bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polysiloxane‐containing benzoxazine moieties in the main chain
Authors: Aydogan Binnur , Sureka Dilek , Kiskan Baris , Yagci Yusuf 
Published: September 2010

AbstractPolysiloxanes containing thermally curable benzoxazine units in the main chain have been synthesized. For this purpose, first the diallyl functional benzoxazine monomer is synthesized through the Mannich and respective ring closing reactions of 4,4′‐isopropylidenediphenol (bisphenol A), formaldehyde, and allyamine. Subsequent hydrosilylation reaction of the resulting allylic monomer (B‐ala) with 1,1,3,3‐tetramethyldisiloxane (TMDS) in the presence of Pt catalyst yields the corresponding oligo(B‐ala‐tetramethyldisiloxane)s (OBTMDS). Using the anionic polymerization route, OBTMDS was then converted to poly(bisbenzoxazinedimethylsiloxane)s (PBDMSs) by reacting with readily available cyclic oligomer octamethylcyclotetrasiloxane (D4) or decamethylcyclopentasiloxane (D5) in the presence of tetrabutylammonium hydroxide as catalyst. The structures of the precursor diallyl monomer, the intermediate oligomer, and the resulting polymers are confirmed by Fourier transform infrared and 1H NMR analysis. Curing behavior of the products at various stages has also been studied by differential scanning calorimetry. Flexible transparent films of the PBDMSs are obtained by solvent casting. Thermal properties of the cured polymers are also investigated by thermogravimetric analysis. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010
Measuring true electromechanical strain of electroactive thermoplastic elastomer gels using synchrotron SAXS
Authors: Kim Bori , Park Younduk , Kim Jungahn , Hong Soon Man , Koo Chong Min 
Published: September 2010

AbstractThe true electric actuation thickness strain of poly (styrene‐b‐ethylbutylene‐b‐styrene) (SEBS) gel was measured using an in situ synchrotron SAXS. The thermoplastic elastomer SEBS gel was microphase‐separated to form a disordered styrene micelle nanostructure in an oil‐swollen ethylbutylene matrix. The SEBS gel showed reversible cyclic load–unload compression behavior without permanent residual strain. The electromechanical strain of the SEBS gel with carbon paste electrodes could be evaluated by means of a nanostructure dimensional change traced by using the in situ synchrotron SAXS during actuation. The strain measured with SAXS was compared with the strain measured using conventional laser displacement sensor systems. The optical laser sensor method was likely to overestimate the thickness strain due to the bending movement of the dielectric elastomer. To our knowledge, the thickness strain value measured by the synchrotron SAXS is the closest to the true strain ever measured in the field of dielectric elastomer studies, because the nanostructure dimensional change depends on the thickness dimension change, not on the translational movement like the bending motion. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2010
Microfluidic channels fabricated on mesoporous electrospun fiber mats: A facile route to microfluidic chips
Authors: Jo Eunmin , Lim Min‐Cheol , Kim Han‐Nah , Paik Hyun‐Jong , Kim Young‐Rok , Jeong Unyong 
Published: September 2010

AbstractWe report a facile way of preparing microfluidic channels filled with electrospun functional fibers. Patterned elastic molds were in tight contact with electrospun fiber mats without any leak of the analyte solution. As an example of the simple devices, we demonstrated a microfluidic protein chip selectively purifying histidine‐tagged proteins. Highly mesoporous nitrilotriacetic acid‐functionalized polystyrene (PS‐NTA) fibers were produced by taking advantage of interpenetrating phase separation between PS and PEO during electrospinning. The specific interaction of Ni‐complexed PS‐NTA fibers with histidine enabled us to immobilize only target proteins from highly heterogeneous protein mixtures. The easy process to fabricate functionalized microchannels combined with the high production throughput from electrospinning may greatly contribute to chip‐based chromatographic and bioanalytical devices. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011
Nasal potential measurements on the nasal floor and under the inferior turbinate: Does it matter?
Authors: Vermeulen François , Proesmans Marijke , Feyaerts Nathalie , De Boeck Kris 
Published: September 2010

AbstractAimMeasurement of nasal potential difference (NPD) is increasingly used as diagnostic test for cystic fibrosis (CF) and for in vivo evaluation of treatments aimed at correcting the defective function of the cystic fibrosis transmembrane regulator (CFTR) protein. Several methods are used to measure NPD. This study explores the influence of the site of measurement and compares NPD results obtained on the nasal floor and under the inferior turbinate.MethodsNPD was measured in 34 CF, 26 heterozygote, and 61 control subjects. In every subject, measurements were taken simultaneously under the inferior turbinate in one nostril, and on the nasal floor in the other nostril. Criteria for interpretable tracings were predefined. Repeat measurements were done in 57 persons.ResultsMore interpretable tracings were obtained under the turbinate (120/124) than on the nasal floor (109/124), P = 0.015. Within each subject group, mean values obtained were similar for maximal basal potential, response to amiloride, and total chloride response. Both techniques discriminate well between CF and controls. Repeatability was similar with both methods: mean differences between two measurements approximated zero for most values. Also after correction for different number of interpretable tracings, simulation of sample size calculation for use in CFTR corrective trials was slightly in favor of measurements obtained on the nasal floor.ConclusionNPD measurements under the inferior turbinate and on the nasal floor have similar discriminative power for diagnostic use. Measurements under the turbinate result in a slightly higher proportion of interpretable tracings but sample size calculation slightly favors the nasal floor method. Pediatr. Pulmonol. 2011; 46:145–152. © 2011 Wiley‐Liss, Inc.
Estimating binding affinities by docking/scoring methods using variable protonation states
Authors: Park Min‐Sun , Gao Cen , Stern Harry A. 
Published: September 2010

AbstractTo investigate the effects of multiple protonation states on protein–ligand recognition, we generated alternative protonation states for selected titratable groups of ligands and receptors. The selection of states was based on the predicted pK
a of the unbound receptor and ligand and the proximity of titratable groups of the receptor to the binding site. Various ligand tautomer states were also considered. An independent docking calculation was run for each state. Several protocols were examined: using an ensemble of all generated states of ligand and receptor, using only the most probable state of the unbound ligand/receptor, and using only the state giving the most favorable docking score. The accuracies of these approaches were compared, using a set of 176 protein–ligand complexes (15 receptors) for which crystal structures and measured binding affinities are available. The best agreement with experiment was obtained when ligand poses from experimental crystal structures were used. For 9 of 15 receptors, using an ensemble of all generated protonation states of the ligand and receptor gave the best correlation between calculated and measured affinities. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Six sigma project to improve a management of change process
Authors: Garland R. Wayne 
Published: September 2010

AbstractMany companies including Eastman Chemical Company (Eastman) are using Six Sigma teams and methodologies to improve their manufacturing processes. Eastman has also been successful in applying Six Sigma to process safety management. A Six Sigma Team was chartered to identify and implement improvements in the Eastman company management of change (MOC) process. Six sigma analysis tools utilized included process maps, cause & effects matrix, and failure modes & effects analysis. Improvement opportunities were identified for five parts of the MOC process. An improved MOC design and a control plan to maintain the gains were developed. This article shows how the Six Sigma approach is used to give an effective and efficient MOC process. © 2010 American Institute of Chemical Engineers Process Saf Prog, 2011
Optimizing reformer tube life through advanced inspection and remaining life assessment
Authors: Shannon B.E. , Jaske C.E. , Smith M.C. 
Published: September 2010

AbstractSteam reformer tubes must withstand high temperature and pressures during operation and are made from centrifugally cast materials, typically HK‐40, HP modified, and microalloy materials. As operating conditions can result in various forms of damage, the identification and quantification of damage is of vital importance if tube life is to be predicted accurately. This article describes the recent developments in an inspection system, which uses multiple nondestructive testing techniques to provide the most comprehensive assessment of current tube condition. This is coupled with a sophisticated remaining life assessment software model, which not only predicts the remaining life of each tube in a furnace but can also calculate the effect of changes in future operating conditions on tube ageing. Field experiences and findings are also discussed in the article. © 2010 American Institute of Chemical Engineers Process Saf Prog, 2010
Regulatory initiative for improving industry process safety performance
Authors: P.E. Jay Brabson 
Published: September 2010

AbstractWith the promulgation of regulations in the nineties, targeted to improve process safety for facilities using extremely hazardous substances, there is general agreement that many process safety programs have improved. However, there are still many significant low‐probability high‐consequence accidents, and there is concern that such accidents will continue in the face of issues like cost constraints and the retirement of experienced workers.This article is about the State of Delaware's Accidental Release Prevention program's efforts to improve industry process safety programs and reduce accidental releases beyond our existing state accidental release prevention regulation, without adding significant burdens to industry. Amending one program's rule (release notification) to help meet the objectives of another's program's rule (accidental release prevention) is not normal procedure. However, we believe this regulatory amendment to be a consistent tool for identifying accidental releases and for holding individual facilities accountable for their process safety performance. © 2010 American Institute of Chemical Engineers Process Saf Prog, 2010
Langasite for microelectromechanical systems
Authors: Ansorge Erik , Schmidt Bertram , Sauerwald Jan , Fritze Holger 
Published: September 2010

AbstractPiezoelectrically actuated plano‐convex thickness shear mode (TSM) resonators in lanthanum gallium silicate (langasite, LGS, La3Ga5SiO14) were fabricated. For the fabrication of the devices different micromachining technologies were investigated. Finally, a wet etching process and a dry etching process were developed and furthermore graytone‐lithography in combination with photoresist melting has been applied for the final device fabrication. The plano‐convex shape of the resonators is necessary to improve the Q‐factor of the devices. Simulations have been run to show the influence of the spherically contoured surface. The resulting Q‐factor was higher than for simple planar resonators, reaching values of about 25 000. Furthermore, the conductance spectra were significantly improved. The special characteristics of langasite allow working temperatures of up to 1450 °C. At 800 °C Q‐factors of 1700 could be achieved.
Sample size and proportion of Japanese patients in multi‐regional trials
Authors: Ikeda Kimitoshi , Bretz Frank 
Published: September 2010

AbstractIn recent years, multi‐regional trials have received increasing attention by pharmaceutical companies carrying out global drug development programs. In Japan, new drugs are often approved several years after market release in other countries. The recently published guidance on ‘Basic Principles on Global Clinical Trials’ addresses specifically this time lag. A multi‐regional trial has at least two main objectives. First, it is necessary to show a significant benefit in effect of a new drug in the entire population. Second, one needs to demonstrate that the results for a particular region are consistent with those from the entire population. In this paper, we discuss the methods proposed in the Japanese regulatory guidance document and derive closed form expressions for the resulting probabilities, which require the evaluation of multivariate normal or t probabilities. In addition, we propose an alternative method with better operating characteristics than the current approaches. Moreover, we examine the performance of our suggested method by simulating the probability of achieving the objectives and calculating the false‐positive error rate. Copyright © 2010 John Wiley & Sons, Ltd.
An optimal adaptive design to address local regulations in global clinical trials
Authors: Luo Xiaolong , Shih Weichung Joe , Ouyang S. Peter , DeLap Robert J. 
Published: September 2010

AbstractAfter multi‐regional clinical trials (MRCTs) have demonstrated overall significant effects, evaluation for a region‐specific effect is often important. Recent guidance (see, e.g. 1) from regulatory authorities regarding evaluation for possible country‐specific effects has led to research on statistical designs that incorporate such evaluations in MRCTs. These statistical designs are intended to use the MRCTs to address the requirements for global registration of a medicinal product. Adding a regional requirement could change the probability for declaring positive effect for the region when there is indeed no treatment difference as well as when there is in fact a true difference within the region. In this paper, we first quantify those probability structures based on the guidance issued by the Ministry of Health, Labour and Welfare (MHLW) of Japan. An adaptive design is proposed to consider those probabilities and to optimize the efficiency for regional objectives. This two‐stage approach incorporates comprehensive global objectives into an integrated study design and may mitigate the need for a separate local bridging study. A procedure is used to optimize region‐specific enrollment based on an objective function. The overall sample size requirement is assessed. We will use simulation analyses to illustrate the performance of the proposed study design. Copyright © 2010 John Wiley & Sons, Ltd.
Encapsulation of the interstellar abundant H3+ in a C60 fullerene
Authors: Ramachandran C. N. , Ruckenstein Eli 
Published: September 2010

AbstractThe possible encapsulation of the interstellar abundant H3+ ion inside a C60 fullerene cage has been examined by using the Hartree‐Fock (HF) and the second order Møller‐Plesset perturbation (MP2) methods both with the 6‐31G** basis set. It was found that H3+ forms various stable endohedral complexes inside the cage. Six configurations have been examined among which four were stable compared with the separated initial species, the dissociated H2 + H+ inside the cage being the most stable. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Theory of chemical bonds in metalloenzymes. XV. Local singlet and triplet diradical mechanisms for radical coupling reactions in the oxygen evolution complex
Authors: Yamaguchi Kizashi , Shoji Mitsuo , Saito Toru , Isobe Hiroshi , Nishihara Satomichi , Koizumi Kenichi , Yamada Satoru , Kawakami Takashi , Kitagawa Yasutaka , Yamanaka Shusuke , Okumura Mitsutaka 
Published: September 2010

AbstractReaction mechanisms of oxygen evolution in native and artificial photosynthesis II (PSII) systems have been investigated on the theoretical grounds, together with experimental results. First of all, our previous broken‐symmetry (BS) molecular orbitals (MO) calculations are reviewed to elucidate the instability of the dπ‐pπ bond in high‐valent (HV) Mn(X)O systems and the dπ‐pπ‐dπ bond in HV MnOMn systems. The triplet instability of these bonds entails strong or intermediate diradical characters: •Mn(IV)O• and •MnOMn•; the BS MO resulted from strong electron correlation, leading to the concept of electron localizations and local spins. The BS computations have furthermore revealed guiding principles for derivation of selection rules for radical reactions of local spins. As a continuation of these theoretical results, the BS MO interaction diagrams for oxygen‐radical coupling reactions in the oxygen evolution complex (OEC) in the PSII have been depicted to reveal scope and applicability of local singlet diradical (LSD) and local triplet diradical (LTD) mechanisms that have been successfully utilized for theoretical understanding of oxygenation reactions mechanisms by p450 and methane monooxygenase (MMO). The manganese‐oxide cluster models examined are London, Berlin, and Berkeley models of CaMn4O4 and related clusters Mn4O4 and Mn3Ca. The BS MO interaction diagrams have revealed the LSD and/or LTD mechanisms for generation of molecular oxygen in the total low‐, intermediate and high‐spin states of these clusters. The spin alignments are found directly corresponding to the spin‐coupling mechanisms of oxygen‐radical sites in these clusters. The BS UB3LYP calculations of the clusters have been performed to confirm the comprehensive guiding principles for oxygen evolution; charge and spin densities by BS UB3LYP are utilized for elucidation and confirmation of the LSD and LTD mechanisms. Applicability of the proposed selection rules are examined in comparison with a lot of accumulated experimental and theoretical results for oxygen evolution reactions in native and artificial PSII systems. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Identification of Fe‐polycarboxylic complexes by electrospray ionization mass spectrometry and reduction of interferences by ion chromatography/inductively coupled plasma mass spectrometry with an octopole reaction system
Authors: Chen Zu‐Liang , Jin Xiao‐ying , Gan Li 
Published: September 2010

AbstractStable complexes are required during the ion chromatographic (IC) separation of Fe‐polycarboxylic acid complexes. Electrospray ionization mass spectrometry (ESI‐MS) was used to identify 1:1 stoichiometric complexes of Fe[HEDTA], Fe[EDTA]1− and Fe[DTPA]2−, and the spectra showed that these Fe complexes were stable in solution. Furthermore, inductively coupled plasma mass spectrometry (ICP‐MS) using an octopole reaction system (ORS) reduced polyatomic ion 40Ar16O+ interference in the detection of 56Fe via the addition of either H2 or He to the ORS, with He at a flow rate 3.5 mL min−1 being the optimum collision gas. Finally, IC/ICP‐MS was used for the separation and detection of Fe complexes with an eluent containing 30 mM (NH4)2HPO4 at pH 8.0, but only Fe[HEDTA], Fe[EDTA]1− and Fe[DTPA]2− were observed within 10 min with reasonable resolution. Detection limits in the range of 10–13 µg L−1 were achieved using He as the collision gas. The proposed method was used for the determination of Fe species in soil solutions. Copyright © 2010 John Wiley & Sons, Ltd.
Using independence to enable parallelism on multicore computers
Authors: Knudsen Svend E. 
Published: September 2010

AbstractA simple programming abstraction based on the notion of independence is introduced as a means for mapping the independence inherent in an algorithm explicitly into its programmed solution. This enables a compiler and runtime system to exploit the independence and achieve efficient parallelism of execution on multicore processors. The constructs needed to express mutual independence among statements are proposed and their implementation in iOberon, an extension of the Active Oberon programming language, is defined. The programming language extensions, runtime support, and performance measurements are described in detail. We believe that this concept of specifying local disjoint program fragments can be applied to other programming languages. Copyright © 2010 John Wiley & Sons, Ltd.
Monitoring retrogradation in liquorice‐type sweets of different size and hardness
Authors: Díaz Pedro , Ros José María , Bañón Sancho 
Published: September 2010

AbstractFour different liquorice‐type sweets (LTS) were compared: LS: long stick (253 mm length × 9 mm diameter) + soft recipe (3% w/w acetylated starch; 49/21 w/w sugar/glucose syrup ratio); LH: long stick + hard recipe (6%; 24/42); SS: short stick (115 × 5 mm) + soft recipe; SH: short stick + hard recipe. The length values were used to establish short‐term retrogradation kinetics using Avrami's crystallisation model. The subsequent hardness (48 h) was checked. The retrogradation was faster in the hard recipes. The shortening kinetics could be explained by Avrami's model. The equations Log [‐Ln θ] vs. Log (t) used to calculate the constants of retrogradation (k) and Avrami's coefficients (n) presented R2 values of between 0.98 and 0.99. The mean k.103 (min−n) values were: SH (111.5) > LS (110.9) > LH (97.3) > SS (92.2), while the mean n values were: LH (0.722) > SH (0.680) > SS (0.669) > LS (0.537). Differences in hardness between recipes were only detected (p < 0.05) in long sticks, which showed more pronounced differences in the retrogradation rate. This suggests that the rate of retrogradation could be related with subsequent LTS hardness. Thus, the on‐line control of shortening is proposed for monitoring the rate of retrogradation in LTS.
Effects of cross‐linking on the rheological and thermal properties of sweet potato starch
Authors: Kim Bea‐Young , Yoo Byoungseung 
Published: September 2010

AbstractSweet potato starches were modified with three different concentrations of phosphorus oxychloride (POCl3) (0.01, 0.02, and 0.03%, based on dry weight of starch) as a cross‐linking agent. The effects of crosslinking on rheological and thermal properties of sweet potato starch (SPS) pastes were evaluated. Cross‐linking considerably reduced the swelling power, consistency index (K), apparent viscosity (ηa), and yield stress (σoc) values of SPS, which significantly decreased with increase in POCl3 concentration. The gelatinization temperature (Tp) and enthalpy (ΔH) values of the cross‐linked SPS, which were determined using differential scanning calorimetry, were higher than those of native SPS. Storage modulus (G′), loss modulus (G″), and complex viscosity (η*) of the cross‐linked SPS pastes determined using small deformation oscillatory rheometry, were higher than native starch, and they also decreased with increase in POCl3 concentration from 0.01 to 0.03%. The tan δ (ratio of G″/G′) values (0.15–0.19) of the cross‐linked SPS samples were much lower than that (0.37) of the native SPS, indicating that the elastic properties of the SPS pastes were strongly influenced by modifications from cross‐linking. Finally, Cox–Merz plots showed that η* was much higher than ηa for the cross‐linked SPS pastes.