bluuebunny/crossref_metadata_2025 huggingface dataset:
Exercise echocardiography in asymptomatic survivors of childhood cancer treated with anthracyclines: A prospective follow‐up study
Authors: Sieswerda Elske , Kremer Leontien C.M. , Vidmar Suzanna , De Bruin Marie L. , Smibert Elizabeth , Sjöberg Gunnar , Cheung Michael M.H. , Weintraub Robert G.
Published: December 2009

Background

Exercise echocardiography reveals abnormalities in asymptomatic childhood cancer survivors who previously have been treated with anthracyclines. We determined the added value of monitoring childhood cancer survivors with exercise echocardiography compared to monitoring with resting echocardiography alone to predict anthracycline‐induced cardiotoxicity. Secondary aims were to evaluate change in resting cardiac function over 10 years and to determine risk factors for late cardiotoxicity.

Procedure

We invited a cohort of 110 originally asymptomatic anthracycline‐treated childhood cancer survivors, who had undergone cardiac tests including exercise echocardiography 10.5 years earlier, for new cardiac evaluation. Each subject underwent a resting echocardiogram at both evaluations. At first evaluation a repeat echocardiogram was performed following peak exercise. Resting echocardiographic parameters were converted to z‐character.

Results

Ninety‐two of 110 survivors (mean anthracycline dose 307 mg/m2, mean follow‐up time from start of treatment 8.2 years at first and 18.8 years at second evaluation) were evaluated prospectively. Mean resting fractional shortening z‐character (RFSz) decreased from −0.18 to −0.93. Higher cumulative anthracycline dose was a risk factor for a lower RFSz at late follow‐up (P = 0.0002). Adding exercise fractional shortening (XFS) to a model containing RFSz did not improve prediction of abnormal RFSz at late follow‐up.

Conclusions

Monitoring with exercise echocardiography has no added value to monitoring with resting echocardiography alone in predicting late anthracycline‐induced cardiotoxicity in childhood cancer survivors. RFSz deteriorates over time, even in originally asymptomatic patients. Previous treatment with higher cumulative anthracycline dose is the main risk factor for a lower RFSz at late follow‐up. Pediatr Blood Cancer 2010;54:579–584. © 2009 Wiley‐Liss, Inc.
Closed form solution of resin flow from multiple line gates in liquid composite molding
Authors: Markicevic B. , Nalla A. , Navaz H.K. , Heider D. , Walsh S. , Advani S.G.
Published: December 2009

The resin flow from multiple line injection into a fibrous porous medium is investigated analytically and experimentally. The flow in a rectangular porous medium is created by placing two inlets: a channel along one of the domain edges, and a manifold placed in the center of the domain perpendicular to the first inlet on the top surface of the porous medium. It is demonstrated that two distinct sub‐regions of the porous medium exist: inner sub‐region which is filled by the liquid from the manifold, and outer sub‐region that is filled by fluid from the channel. In the experiments, the following geometric parameters are varied: channel cross‐sectional area, mold width, and thickness to investigate how the processing parameters influence which part of the overall domain is filled by fluid from a specific inlet. Neither fluid nor porous medium are varied throughout the study. For nonconstrained flow, an analytical model is formulated to predict the interface between the two sub‐regions which is called the inner sub‐region thickness. Both, implicit and explicit solutions are found, where the explicit solution is represented as inverse Lambert function. The solution relies on one physical constant which is a function of the pressure gradients and the directional permeabilities of the fibrous preform. Comparisons between experimental and analytical results reveal an excellent agreement for various sets of geometric parameters. This research should prove useful in understanding the flow in composites manufacturing when resin is injected simultaneously from multiple gates and channels. POLYM. COMPOS., 31:1434–1441, 2010. © 2009 Society of Plastics Engineers
Nonisothermal melt crystallization kinetics of poly(ethylene terephthalate)/Barite nanocomposites
Authors: Ge Chunhua , Shi Liyi , Yang Hui , Tang Shengfu
Published: December 2009

Poly(ethylene terephthalate) (PET)/Barite nanocomposites were prepared by direct melt compounding. The nonisothermal melt crystallization kinetics of pure PET and PET/Barite nanocomposites, containing unmodified Barite and surface‐modified Barite (SABarite), was investigated by differential scanning calorimetry (DSC) under different cooling rates. With the addition of barite nanoparticles, the crystallization peak became wider and shifted to higher temperature and the crystallization rate increased. Several analysis methods were used to describe the nonisothermal crystallization behavior of pure PET and its nanocomposites. The Jeziorny modification of the Avrami analysis was only valid for describing the early stage of crystallization but was not able to describe the later stage of PET crystallization. Also, the Ozawa method failed to describe the nonisothermal crystallization behavior of PET. A combined Avrami and Ozawa equation, developed by Liu, was used to more accurately model the nonisothermal crystallization kinetics of PET. The crystallization activation energies calculated by Kissinger, Takhor, and Augis‐Bennett models were comparable. The results reveal that the different interfacial interactions between matrix and nanoparticles are responsible for the disparate effect on the crystallization ability of PET. POLYM. COMPOS., 31:1504–1514, 2010. © 2009 Society of Plastics Engineers
Microstructural characteristics of glass bead‐ and wollastonite‐filled isotactic‐polypropylene composites modified with thermoplastic elastomers
Authors: Balkan Onur , Ezdeşir Ayhan , Demirer Halil
Published: December 2009

Microstructural characteristics of isotactic‐polypropylene/glass bead (iPP/GB) and iPP/wollastonite (iPP/W) composites modified with thermoplastic elastomers, poly(styrene‐b‐ethylene‐co‐butylene‐b‐styrene) copolymer (SEBS) and corresponding block copolymer grafted with maleic anhydride (SEBS‐g‐MA), were investigated. Scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and dynamic mechanical analyses (DMA) showed that the iPP/SEBS and iPP/SEBS‐g‐MA blends were partially compatible two‐phase systems. Well‐dispersed spherical GB and acicular W particles without evidence of interfacial adhesion were observed in the iPP/GB and iPP/W binary composites respectively. Contrary to the blends, melt flow rates of the iPP/GB and PP/W composites decreased more with SEBS‐g‐MA than with SEBS because of enhanced interfacial adhesion with SEBS‐g‐MA elastomer. The SEM analyses showed that the ternary composites containing SEBS exhibited separate dispersion of the rigid filler and elastomer particles (i.e., separate microstructure). However, SEBS‐g‐MA elastomer not only encapsulated the spherical GB and acicular W particles completely with strong interfacial adhesion (i.e., core‐shell microstructure) but also dispersed separately throughout iPP matrix. In accordance with the SEM observations, the DSC and DMA revealed quantitatively that the rigid filler and SEBS particles in iPP matrix acted individually, whereas the rigid filler particles in the ternary composites containing SEBS‐g‐MA acted like elastomer particles because of the thick elastomer interlayer around the filler particles. The Fourier transform infrared analyses revealed an esterification reaction inducing the strong interfacial adhesion between the SEBS‐g‐MA phase and the filler particles. POLYM. COMPOS., 31:1265–1284, 2010. © 2009 Society of Plastics Engineers
Usefulness of prescription monitoring programs for surveillance—analysis of Schedule II opioid prescription data in Massachusetts, 1996–2006
Authors: Katz Nathaniel , Panas Lee , Kim MeeLee , Audet Adele D. , Bilansky Arnold , Eadie John , Kreiner Peter , Paillard Florence C , Thomas Cindy , Carrow Grant
Published: December 2009

Purpose

Electronic prescription monitoring programs (PMPs) have been developed in many states as a public health surveillance tool. We analyze herein 11 years of Massachusetts PMP data to evaluate trends in opioid prescribing, dispensing, and usage.

Methods

Prescription records from the Massachusetts PMP for Schedule II opioids from fiscal year 1996 to 2006 were analyzed. ‘Questionable activity’ (potential ‘doctor shopping’) estimates were based on individual use of multiple prescribers and pharmacies, and early refills.

Results

The number of prescriptions, doses prescribed, and individuals receiving Schedule II prescription opioids steadily increased from 1996 to 2006. Most individuals (87.5%) used 1–2 prescribers, 1–2 pharmacies, and had no early refills (2006). The greater the number of prescribers used, the greater the number of pharmacies used. When defined as the use of ≥4 prescribers and ≥4 pharmacies, questionable activity accounted for 2748 individuals, 47 953 prescriptions, and 2 966 056 doses (2006). The Schedule II opioid most highly associated with questionable activity was short‐acting oxycodone.

Conclusions

PMPs can become a useful public health surveillance tool to monitor the medical and non‐medical use of prescription opioids and to inform public health and safety policy. Copyright © 2009 John Wiley & Sons, Ltd.
Patient focused drug surveillance of elderly patients in nursing homes
Authors: Olsson Inger Nordin , Curman Bengt , Engfeldt Peter
Published: December 2009

Purpose

To examine whether patient focused drug surveillance was associated with a higher quality of drug treatment at nursing homes.

Methods

An intervention study in four nursing homes in Sweden and four other nursing homes served as controls. At the intervention nursing homes physicians focused on patients' health status as a baseline for further ongoing medication. The outcomes were mortality, health care consumption, and number of drugs, health status and evaluations as parameters for “quality of drug treatment”.

Results

There were no significant differences in mortality rates. Health care consumption and polypharmacy were extensive in both groups. There was a significant reduction of number of drugs used per patient at the intervention homes during the study (p < 0.05). Monitoring and evaluation of the effects of medications were significantly more frequent at the intervention homes (p < 0.01).

Conclusions

The intervention resulted in significant positive results in relation to “quality of drug treatment”, a shift in health care utilization with concomitant use of fewer drugs. The study showed an extreme shortage of monitoring of health status and surveillance of the effects of drugs in the elderly. Copyright © 2009 John Wiley & Sons, Ltd.
Influence of ammonium polyphosphate on the flame retardancy and mechanical properties of ramie fiber‐reinforced poly(lactic acid) biocomposites
Authors: Shumao Li , Jie Ren , Hua Yuan , Tao Yu , Weizhong Yuan
Published: December 2009

Fully degradable natural fiber/degradable polymer composites have received much research attention and have various applications such as in automotive components. But flammability limits their application; it is important to improve the flame retardancy of fully degradable composites with environmentally friendly flame retardants. Flame‐retarded ramie fiber‐reinforced poly(lactic acid) (PLA) composites were prepared using three processes: (1) PLA was blended with ammonium polyphosphate (APP), and then the resulting flame‐retarded PLA was combined with ramie fibers; (2) ramie fibers underwent flame‐retardant treatment with APP, which were then compounded with PLA; and (3) PLA and ramie, both of which had been flame‐retarded using APP, were blended together. The APP in the composites is shown to be very effective in improving flame retardancy according UL94 test and limiting oxygen index measurements. Thermogravimetric analysis shows that the improved flame retardancy is due to increased char residue at high temperature. The loading of APP disturbs the compatibility between PLA and fibers, which can be directly observed using scanning electron microscopy. Furthermore it has an influence on the dynamic mechanical properties and mechanical properties according dynamic mechanical analysis and mechanical measurements. The results show that composites produced using the third process not only have the best flame retardancy but also comparatively better mechanical properties. Copyright © 2009 Society of Chemical Industry
The role of communication and support in return to work following cancer‐related absence
Authors: Yarker J. , Munir F. , Bains M. , Kalawsky K. , Haslam C.
Published: December 2009

Objective: Many cancer survivors experience difficulties returning to work. However, there have been relatively few attempts to understand why problems with employer support and work adjustment occur. This paper aims to extend previous work in two ways: first, through exploring the way in which communication and support at work effect cancer survivors on their return to work and during the post‐return period; and second, by drawing on a research sample working in the United Kingdom.

Methods: In all, 26 cancer survivors took part in a semi‐structured telephone interview. Interviews were transcribed and analysed using thematic analysis.

Results: The analysis revealed three key findings. First, the central role of communication and support from (and between) occupational health, line managers, and colleagues was highlighted. Second, two discrete processes or periods of return to work were identified: the experience of return to work during the initial period of return and the experiences of post‐return to work. Third, during the post‐return period, the importance of the delayed impact of cancer on the ability to work, the lack of follow‐up and monitoring, and the wear‐off effect of empathy and support were highlighted as contributing to return‐to‐work difficulties.

Conclusions: This qualitative study highlights the importance of communication within the workplace with regard to the return‐to‐work process and the need to provide better support and guidance to cancer survivors, line managers and colleagues. Research is required in delineating how employers without occupational health or human resources support manage the return‐to‐work process. Copyright © 2009 John Wiley & Sons, Ltd.
Social support buffers the impact of functional impairments on caregiver psychological well‐being in the context of brain tumor and other cancers
Authors: Ownsworth Tamara , Henderson Laura , Chambers Suzanne K
Published: December 2009

Objective: This study investigated the association between functional impairments of individuals with cancer and caregiver psychological well‐being, and examined the moderating effect of social support.

Methods: Sixty‐three caregivers (71% female) of individuals with brain tumor (n=27) and other cancers (n=36) were recruited from community services. Caregivers rated their psychological well‐being on the World Health Organisation Quality of Life measure Brief version, social support on a brief version of the Social Support Questionnaire, and the individuals' functional impairments on the Patient Competency Rating Scale.

Results: For caregivers of individuals with brain tumor, better psychological well‐being was associated with lower functional impairment in all domains (rs=0.33–38, p<0.05), except for cognitive difficulties. For caregivers of individuals with other cancers, better psychological well‐being was associated with lower functional impairment in all domains (rs=0.30–0.49, p<0.05), with the exception of activities of daily living. For the total caregiver sample, better psychological well‐being was significantly correlated with overall functional impairment (r=0.34, p<0.005) and satisfaction with support (r=0.40, p<0.005). Caregivers supporting individuals with greater functional impairment had better psychological well‐being if they were highly satisfied with their social support.

Conclusions: Effective social support is particularly important for caregivers who support individuals with poorer functional status, and this study highlights the need to evaluate caregiver social support interventions in the context of cancer. Copyright © 2009 John Wiley & Sons, Ltd.
Real‐Time Measurement of the Size Distribution of Diesel Exhaust Particles using a Portable 4‐stage Electrical Low Pressure Impactor
Authors: Park Dongho , Choi Nak‐Kyoung , Lee Sang‐Gu , Hwang Jungho
Published: December 2009

For this study, a 4 stage electrical low pressure impactor was designed to measure the real‐time size distribution of diesel particulate matter (DPM). For the performance evaluation, sodium chloride (NaCl) particles and dioctyl sebacate (DOS) particles were used. After evaluating the collection efficiency of each stage of the impactor, the size distributions of test particles were estimated using electrical current data and their inversion algorithm, and this was found to agree with the results obtained by a scanning mobility particle sizer (SMPS). For measurement of DPM, a common‐rail direct injection (CRDI) diesel engine, for engine speeds of 1,200 rpm and 1,500 rpm at 2.7 kgf·m, was used.

Therefore, it was found that the size distribution of the DPM could be easily obtained, with the currents measured by the impactor and the data inversion algorithm, in less than 5 seconds. Furthermore, the effective density of the DPM could be obtained using the calculated results and the SMPS data.
Simple Relationship for Predicting Impact Sensitivity of Nitroaromatics, Nitramines, and Nitroaliphatics
Authors: Keshavarz Mohammad Hossein
Published: December 2009

This paper describes the development of a simple model for predicting the impact sensitivity of nitroaromatics, benzofuroxans, nitroaromatics with α‐CH, nitramines, nitroaliphatics, nitroaliphatics containing other functional groups, and nitrate energetic compounds using their molecular structures. The model is optimized using a set of 86 explosives for which different structural parameters exist. The model is applied to a test set of 120 explosives from a variety of the mentioned chemical families in order to confirm the reliability of a new method. Elemental composition and two specific structural parameters, that can increase or decrease impact sensitivity, would be needed in this new scheme. The predicted impact sensitivities for both sets have a root mean square (rms) of deviation from experiment of 23 cm, which shows good agreement with respect to the measured values as compared to the best available empirical correlations.
Studies on the Non‐isothermal Crystallization Behavior of Aluminum Nanopowder‐Filled Poly(3,3‐bis‐azidomethyl Oxetane)
Authors: Luo Yunjun , Guo Kai
Published: December 2009

Non‐isothermal crystallization of aluminum nanopowder‐filled poly(3,3‐bis‐azidomethyl oxetane) (PBAMO) from melt at various constant cooling rates from 1 to 10 °C min−1 was studied. Ozawa's approach was used to analyze non‐isothermal crystallization kinetics. It was found that Ozawa's approach was effective at medium constant cooling rate. The crystallization activation energy derived from Kissinger's equation was 80.8 kJ mol−1. The experimental results showed that the aluminum nanopowder acted as a nucleating agent to raise the peak crystallization temperature and to accelerate the crystallization rate at higher constant cooling rates. Uniform crystals which showed one melting peak could be obtained at a constant cooling rate of 1 °C min−1.
Micro Videographic Analysis of the Melt Layer of Self‐Deflagrating HMX and RDX
Authors: Washburn Ephraim B. , Parr Timothy P. , Hanson‐Parr Donna M.
Published: December 2009

Micro videographic analysis of the thin molten layer on the surface of HMX (Octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine) and RDX (Hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine) during self deflagration were performed. This was done to gain a better understanding of the physical structure present in this 100–300 μm layer and give a visual picture for the development of computational models. During steady‐state combustion, RDX had a consistent melt layer with vigorous bubble formation. There was a continuous liquid layer throughout combustion and no foam was formed. The surface of HMX during steady‐state combustion at ambient initial temperatures was an uneven layer of foam. Foam appeared to convect across the surface in undulating waves. At elevated initial temperatures, the HMX molten layer was a consistent foam layer in both time and space. Micro videography was also done with a diagnostic laser sheet as illumination to measure the melt layer thickness. The RDX bubbling layer was about 217±30 μm thick. The HMX foam thickness varied from almost nothing to 660 μm, with an average value of about 234±106 μm.
Unexpected transport and magnetic properties in Y–Ba–Cu–O superconductors
Authors: Topal Ugur
Published: December 2009

Solid‐state reactions of Y2O3, BaCO3, and CuO mixtures at stoichiometric ratios of YBa4Cu6Ox reveal superconducting products having quite interesting and unusual properties. For instance, superconducting transition Tc at 90 K even without annealing in oxygen flow could be observed. Existence of a ferromagnetic‐like behavior was recognized at low temperatures and magnetic fields greater than 1 T. Critical current densities are higher than the one expected from a polycrystalline superconductor. In addition, intergranular Jct‐values obtained from the transport measurements show strong magnetic field dependency. Magnetic fields of ∼6.4 Oe decrease Jct by about 62% in magnitude. These materials seem to be good candidate for a low field sensor in superconducting gaussmeters.
Brittle‐to‐ductile transition temperature in InP
Authors: Bayu‐Aji Leonardus B. , Pirouz P.
Published: December 2009

Deformation experiments were conducted on monocrystalline InP by 4‐point bend tests as well as by conventional and depth‐sensing indentation (DSI) tests. Temperature ranges where the material exhibited a brittle or a ductile behavior were investigated with particular focus on the transition from one deformation mode to the other. The 4‐point bend tests show that InP exhibits a sharp brittle‐to‐ductile transition (BDT) temperature within 5° between 350 and 355 °C at a strain rate of 2.9 × 10−5 s−1. The indentation BDT (IBDT) temperature is found to be significantly lower at ∼250 °C. The difference of nearly 100 °C between the two techniques is attributed to the hydrostatic component of the indentation stress field that suppresses fracture and shifts the transition to a lower temperature.
Threshold voltage shift under electrical stress in amorphous, polymorphous, and microcrystalline silicon bottom gate thin‐film transistors
Authors: Oudwan Maher , Moustapha Oumkelthoum , Abramov Alexey , Daineka Dmitriy , Bonnassieux Yvan , Cabarrocas Pere Roca i
Published: December 2009

The crucial influence of the interface between the gate dielectric and intrinsic layer has been studied in detail for amorphous silicon, polymorphous silicon and microcrystalline silicon bottom gate thin‐film transistors. We show that the electrical parameters of the TFTs depend directly on the quality of this interface, which can be strongly degraded by a vacuum break. A hydrogen plasma pretreatment of this interface greatly improves the electrical characterstics of polymorphous silicon TFTs, the mobility increases from 0.4 to 0.75 cm2/V s while their subthreshold slope decreases from 1 to 0.7 V/dec. Moreover, we show that these improvements also translate into more stable TFT characteristics. Finally, microcrystalline silicon TFTs show the best stability and a nitrogen‐plasma treatment of the dielectric improves their stability.
The red luminescence characteristics of fully concentrated Eu‐based phosphor EuBaB9O16
Authors: Lin Hao , Huang Yanlin , Seo Hyo Jin
Published: December 2009

The red phosphor EuBaB9O16 was prepared by the conventional solid‐state reaction method. The crystallite phase of the phosphor was observed by X‐ray diffraction (XRD) patterns. Scanning electron micrographs were obtained to study the morphologic features and the particle size of the phosphor. The photoluminescence (PL) excitation and emission spectra, temperature dependence of luminescence intensity and the decay curves were investigated. The phosphor, when excited with near‐UV wavelength radiation, exhibited an intense red luminescence. The characteristic emission of Eu3+ ions corresponding to the electric dipole transition 5D0 → 7F2 was located at 613 nm under 254‐ and 365‐nm excitation. Its room temperature fluorescent decay profile exhibits a single‐exponent shape with a decay time of 2.03 ms. The color coordinates were also discussed. In addition, the PL properties of EuBaB9O16 were compared with those of La0.9Eu0.1BaB9O16 and Gd0.9Eu0.1BaB9O16.
Band alignment at metal–semiconductor and metal–oxide interfaces
Authors: Robertson John
Published: December 2009

The mechanisms of Schottky barrier formation are reviewed from the metal‐induced gap state model to the universal defect model, and the chemical reaction model. The recent progress in understanding barrier heights and band offsets in Si – high dielectric constant oxide and metal high dielectric constant oxide systems is then discussed, and interesting they contain components of each model. The greater emphasis on understanding defect reactions has allowed us to separate the effects of intrinsic mechanisms, metal induced gap states (MIGS) and extrinsic mechanisms (defects).
Sulfide anion interaction with Cu(1 0 0) and Cu modified Au(1 0 0): An electrochemical STM study
Authors: Schlaup Christian , Spaenig Alexander , Broekmann Peter , Wandelt Klaus
Published: December 2009

We describe the formation of thin copper sulfide semiconductor films under electrochemical conditions. In a first step we investigated the fundamental interaction of the Cu(1 0 0) surface with a sulfide anions containing electrolyte. Beside the classical p(2 × 2)‐S and c(2 × 6)‐S adlayer phases we found the formation of a closer packed “pseudo‐c(2 × 2)”‐S phase accompanied by an expansion of the topmost copper layer. For a further investigation of this “pseudo‐c(2 × 2)”‐S phase, we switched from the bulk Cu(1 0 0) electrode to a copper monolayer on a Au(1 0 0) electrode, which can be easily prepard using copper underpotential deposition. Since such a copper monolayer is pseudomorphic to the Au(1 0 0) surface and therefore expanded by 12.5% with respect to the bulk Cu(1 0 0)‐plane, exclusively a commensurate c(2 × 2)‐S structure is instantaneously formed and remains stable over a wide potential range.
Charge spectroscopy of Si nanocrystals in a SiO2 matrix [Phys. Status Solidi C 6, No. 12, 2704–2706 (2009)]
Authors: Antonova Irina , Neustroev Efim , Smagulova Svetlana , Jedrzejewski Jedrzej , Balberg Isaac
Published: December 2009

Due to a regrettable error during the production process the author's list contains an error. The corrected list of authors with the assignment to the affiliations is as follows:

Irina Antonova1, Efim Neustroev2, Svetlana Smagulova2, Jedrzej Jedrzejewski3, and Isaac Balberg3

1 Institute of Semiconductor Physics, SB RAS, 630090, Lavrentieva 13, Novosibirsk, Russia

2 Yakutsk state University, Yakutsk, Russia

3 The Racah Institute of Physics, The Hebrew University, Jerusalem, Israel
A panel study to evaluate quality of life assessments in patients suffering from allergic rhinitis after treatment with a Chinese herbal nasal drop
Authors: Chui Shiu Hon , Shek Siu Lam , Fong Ming Yiu , Szeto Yim Tong , Chan Kelvin
Published: December 2009

Allergic rhinitis impairs quality of life (QOL). To assess the changes in QOL of patients with perennial allergic rhinitis (PAR) after treatment with Allergic Rhinitis Nose Drops (ARND), 35 patients were divided into 2 groups in a randomized, double‐blinded and placebo‐controlled study, with a cross‐over arrangement over 7 weeks, applying ARND or placebo. Group A (n = 20) started with ARND first for 2 weeks followed by a 3‐week washout before placebo for the last 2 weeks, while Group B (n = 15) started with placebo first and finished with ARND after washout. The changes in Clinical Symptoms Score (CSS) and QOL were observed. A decrease in CSS was observed in patients of both groups after treatment with ARND, but no change was observed with the placebo. Group A patients also showed significant improvements in complexion and sleep (P < 0.05 for both) after treatment with ARND, but no change with the placebo. Group B patients showed significant improvements in appetite and digestion (P < 0.01) as well as joy (P < 0.05) after cross‐over treatment with ARND, but no change with the placebo. ARND may have a therapeutic effect by relieving clinical symptoms and improving the QOL in patients with PAR. Copyright © 2009 John Wiley & Sons, Ltd.
Application of Computational Chemistry in Characterization of Solid Phase Microextraction Fibers for Selective Sorption of Drugs
Authors: Nowaczyk Alicja , Nowaczyk Jacek , Ligor Tomasz , Buszewski Bogusław
Published: December 2009

The solid phase microextraction fibers covered with polypyrrole obtained via a new way of electrochemical synthesis were characterized and studied in selective sorption of drugs.
Quantitative Structure Activity Relationship Analysis of Dicationic Diphenylisoxazole as Potent Anti‐Trypanosomal Agents
Authors: Paliwal Sarvesh , Narayan Ankita , Paliwal Shailendra
Published: December 2009

The chemotherapy of African trypanosomiasis currently centers on only small numbers of drugs, most of which were discovered more than forty years ago and are plagued by various problems ranging from poor oral absorption, acute toxicities, short duration of action and uncertainty about the mechanism of action. In quest of possible ways to understand the structural requirement for anti‐trypanosomal activity we found that QSAR analysis can be powerful tool for the design of new novel chemical entities with enhanced inhibitory potencies against Trypanosome brucei rhodesiense. In view of this QSAR analysis was performed using TSAR 3D version 3.3 software on series of 43 dicationic 3, 5‐diphenylisoxazoles derivatives. More than 200 physicochemical and topological descriptors were calculated and examined. Out of these descriptors statistically significant descriptors were selected by applying data reduction. Several statistical expressions were developed using stepwise multiple linear regression analysis (MLR) and partial least squares (PLS). The best MLR model showed good correlative and predictive ability with r=0.94, r2=0.88 and r$\rm{ {_{cv}^{2}}}$=0.84 and a comparable PLS model with r$\rm{ {_{cv}^{2}}}$=0.84 was obtained. The developed model was further validated by leave‐one‐out method of cross‐validation and prediction of test set. The study indicates that the anti‐trypanosomal activity is largely explained by cosmic energy, log P and total lipole descriptors. The QSAR study reported in present study provides important structural insights, related to anti‐trypanosomal activity.
Pharmacophore Guided 3D‐QSAR CoMFA Analysis of Amino Substituted Nitrogen Heterocycle Ureas as KDR Inhibitors
Authors: Lu Xiaoyun , Chen Yadong , You Qidong
Published: December 2009

Vascular endothelial growth factor‐2 receptors (VEGR‐2) or kinase insertdomain receptor (KDR) is a promising target for the development of novel anticancer drugs. To understand the structural basis for KDR inhibitory activity, 3D‐QSAR study using CoMFA analysis was performed on a set of amino substituted nitrogen heterocyclic urea derivatives. Due to the flexibility and structural diversity of investigated derivatives, we applied pharmacophore based alignment to construct reliable 3D‐QSAR models. The pharmacophore model was generated based on the verified docked conformation of compound 2 with KDR crystal structure using LigandScout 2.0 software. The constructed CoMFA model produced reasonable statistics, with $\rm{r_{{\rm{cv}}}^2 }$=0.507 and conventional r2=0.982. The predictive power of the developed model was obtained using a test set of 16 molecules, giving predictive correlation coefficient of 0.540. Molecular modeling and CoMFA contour analysis were performed to obtain useful information about the structural requirements for the KDR inhibitors which could be utilized in its future design.
Understanding the Aquatic Toxicity of Pesticide: Structure‐Activity Relationship and Molecular Descriptors to Distinguish the Ratings of Toxicity
Authors: Wang Gaoxue , Li Yan , Liu Xiaolin , Wang Yonghua
Published: December 2009

The purpose of this work is to develop robust, interpretable structure‐activity relationship (SAR) models for assessing the aquatic toxicity of pesticides. A data set of 1600 chemicals involving 533 nontoxic (C0), 287 slightly toxic (C1), 329 moderately toxic (C2), 231 highly toxic (C3), and 220 very highly toxic compounds (C4) to aquatic organisms were collected in this work. Their chemical structures were encoded into 196 molecular descriptors including the 2D topological, electrotopological state variables as well as the MlogP and AlogP parameters. Two variable selection techniques, i.e., the Stepwise procedure and the Genetic Algorithms (GA), coupled with the linear discriminant analysis (LDA) were used to obtain stable and thoroughly validated QSARs. Our results reveal that the AlogP is capable of classifying the C0 versus C4 compounds with an accuracy rate of 70.4%, but is poor between other groups, while the MlogP does not show any pronounced correlation for aquatic toxicity for all the groups. By using all the theoretical descriptors, the GA‐LDA models for C(0,4) C(1,3), C(1,4), and C(2,4) classifications are acceptable with external prediction accuracies ranging from 66.3% to 80.6%. All these selected descriptors accounting for the molecular size, electrotopological state, and hydrophobicity were found to be crucial to modeling the aquatic toxicity. The robustness and the predictive performance of the proposed models were verified using both the internal (cross‐validation by leave‐one out, Y‐scrambling) and external statistical validations (randomly selected). Our results demonstrate that the Genetic Algorithms have a huge advantage over the Stepwise procedure for generating more reliable models, but by using much less descriptors for all the data sets.
Multi‐Objective Feature Selection in QSAR Using a Machine Learning Approach
Authors: Soto Axel J. , Cecchini Rocío L. , Vazquez Gustavo E. , Ponzoni Ignacio
Published: December 2009

The selection of descriptor subsets for QSAR/QSPR is a hard combinatorial problem that requires the evaluation of complex relationships in order to assess the relevance of the selected subsets. In this paper, we describe the main issues in applying descriptor selection for QSAR methods and propose a novel two‐phase methodology for this task. The first phase makes use of a multi‐objective evolutionary technique which yields interesting advantages compared to mono‐objective methods. The second phase complements the first one and it enables to refine and improve the confidence in the chosen subsets of descriptors. This methodology allows the selection of subsets when a large number of descriptors are involved and it is also suitable for linear and nonlinear QSAR/QSPR models. The proposed method was tested using three data sets with experimental values for blood‐brain barrier penetration, human intestinal absorption and hydrophobicity. Results reveal the capability of the method for achieving subsets of descriptors with a high predictive capacity and a low cardinality. Therefore, our proposal constitutes a new promising technique helpful for the development of QSAR/QSPR models.
Is Feature Selection Essential for ANN Modeling?
Authors: Goodarzi Mohammad , Deshpande Shreekant , Murugesan Vanangamudi , Katti Seturam B. , Prabhakar Yenamandra S.
Published: December 2009

In modeling approaches, artificial neural networks (ANNs) have a special place to address the nonlinear phenomena or curved manifold. Often one or other feature selection approach is used prior to ANN to feed the input variables for its models. The function of ‘selected’ versus ‘arbitrary’ features on the outcome of ANN models is investigated with a variety of objectively selected and arbitrarily chosen variables from chemical databases namely thiazolidinones, anilinoquinolines and piperazinoquinolines. For each database, its biological activity is considered as the dependent variable and the molecular descriptors from DRAGON software are used as explanatory variables. The selection sets are obtained from feature selection approaches namely, combinatorial protocol in multiple linear regression, stepwise regression and genetic algorithm. Apart from these, a large number of arbitrary sets have been created by randomly picking the descriptors from corresponding databases. The features of all sets have shown a variety of inter‐ and intra‐ set diversities. A three‐layer back propagation ANN with Levenberg‐Marquardt optimization algorithm has been used for modeling the phenomena. Regardless of the origin of the feature sets, the ANN models from a very large number of sets have well explained the activity and qualified themselves to be predictive models. Also, no specific pattern is apparent between the quality of ANN model and the origin of its input feature set. Since these results are unusual, the study is extended to a few more databases. All the results emphasized the innate ability of ANN in developing complex network of relations among features to estimate the target variable. This has prompted us to suggest that prior feature selection is not essential for ANN and it is a desirable option for meaningful outputs in terms of the rationale behind the inputs.
Applications of Bond‐Based 3D‐Chiral Quadratic Indices in QSAR Studies Related to Central Chirality Codification
Authors: Castillo‐Garit Juan A. , Marrero‐Ponce Yovani , Torrens Francisco , García‐Domenech Ramon , Rodríguez‐Borges J. Enrique
Published: December 2009

The concept of bond‐based quadratic indices is generalized to codify chemical structure information for chiral drugs, making use of a trigonometric 3D‐chirality correction factor. In order to evaluate the effectiveness of this novel approach in drug design, we have modeled several well‐known data sets. In particularly, Cramer's steroid data set has become a benchmark for the assessment of novel QSAR methods. This data set has been used by several researchers using 3D‐QSAR approaches. Therefore, it is selected by us for the shake of comparability. In addition, to evaluate the effectiveness of this novel approach in drug design, we model the angiotensin‐converting enzyme inhibitory activity of perindoprilate's σ‐stereoisomers combinatorial library, as well as codify information related to a pharmacological property, highly dependent on the molecular symmetry, of a set of seven pairs of chiralN‐alkylated 3‐(3‐hydroxyphenyl)‐piperidines, which bind σ‐receptors. The validation of this method is achieved by comparison with earlier publications applied to the same data sets. The nonstochastic and stochastic bond‐based 3D‐chiral quadratic indices appear to provide a rather interesting alternative to other more common 3D‐QSAR descriptors.
A Bibliometric Study of Quantitative Structure‐Activity Relationships and QSAR & Combinatorial Science
Authors: Willett Peter
Published: December 2009

This paper reviews the articles published in Volumes 4–27 of the journals Quantitative Structure‐Activity Relationships and of QSAR & Combinatorial Science, focusing on the articles published in the journals, citations to those articles, the most productive authors and countries, and the relationship of the journals to the more general chemical literature.
Leveraging internal and external experience: exploration, exploitation, and R&D project performance
Authors: Hoang Ha , Rothaermel Frank T.
Published: December 2009

Although one tenet in the alliance literature is that firms learn from prior experience, we posit that any potential learning effects depend on the type of experience. In particular, we hypothesize that alliance exploitation experience has positive effects on R&D project performance, while alliance exploration experience has negative effects. We further posit that an internal exploration competence allows firms to leverage their external exploitation experience more fully. In contrast, when firms combine internal exploitation experience with external exploration experience, the negative effects on R&D project performance become more pronounced. To test this integrative model of organizational learning, we leverage a unique and detailed dataset of 412 R&D projects in biotechnology conducted by large pharmaceutical companies between 1980 and 2000. Using a competing risk event history model predicting successful product approval versus project termination, we find support for our theoretical model. Copyright © 2010 John Wiley & Sons, Ltd.
When the glass is half full and half empty: CEOs' ambivalent interpretations of strategic issues
Authors: Plambeck Nils , Weber Klaus
Published: December 2009

Organizational scholars have highlighted the importance of interpretive ambivalence for mindfulness, creativity, and strategic change. Ambivalence occurs when an issue is seen simultaneously as positive and negative. We examine organizational factors that influence the propensity of organizational leaders to evaluate a new strategic issue ambivalently. Data come from a survey of 220 German CEOs confronted with the enlargement of the European Union. We find that CEOs of firms with a more ambidextrous strategic orientation and a moderate sense of organizational control over their environment are most likely to be ambivalent about this issue. Our findings affirm the prevalence of interpretive ambivalence at the executive level and suggest ways for organizations to promote or prevent ambivalence in strategic sensemaking. Copyright © 2010 John Wiley & Sons, Ltd.
The disturbing student and the judicial process
Authors: Ragle John D. , Paine Gage E.
Published: December 2009

In the context of a larger system such as the AISP model, the judicial process can respond to the disturbing student in a manner that is constructive for the student as well as for the campus community.
The high‐risk (disturbed and disturbing) college student
Authors: Hollingsworth Kathy R. , Dunkle John H. , Douce Louise
Published: December 2009

The disturbed and disturbing college student causes the most vexing concerns for student affairs administrators. The AISP model offers a useful and easily understood framework for dealing with the various challenges of this high‐risk student population.
Applying the AISP model to the college student‐athlete
Authors: Rhatigan James J.
Published: December 2009

Would the AISP model work for the college student‐athlete? A brief case study suggests possibilities and raises issues.
Student‐athletes and the AISP model: Further applications and consultations
Authors: Shor David A.
Published: December 2009

The many complexities of working with disturbed/disturbing students multiply with involvement from distinct systems within the university. This chapter addresses essential features of collaboration with a department of athletics when applying the AISP model to student‐athletes.
NF κB Activation in Embryonic Endothelial Progenitor Cells Enhances Neovascularization via PSGL-1 Mediated Recruitment: Novel Role for LL37
Authors: Pfosser Achim , El-Aouni Chiraz , Pfisterer Iris , Dietz Melanie , Globisch Franziska , Stachel Georg , Trenkwalder Teresa , Pinkenburg Olaf , Horstkotte Jan , Hinkel Rabea , Sperandio Markus , Hatzopoulos Antonis K. , Boekstegers Peter , Bals Robert , Kupatt Christian
Published: December 2009

Embryonal endothelial progenitor cells (eEPCs) are capable of inducing therapeutic angiogenesis in a chronic hind limb model. However, the proportion of eEPCs recruited to the ischemic tissue appears to be a limiting step for the induction of cell-based therapeutic neovascularization. In the present study, we primed eEPCs with the human cathelicidin LL37 (hCAP-18) ex vivo to selectively enhance the eEPC-dependent gain of perfusion in vivo and elucidated the mechanism of action of LL37 on eEPCs. Seven days after femoral artery excision, 5 × 106 eEPCs (wt, wild type; p65t, transiently p65 transient; p65s, stable p65-transfected; LL37-eEPCs, LL37 peptide preincubated) were retroinfused into the anterior tibial vein. Recruitment of diI-labeled eEPCs in the ischemic gastrocnemic muscle was investigated 2 days later, whereas collateral growth and perfusion score (obtained by fluorescent microspheres) were assessed at day 7 and day 35 and are given as percentage of day 7 level. Capillary/muscle fiber ratio in the ischemic lower limb was obtained at day 35. Embryonic EPC recruitment in vitro and in vivo was found elevated after LL37 and p65t pretreatment, but not in p65s-eEPCs displaying increased IκBα or after LL37 in IκB-DN overexpressing eEPCs. Using LL37- and p65t-eEPCs, collateral growth (181 ± 10% and 165 ± 8%, respectively) surpassed that of wt-eEPCs (135 ± 7%), increasing perfusion ratio (208 ± 20% and 210 ± 17% vs. 142 ± 12% in wt-eEPCs, respectively), whereas p65s-eEPCs exerted no additive effect (collateral growth 130 ± 8%; perfusion ratio 155 ± 15%). Moreover, p65t-eEPC-induced neovascularization was abrogated by blocking antibodies against E-selectin and P-selectin glycoprotein ligand-1 (PSGL-1). We conclude that NF κB activation by LL37 or transient p65-transfection increases functionally relevant eEPC recruitment to ischemic muscle tissue via induction of PSGL-1 and E-selectin.
International amphibian micronucleus standardized procedure (ISO 21427‐1) for in vivo evaluation of double‐walled carbon nanotubes toxicity and genotoxicity in water
Authors: Mouchet Florence , Landois Perine , Datsyuk Vitaliy , Puech Pascal , Pinelli Eric , Flahaut Emmanuel , Gauthier Laury
Published: December 2009

Considering the important production of carbon nanotubes (CNTs), it is likely that some of them will contaminate the environment during each step of their life cycle. Nevertheless, there is little known about their potential ecotoxicity. Consequently, the impact of CNTs on the environment must be taken into consideration. This work evaluates the potential impact of well characterized double‐walled carbon nanotubes (DWNTs) in the amphibian larvae Xenopus laevis under normalized laboratory conditions according to the International Standard micronucleus assay ISO 21427‐1:2006 for 12 days of half‐static exposure to 0.1–1–10 and 50 mg L−1 of DWNTs in water. Two different endpoints were carried out: (i) toxicity (mortality and growth of larvae) and (ii) genotoxicity (induction of micronucleated erythrocytes). Moreover, intestine of larvae were analyzed using Raman spectroscopy. The DWNTs synthetized by catalytic chemical vapor deposition (CCVD) were used as produce (experiment I) and the addition of Gum Arabic (GA) was investigated to improve the stability of the aqueous suspensions (experiment II). The results show growth inhibition in larvae exposed to 10 and 50 mg L−1 of DWNTs with or without GA. No genotoxicity was evidenced in erythrocytes of larvae exposed to DWNTs, except to 1 mg L−1 of DWNTs with GA suggesting its potential effect in association with DWNTs at the first nonacutely toxic concentration. The Raman analysis confirmed the presence of DWNTs into the lumen of intestine but not in intestinal tissues and cells, nor in the circulating blood of exposed larvae. © 2009 Wiley Periodicals, Inc. Environ Toxicol, 2010.