bluuebunny/crossref_metadata_2025_split huggingface dataset:
Numerical simulation and experimental verification of the filling stage in injection molding
Authors: Wang Wei , Li Xikui , Han Xianhong 
Published: July 2011

AbstractThe linear low‐density polyethylene melt is described by the modified Cross model, the dependence of melt viscosity on temperature incorporated with the Arrhenius equation, and the Moldflow second‐order model in this investigation. The mass, momentum conservation, and constitutive equations are discretized and solved by using the iterative stabilized fractional step algorithm along with the Crank–Nicolson implicit difference scheme. The energy conservation equation is discretized with the characteristic Galerkin approach. The free surface of molten polymer flow front is tracked by the arbitrary Lagrangian–Eulerian (ALE) method. It is demonstrated that good agreement of the numerical predictions given by the proposed ALE method with the results obtained by the injection short‐shot experiments is achieved in the locations and shape of the melt front. Furthermore, when the melt front completely reaches the wall of the mold cavity, the horizontal velocity distribution of counterflow at the section near the finally filling wall is exhibited in the present simulation. POLYM. ENG. SCI., 2012. © 2011 Society of Plastics Engineers
Epoxy/silsesquioxane organic–inorganic hybrids: Sol–gel synthesis of inorganic precursors containing amino and phenyl groups
Authors: Farias M.A. , Coelho L.A.F. , Pezzin S.H. 
Published: July 2011

AbstractThe synthesis of silsesquioxane oligomers containing amino and phenyl groups by sol–gel process and the formation of an organic–inorganic hybrid, by the reaction of amino groups of the silsesquioxane precursor with epoxy rings of diglycidyl ether of bisphenol A, have been investigated. Acid catalysis proved to be more efficient than basic catalysis for the condensation reaction between 3‐aminopropyltriethoxysilane (APES) and phenyltriethoxysilane (PETS) in ethanol. Liquid state 29Si nuclear magnetic resonance (29Si NMR) analysis indicated that T3 structures are the major phase forming the network structure. Infrared spectroscopy analyses confirmed the formation of the epoxy/silsesquioxane hybrid and showed that a high degree of cure was achieved. A distinct behavior of the glass transition temperature (Tg) between the hybrids cured at different time intervals after the chemical modification was observed, and the most significant value was an increase of 13°C in Tg obtained with the hybrid produced with silsesquioxane oligomers synthesized by sol–gel for 18 h. From thermogravimetric analyses (TGAs), it was observed an increase on the residual masses for the hybrids and a decrease in their degradation rates, suggesting an improvement of thermal stability. These results indicate the formation of a new organic–inorganic hybrid material with potential applications for high performance coatings and structural components. POLYM. ENG. SCI., 2012. © 2011 Society of Plastics Engineers
Foaming of EVA/starch blends: Characterization of the structure, physical properties, and biodegradability
Authors: Rodriguez‐Perez M.A. , Simoes R.D. , Roman‐Lorza S. , Alvarez‐Lainez M. , Montoya‐Mesa C. , Constantino C.J.L. , de Saja J.A. 
Published: July 2011

AbstractFoams produced from blends of an ethylene‐vinyl acetate copolymer (EVA) with high VA (vinyl acetate) content (28%) and corn starch have been successfully fabricated using an improved compression molding technique. A detailed characterization of the structure and physical properties has been carried out. The results showed that the corn starch acts as filler for EVA, showing a good compatibility with the polyolefin. Different types of cellular structure (closed, partially interconnected, and fully interconnected) and cell sizes were obtained depending on the relative density and the amount of starch included in the composition. Besides, the addition of starch allows tailoring the physical properties of the composite foams. An increase in the starch content leads to an increase of the density, compressive strength, hardness, and thermal conductivity and a decrease of the elasticity. Finally, biodegradability tests showed how increases the biodegradation with the amount of starch in the foam, which reaches 60% at 100 days for the foam with 70% of starch. POLYM. ENG. SCI., 2012. © 2011 Society of Plastics Engineers
Formation mechanism of crystal morphologies in LLDPE/HDPE blends investigated via water‐assisted and conventional injection molding
Authors: Wang Bin , Huang Han‐Xiong 
Published: July 2011

AbstractThe LLDPE/HDPE blends with two different weight ratios as well as pure LLDPE were molded by means of water‐assisted and conventional injection molding (WAIM and CIM) in terms of their different thermal fields. The formation of the crystal morphology in the molded parts was investigated by a scanning electron microscope. The results showed that banded spherulites formed in the WAIM and CIM pure LLDPE parts. Banded spherulites of LLDPE coexisted with the randomly oriented lamellae of HDPE for LLDPE/HDPE blend parts with lower HDPE content at higher cooling rates, whereas a banding to nonbanding morphological transition occurred for LLDPE component (particularly for blend with higher HDPE content) at lower cooling rates. The heterogeneous nucleation effect of HDPE component on LLDPE component was responsible for the banding to nonbanding morphological transition by hindering the twist of LLDPE lamellae. It was interesting to find that the thermal effect, rather than the shear effect, was the main factor for the formation of crystal morphologies in both CIM and WAIM blend parts. POLYM. ENG. SCI., 2012. © 2011 Society of Plastics Engineers
Method of analyzing silicon groove damage using QSS‐PC, PL imaging, silicon etch rate, and visual microscopy for solar cell fabrication
Authors: Fong Kean Chern , Blakers Andrew 
Published: July 2011

AbstractThis work uses a variety of tools to investigate damage caused by laser and dicing saw grooving in silicon. The tools comprise quasi steady state photoconductance decay, photoluminescence imaging, measurement of silicon etch rate in anisotropic etch solution, and visual microscopy. Shallow grooves were formed using a 532 nm Q‐switched Nd:YLF frequency doubled solid state laser and a high speed spindle dicing saw. Combined analysis of the characterization tools enabled determination of the damage radius of the grooves within the bulk of the wafer, the radius of damage in the dielectric layer laterally along the surface of the wafer, as well as the groove etching requirements to fully recover the minority carrier lifetime in the vicinity of the groove. Copyright © 2011 John Wiley & Sons, Ltd.
Top‐down label‐free LC‐MALDI analysis of the peptidome during neural progenitor cell differentiation reveals complexity in cytoskeletal protein dynamics and identifies progenitor cell markers
Authors: Maltman Daniel J. , Brand Sven , Belau Eckhard , Paape Rainer , Suckau Detlev , Przyborski Stefan A. 
Published: July 2011

AbstractIn the field of stem cell research, there is a strong requirement for the discovery of new biomarkers that more accurately define stem and progenitor cell populations, as well as their differentiated derivatives. The very‐low‐molecular‐weight (<5 kDa) proteome/peptidome remains a poorly investigated but potentially rich source of cellular biomarkers. Here we describe a label‐free LC‐MALDI‐TOF/TOF quantification approach to screen the very‐low‐molecular‐weight proteome, i.e. the peptidome, of neural progenitor cells and derivative populations to identify potential neural stem/progenitor cell biomarkers. Twelve different proteins were identified on the basis of MS/MS analysis of peptides, which displayed differential abundance between undifferentiated and differentiated cultures. These proteins included major cytoskeletal components such as nestin, vimentin, and glial fibrillary acidic protein, which are all associated with neural development. Other cytoskeletal proteins identified were dihydropyrimidinase‐related protein 2, prothymosin (thymosin α‐1), and thymosin β‐10. These findings highlight novel stem cell/progenitor cell marker candidates and demonstrate proteomic complexity, which underlies the limitations of major intermediate filament proteins long established as neural markers.
Proteomic analysis identifies differentially expressed proteins after HDAC vorinostat and EGFR inhibitor gefitinib treatments in Hep‐2 cancer cells
Authors: Bianchi Laura , Bruzzese Francesca , Leone Alessandra , Gagliardi Assunta , Puglia Michele , Di Gennaro Elena , Rocco Monia , Gimigliano Anna , Pucci Biagio , Armini Alessandro , Bini Luca , Budillon Alfredo 
Published: July 2011

AbstractSeveral solid tumors are characterized by poor prognosis and few effective treatment options, other than palliative chemotherapy in the recurrent/metastatic setting. Epidermal growth factor receptor (EGFR) has been considered an important anticancer target because it is involved in the development and progression of several solid tumors; however, only a subset of patients show a clinically meaningful response to EGFR inhibition, particularly to EGFR tyrosine kinase inhibitors such as gefitinib. We have recently demonstrated synergistic antitumor effect of the histone deacetylase inhibitor vorinostat combined with gefitinib. To further characterize the interaction between these two agents, cellular extracts from Hep‐2 cancer cells that were untreated or treated for 24 h with either vorinostat or gefitinib alone or with a vorinostat/gefitinib combination were analyzed using 2‐D DIGE. Software analysis using DeCyder was performed, and numerous differentially expressed protein spots were visualized between the four examined settings. Using MALDI‐TOF MS and ESI‐Ion trap MS/MS, several differentially expressed proteins were identified; some of these were validated by Western blotting. Finally, a pathway analysis of experimental data performed using MetaCore highlighted a relevant relationship between the identified proteins and additional potential effectors. In conclusion, we performed a comprehensive analysis of proteins regulated by vorinostat and gefitinib, alone and in combination, providing a useful insight into their mechanisms of action as well as their synergistic interaction.
Macroinitiator halide effects in galactoglucomannan‐mediated single electron transfer‐living radical polymerization
Authors: Edlund Ulrica , Albertsson Ann‐Christine 
Published: July 2011

AbstractChloro (Cl)‐ and bromo (Br)‐functionalized macroinitiators were successfully prepared from the softwood hemicellulose O‐acetylated galactoglucomannan (AcGGM) and then explored and evaluated with respect to their ability and efficiency of initiating single electron transfer‐living radical polymerization (SET‐LRP). Both halogenated species effectively initiate SET‐LRP of an acrylate and a methacrylate monomer, respectively, yielding brushlike AcGGM graft copolymers, where the molecular weights are accurately controlled via the monomer:macroinitiator ratio and polymerization time over a broad range: from oligomeric to ultrahigh. The nature of the halogen does not influence the kinetics of polymerization strongly, however, for acrylate graft polymerization, AcGGM‐Cl gives a somewhat higher rate constant of propagation, while methacrylate grafting proceeds slightly faster when the initiating species is AcGGM‐Br. For both monomers, the macroinitiator efficiency is superior in the case of AcGGM‐Br. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Acid dissolution of copper oxides as a method for the activation of Cu(0) wire catalyst for SET‐LRP
Authors: Nguyen Nga H. , Percec Virgil 
Published: July 2011

AbstractHere we reported the acid dissolution of copper oxides as a methodology for the activation of Cu(0) wire used as catalyst in single‐electron transfer living radical polymerization (SET‐LRP). In this method, the oxide layer on the surface of commercial Cu(0) wire was removed by dissolution in a concentrated acid such as nitric acid, glacial acetic acid and hydrochloric acid. SET‐LRP of methyl acrylate catalyzed with Cu(0) wire activated with acids showed comparable k value to that of the nonactivated Cu(0) wire‐catalyzed counterpart. However, the polymerizations catalyzed with activated Cu(0) wire proceeded with no initial induction period, predictable molecular weight evolution with conversion, and narrow molecular weight distribution. Regardless of the activation method, the chain end functionality of α,ω‐di(bromo) poly(methyl acrylate) (PMA) prepared from SET‐LRP initiated with a bifunctional initiator is extremely high, maintaining a 100% chain end functionality at ∼90% monomer conversion. The degree of bimolecular termination increased as the polymerization exceeds 92% conversion. However, for binfunctional initiators this small amount of bimolecular termination at high conversion maintains a perfectly bifunctional polymer. Structural analysis by MALDI‐TOF upon thioetherification of α,ω‐di(bromo) PMA with thiophenol and 4‐fluorothiophenol confirmed the high fidelity of bromide chain ends. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Can a tailored telephone intervention delivered by volunteers reduce the supportive care needs, anxiety and depression of people with colorectal cancer? A randomised controlled trial
Authors: White Victoria M. , Macvean Michelle L. , Grogan Suzi , D'Este Catherine , Akkerman Doreen , Ieropoli Sandra , Hill David J. , Sanson‐Fisher Robert 
Published: July 2011

AbstractObjectiveThe objective was to assess the effectiveness of a volunteer‐delivered tailored telephone‐based intervention in reducing prevalence of unmet supportive care needs, elevated levels of anxiety and depression among people with colorectal cancer over a 9‐month period.MethodsThere were 653 participants who completed the baseline questionnaire and were randomised to usual care (n = 341) or intervention (n = 306). Three follow‐up questionnaires were completed at 3‐monthly intervals (response rates: 93%, 87%, 82%, respectively). All four questionnaires contained the Supportive Care Needs Survey (SCNS), Hospital Anxiety and Depression Scale (HADS) and checklists for colorectal cancer symptoms and use of support services. The intervention consisted of trained volunteers providing emotional support, service referral and information and was delivered after completion of each of the first three questionnaires. Primary outcomes were prevalence of moderate to high SCNS needs and elevated levels (scores of 8+) of HADS anxiety and depression.ResultsOver the study period, SCNS needs decreased similarly for both groups, and prevalence of elevated depression did not change for either group. There was a greater reduction in the prevalence of elevated anxiety in the intervention than usual care group (p < 0.01), with the intervention group decrease mainly occurring between baseline and the first follow‐up survey (p < 0.01). However, the prevalence of elevated anxiety was similar between the two groups at each follow‐up point.ConclusionsThe intervention had no effect on supportive care needs or depression, although it may be associated with a greater reduction in anxiety. Future research should test the intervention with patients closer to diagnosis. Copyright © 2011 John Wiley & Sons, Ltd.
The meaning of cancer: implications for family finances and consequent impact on lifestyle, activities, roles and relationships
Authors: Amir Ziv , Wilson Kate , Hennings Jean , Young Alys 
Published: July 2011

AbstractObjectiveThis study explores the impact that cancer‐related financial hardship/worries can have on family life.MethodsForty patients (19 male and 21 female) and 17 carers participated in a qualitative study, which drew on certain elements of grounded theory methods. Participants were 18 years or older and were accessed through a regional cancer centre, an acute National Health Service trust, a support group and the Macmillan Benefits Helpline. Interviews were transcribed verbatim and analysed thematically with the aid of nvivo 7 (QSR International, Cambridge, MA, USA).ResultsMany participants said that prior to experiencing cancer, they had never thought about its effects on finances. The early part of the cancer journey was characterised by a need to be positive about the future, limited discussion about money within families and a lack of action in relation to finances. Many participants, especially those of working age, described cancer‐related financial worries and difficulties that had impacted on family lifestyle, roles and relationships. Consequences included house repossession, bankruptcy, loss of independence and relationship breakdown.ConclusionsHealth and social care professionals have a role in prompting people affected by cancer to take stock of their finances early in the cancer trajectory, in order to avert knock‐on effects. An approach that combines hope with proactivity is needed. More work into the long‐term effects of financial difficulties/worries and specific financial issues that affect people from Black and minority ethnic backgrounds is needed. Copyright © 2011 John Wiley & Sons, Ltd.
Thermal Expansion of LX‐17, PBX 9502, and Ultrafine TATB
Authors: Souers P. Clark , Lewis Pat , Hoffman Mark , Cunningham Bruce 
Published: July 2011

AbstractA large quantity of linear strain and LCTE data from −55 °C to 75 °C on LX‐17, PBX 9502 and ultrafine TATB (ufTATB) is presented. Axial and diametral measurements are blended to give final densities, which agree with the liquid immersion values of Baytos et al. The nominal densities at 21, −55 and 75 °C in g⋅cm−3 are: LX‐17 1.90, 1.920, 1.874; PBX 9502 1.89, 1.907, 1.867; ufTATB 1.80, 1.822, 1.778. Data taken radially show more thermal expansion than that taken transversely in cut‐up parts; both must be combined to get the density. There is no difference between virgin and recycled TATB. Rachet growth data is presented, both at low pressure and at higher pressure, where the swelling is diminished. A Kel‐F strain curve is presented and the theoretical maximum densities are computed.
Assessing Low‐frequency Repetitive Transcranial Magnetic Stimulation with Functional Magnetic Resonance Imaging: A Case Series
Authors: Glielmi Christopher B. , Butler Andrew J. , Niyazov Dmitriy M. , Darling Warren G. , Epstein Charles M. , Alberts Jay L. , Hu Xiaoping P. 
Published: July 2011

AbstractBackground and Purpose. This case series assesses the effects of five consecutive days of low‐frequency (1 Hz) repetitive transcranial magnetic stimulation (rTMS) with and without a 6‐Hz primer. Although this paper studies able‐bodied individuals, similar rTMS protocols are used to facilitate motor recovery in patients with hemiplegia following stroke. However, the cortical mechanisms associated with repeated daily doses of rTMS are not completely understood. Case Description. Four right‐handed healthy volunteers (two men, aged 20–50 years) participated in a double‐blind case series of primed and unprimed rTMS. Functional magnetic resonance imaging was used to compare task‐related haemodynamics during a simple motor task and resting‐state cortical connectivity. Understanding the mechanisms of repeated rTMS sessions may serve as a precursor to development of rTMS paradigms involving motor cortex stimulation in patients with a range of neurologic dysfunction. Outcomes. Following five consecutive days of rTMS, all subjects had reduced task‐related haemodynamics. Resting‐state brain connectivity between motor regions was reduced only after primed rTMS. Discussion. This is the first study to indicate that resting‐state brain connectivity can distinguish the effect of primed and unprimed rTMS to a greater extent than task‐related haemodynamics. Furthermore, priming may inhibit the connectivity between the area of the cortex underlying the rTMS site and remote brain regions. Significance. These findings benefit rTMS rehabilitation studies by examining haemodynamics on repeated days of stimulation and incorporating resting‐state brain connectivity analysis to further understand underlying neural mechanisms. Furthermore, this work encourages the utilization of resting connectivity in future rTMS studies. Copyright © 2011 John Wiley & Sons, Ltd.
Protein electrostatics and pKa blind predictions; contribution from empirical predictions of internal ionizable residues
Authors: Olsson Mats H. M. 
Published: July 2011

AbstractIn this study, we validate and probe the description of electrostatic interactions within proteins by predicting and comparing pKa values of ionizable groups in a series of mutated staphylococcal nuclease variants with experiments. This set of pKa values is found to be the most challenging pKa data to date, because ionizable residues have been introduced in hydrophobic patches in the protein interior and are therefore significantly shifted from their reference solvated values. We find that using PROPKA2 (Li et al., Proteins 2005;61:704–721) results in an rmsd value close to 2 for true blind predictions (1.6 if we reassign the tightly coupled Asp19/21 pair) and close to 1 for postpredictions with the newly developed PROPKA3 (Olsson et al., J. Chem. Theor. Comp. 2011;7:525–537). We also use the performance of the Null‐model, predictions made with the reference value only, to provide a better description of the expected errors in pKa predictions and to compare submissions made using different subsets of the pKa data more consistently. Proteins 2011; © 2011 Wiley‐Liss, Inc.
The active–inactive transition of human thymidylate synthase: Targeted molecular dynamics simulations
Authors: Salo‐Ahen Outi M. H. , Wade Rebecca C. 
Published: July 2011

AbstractHuman thymidylate synthase (hTS) is an established anticancer target. It catalyses the production of 2′‐deoxythymidine‐5′‐monophosphate, an essential building block for DNA synthesis. Because of the development of cellular drug resistance against current hTS inhibitors, alternative inhibition strategies are needed. hTS exists in two forms, active and inactive, defined by the conformation of the active‐site (AS) loop, which carries the catalytic cysteine, C195. To investigate the mechanism of activation and inactivation, targeted molecular dynamics (TMD) simulations of the transitions between active and inactive states of hTS were performed. Analysis of changes in the dihedral angles in the AS loop during different TMD simulations revealed complex conformational transitions. Despite hTS being a homodimeric enzyme and the conformational transition significantly involving the dimer interface, the transition occurs in an asymmetric, sequential manner via an ensemble of pathways. In addition to C195, which reoriented during the simulations, other key residues in the rotation of the AS loop included W182 and R185. The interactions of the cognate bulky W182 residues at the dimer interface hindered the simultaneous twist of the AS loops in the hTS dimer. Interactions of R185, which is unique for hTS, with ligands at different allosteric sites affected the activation transition. In addition to providing insights into the activation/inactivation mechanism of hTS and how conformational transitions can occur in homodimeric proteins, our observations suggest that blocking of AS loop rotation by ligands binding in the large cavity between the loops could be one way to stabilize inactive hTS and inhibit the enzyme. Proteins 2011; © 2011 Wiley‐Liss, Inc.