 John Wiley & Sons, Ltd.
Sexual functioning along the cancer continuum: focus group results from the Patient‐Reported Outcomes Measurement Information System (PROMIS®)
Authors: Flynn Kathryn E. , Jeffery Diana D. , Keefe Francis J. , Porter Laura S. , Shelby Rebecca A. , Fawzy Maria R. , Gosselin Tracy K. , Reeve Bryce B. , Weinfurt Kevin P. 
Published: March 2010

AbstractObjective: Cancer and treatments for cancer affect specific aspects of sexual functioning and intimacy; however, limited qualitative work has been done in diverse cancer populations. As part of an effort to improve measurement of self‐reported sexual functioning, we explored the scope and importance of sexual functioning and intimacy to patients across cancer sites and along the continuum of care.Methods: We conducted 16 diagnosis‐ and sex‐specific focus groups with patients recruited from the Duke University tumor registry and oncology/hematology clinics (N=109). A trained note taker produced field notes summarizing the discussions. An independent auditor verified field notes against written transcripts. The content of the discussions was analyzed for major themes by two independent coders.Results: Across all cancers, the most commonly discussed cancer‐ or treatment‐related effects on sexual functioning and intimacy were fatigue, treatment‐related hair loss, weight gain and organ loss or scarring. Additional barriers were unique to particular diagnoses, such as shortness of breath in lung cancer, gastrointestinal problems in colorectal cancers and incontinence in prostate cancer. Sexual functioning and intimacy were considered important to quality of life. While most effects of cancer were considered negative, many participants identified improvements to intimacy after cancer.Conclusion: Overall evaluations of satisfaction with sex life did not always correspond to specific aspects of functioning (e.g. erectile dysfunction), presenting a challenge to researchers aiming to measure sexual functioning as an outcome. Health‐care providers should not assume that level of sexual impairment determines sexual satisfaction and should explore cancer patients' sexual concerns directly. Copyright © 2010 John Wiley & Sons, Ltd.
On classical de Sitter vacua in string theory
Authors: Wrase T. , Zagermann M. 
Published: March 2010

AbstractWe review the prospect of obtaining tree‐level de Sitter (dS) vacua and slow‐roll inflation models in string compactifications. Restricting ourselves to the closed string sector and assuming the absence of NSNS‐sources, we classify the minimal classical ingredients that evade the simplest no‐go theorems against dS vacua and inflation. Spaces with negative integrated curvature together with certain combinations of low‐dimensional orientifold planes and low‐rank RR‐fluxes emerge as the most promising setups of this analysis. We focus on two well‐controlled classes that lead to an effective 4D, 𝒩 = 1 supergravity description: Type IIA theory on group or coset manifolds with SU(3)‐structure and O6‐planes, as well as type IIB compactifications on SU(2)‐structure manifolds with O5‐ and O7‐planes. While fully stabilized AdS vacua are generically possible, a number of problems encountered in the search for dS vacua are discussed.
Predictive models before and after radical prostatectomy
Authors: Capitanio Umberto , Briganti Alberto , Gallina Andrea , Suardi Nazareno , Karakiewicz Pierre I. , Montorsi Francesco , Scattoni Vincenzo 
Published: March 2010

AbstractCONTEXTIn the last 10 years, several user‐friendly predictive tools have been developed to help clinicians in decision‐making process before and after radical prostatectomy.OBJECTIVETo review the most known and used predictive models in pre‐operative and post‐operative setting.EVIDENCE ACQUISITIONA structured, comprehensive literature review was performed using data retrieved from recent review articles, original articles, and abstracts. Used keywords were predictive models, nomograms, look‐up tables, classification and regression‐tree analysis, artificial neural networks, and radical prostatectomy.EVIDENCE SYNTHESISA great amount of predictive models has been provided in oncology setting: nomograms, look‐up tables, classification and regression‐tree analysis, propensity scores, risk‐group stratification models, and artificial neural networks. Pre‐surgery predictive tools offer the opportunity of getting the most evidence‐based and individualized selection of available treatment alternatives. Post‐operative predictive models usually provide higher accuracy relative to the pre‐surgery models.CONCLUSIONSDecisions and treatment should be tailored to each individual patient and to the specific characteristics of patients. A number of available predictive models represent a tool to provide accurate prediction of cancer natural history and to improve patients' care. Prostate 70:1371–1378, 2010. © 2010 Wiley‐Liss, Inc.
Density functional theory study of the electronic properties of naphthofuranquinone compounds with antitrypanocidal activity
Authors: Manzoni V. , Lyra M. L. , Cavada B. S. , Neto N. Saker , Freire V. N. 
Published: March 2010

AbstractWe perform a first‐principles calculation of the electronic properties of three recently synthesized naphtofuranquinone compounds that have an enhanced biological activity against the protozoan Trypanosoma cruzi that causes the Chagas disease. Using density functional theory, we show that the most active iodinized molecules have three stable conformations associated with the torsion angle of the iodine radical. For each stable conformation of these molecules, we compute the charge distribution, absorption electronic energy, and NMR‐shielding in the gas phase as well as in the presence of distinct solvent media. Our results show that the most active compound has a larger dipole moment and electronic absorption energy. The estimated chemical shifts are in good agreement with experimental findings, except for the carbon bonded to the Iodine atom. We discuss on potential improvements of the calculation prescription that can potentially overcome this point. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Beyond mean‐field effects in attractive Bose‐Einstein condensate
Authors: Debnath P. K. , Chakrabarti Barnali , Das Tapan Kumar 
Published: March 2010

AbstractVarious zero temperature ground state properties of the 85Rb condensate with tunable interaction (JILA experiment) are studied by using correlated many body method incorporating appropriate approximation. Our observed results are clear evidence of beyond mean‐field effects in attractive Bose‐Einstein condensate. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Mikheev–Smirnov–Wolfenstein effect in chiral molecules
Authors: Bargueño Pedro , Pérez de Tudela Ricardo , Gonzalo Isabel 
Published: March 2010

AbstractIn a recent article (Phys Rev A 2009, 80, 012110), we have proposed an alternative method to measure the parity‐violating energy difference between enantiomers of chiral molecules by modifying the dynamics of the two‐state system using an external chiral field, in particular circularly polarized light. When this field is properly tuned, the two‐state system becomes resonant, thus being maximal the probability of interconversion between enantiomers. In this work, we show that the resonance found in our previous work is identical to that found in two‐flavor neutrino oscillations, known as Mikheev–Smirnov–Wolfenstein (MSW) resonance. We use some analogies between neutrinos and chiral molecules to derive some interesting properties of the oscillations between enantiomers. In particular, we obtain an expression for the transition probability between them when their energy difference is time‐dependent. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Exploring the G3 method in the study of rotational barrier of some simple molecules
Authors: Ducati Lucas Colucci , Custodio Rogério , Rittner Roberto 
Published: March 2010

AbstractThe G3 method was used to determine the internal rotation barriers of some simple molecules (H2O2, H2S2, N2H4, CH3OH, CH3NH2, and C2H6). The barriers were accurate with deviations lower than 0.5 kcal mol−1 with respect to the experimental data and comparable with other methods like CCSD(T)/aug‐cc‐pVTZ results. The G3 components showed that the MP4/6‐31G(d) energy is quantitatively improved according to: ΔEG3Large > ΔE2df,p > ΔE+ > ΔEQCI. However, the relative energies showed that molecules containing lone pairs in neighbor atoms presented high barriers, which were particularly sensitive to polarization and diffuse functions. The G3Large and QCI effects showed no qualitative or quantitative relative contribution. Molecules containing lone pairs in one atom or only bond pairs presented low barriers and were sensitive not only to the polarization and diffuse effects but also depending on the improvement of the basis set through the G3Large correction. The QCI effect showed no qualitative or quantitative relevant contribution in any of the cases studied. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010