bluuebunny/crossref_metadata_2025 huggingface dataset:
Innovation Alignment and Project Network Dynamics: An Integrative Model for Change
Authors: Taylor John E. , Levitt Raymond
Published: August 2007

Innovation research has predominantly focused on hierarchically organized firms competing within single markets. Recently, however, researchers have debated over whether the increasing use of project networks within and across industries promotes or stifles innovation. This paper discusses a model based on cross-national diffusion data from three technological innovations in three-dimensional computer-aided design (3D CAD) and related implementation data from 82 firms. From the data we induce a set of constructs that form the basis of a two-stage model for understanding innovation in project networks. In the first stage of the model the alignment of an innovation to the existing allocation of work in a project network is ascertained. In the second stage, the implementation success and diffusion outcomes for innovations misaligned with the allocation of work are governed by the relational stability, accrual of interests, boundary permeability, and existence of an agent for project network change. In developing this integrative, two-stage model we resolve the contradiction in the academic literature regarding the degree to which project network dynamics can promote or stifle innovation.
Jobs Requiring a Capacity for Engineering Systems Thinking (CEST): Selection Using an Interest Inventory
Authors: Frank Moti , Zwikael Ofer , Boasson Michael
Published: August 2007

Systems thinking is recognized as a critical ability for engineers who take a leading role in complex projects. Identifying those engineers with better systems-thinking capabilities is critical in many projects and organizations and enables organizations and project managers to select and place the most suitable engineers for jobs requiring a Capacity for Engineering Systems Thinking (CEST). However, up until now, no tool aimed at assessing individuals’ capacity for engineering systems thinking has ever been developed. This paper presents principles for developing an interest questionnaire aimed at selecting engineers for jobs requiring systems thinking as well as preliminary results regarding the tool's reliability and validity.
Planning Knowledge for Phased Rollout Projects
Authors: Bower Douglas C. , Walker Derek H. T.
Published: August 2007

This paper explores how projects that can be considered as repeatable and replicable in a sequence of deliverables over a period of time can be planned and executed (rolled out) in a way that maximizes knowledge transfer and production from one execution to the next. A variety of management disciplines were reviewed to understand the way that project and program rollouts are treated in IT, product development, organizational learning, and manufacturing literature. These reviews enabled the development of a conceptual model to describe how planning and implementing the rollout of a product or service can be more knowledge-focused and an accompanying capability maturity model. Several examples from real life, including one experienced by one of the authors, were used to illustrate and test the conceptual model. The model integrates knowledge management, change control, and planning in a way that can develop organizational learning and the authors assert that this can improve productivity and both tangible and intangible returns to those that follow the model. An accompanying capability maturity model is also presented. The conceptual model, while initially tested against several real-life cases, needs to be tested against a new set of projects as an action learning research project in order to more fully develop knowledge of the dynamics of learning and improvement in rollout projects. The implication is that when project managers undervalue important learning aspects of phased rollouts, they may miss important organizational learning opportunities.
Cultural Barriers to the Use of Western Project Management in Chinese Enterprises: Some Empirical Evidence from Yunnan Province
Authors: Wang Xiaojin , Liu Lanfeng
Published: August 2007

The Western project management (PM) approach requires the use of not only PM technology but also PM values/beliefs. This research is concerned with the likely cultural barriers for Chinese enterprises to use the PM approach. The literature review reveals the four cultural barriers of the Doctrine of the Mean, Strong Hierarchy, Family Consciousness, and Boss Orientation. Then, through a questionnaire survey at Yunnan province, this research provides some empirical evidence about the actual status of the four cultural barriers. In general, the Chinese traditional values/beliefs of Strong Hierarchy, Family Consciousness, and Boss Orientation are empirically major cultural barriers, and the Doctrine of the Mean is not. In addition, this research empirically reveals the differences in the cultural barriers among different types of enterprises and that appropriate PM training is very important to overcome the cultural barriers. Limitations of this research are also discussed.
Understanding the Value of Project Management: First Steps on an International Investigation in Search of Value
Authors: Thomas Janice , Mullaly Mark
Published: August 2007

Organizations investing in project management need to be assured of a concrete return. Without the ability to clearly define its value, project management joins the long line of initiatives (i.e., TQM, information systems, training, human resources) struggling to prove their worth to organizations. However, demonstrating a concrete value in organizations has been illusive and even paradoxical. This paper describes the conceptual model underlying a major international research project designed to yield a broad perspective on the value of project management. This model and research design will be of interest to researchers, project managers, professional organizations, and senior executives.
Mechanistic understanding of the photochromism of a hybrid dithienylethene–naphthopyran system by NMR spectroscopy
Authors: Delbaere S. , Micheau J‐C. , Frigoli M. , Mehl G. H. , Vermeersch G.
Published: August 2007

Detailed 1H NMR kinetic investigations of the photochemical and thermal behaviour of a recently described poly‐photochromic molecule including both dithienylethene and naphthopyran groups are reported. The combination of two photochromic moieties allows the selective controlled extension of the conjugated pi‐electron system and the modulation of the absorption behaviour between ∼380 to ∼750 nm. It is shown that the two photochromic entities are coupled and do not behave independently. Copyright © 2007 John Wiley & Sons, Ltd.
New photochromic bisthienylethene derivatives containing carbazole
Authors: Feng Yanli , Shen Wei , Huang Wei , Tan Wenjuan , Lu Changgui , Cui Yiping , Tian He
Published: August 2007

Some new photochromic bisthienylethene (BTE) derivatives containing carbazole were synthesized by Suzuki coupling method. All compounds were characterized by 1H NMR spectra, 13C NMR, mass spectra, etc. Their optical, photochromic, and electrochemical properties were described. Moreover, their two‐photon absorption (TPA) properties were investigated both in open and closed forms, finding observable distinction in the TPA of the ring‐open and ring‐closed forms. These compounds could be used as two‐photon switches and for the potential applications in three‐dimensional optical storage. Copyright © 2007 John Wiley & Sons, Ltd.
Joint theoretical and experimental study of the gas‐phase elimination kinetics of tert‐butyl ester of carbamic, N, N‐dimethylcarbamic, N‐hydroxycarbamic acids and 1‐(tert‐butoxycarbonyl)‐imidazole
Authors: Mora Jose R , Tosta María , Domínguez Rosa M. , Herize Armando , Barroso Jenny , Córdova Tania , Chuchani Gabriel
Published: August 2007

The gas‐phase elimination kinetics of the title compounds were carried out in a static reaction system and seasoned with allyl bromide. The working temperature and pressure ranges were 200–280 °C and 22–201.5 Torr, respectively. The reactions are homogeneous, unimolecular, and follow a first‐order rate law. These substrates produce isobutene and corresponding carbamic acid in the rate‐determining step. The unstable carbamic acid intermediate rapidly decarboxylates through a four‐membered cyclic transition state (TS) to give the corresponding organic nitrogen compound. The temperature dependence of the rate coefficients is expressed by the following Arrhenius equations: for tert‐butyl carbamate logk1 (s−1) = (13.02 ± 0.46) – (161.6 ± 4.7) kJ/mol(2.303 RT)−1, for tert‐butyl N‐hydroxycarbamate logk1 (s−1) = (12.52 ± 0.11) – (147.8 ± 1.1) kJ/mol(2.303 RT)−1, and for 1‐(tert‐butoxycarbonyl)‐imidazole logk1 (s−1) = (11.63 ± 0.21)–(134.9 ± 2.0) kJ/mol(2.303 RT)−1. Theoretical studies of these elimination were performed at Møller–Plesset MP2/6‐31G and DFT B3LYP/6‐31G(d), B3LYP/6‐31G(d,p) levels of theory. The calculated bond orders, NBO charges, and synchronicity (Sy) indicate that these reactions are concerted, slightly asynchronous, and proceed through a six‐membered cyclic TS type. Results for estimated kinetic and thermodynamic parameters are discussed in terms of the proposed reaction mechanism and TS structure. Copyright © 2007 John Wiley & Sons, Ltd.
Gas phase interaction of L‐proline with Be2+, Mg2+ and Ca2+ ions: a computational study
Authors: Fleming G. J. , McGill P. R. , Idriss H.
Published: August 2007

Geometry optimisation and metal ion affinities (MIAs) of the binding configurations of Be2+, Mg2+ and Ca2+ to L‐proline were calculated using the hybrid Density Functional Theory (DFT‐B3LYP) and second order Møllet−Plesset perturbation theory (MP2) methods. Be2+ was found to bind preferentially in a charge transfer type arrangement through the carbonyl oxygen (CO) and the lone pair of the imino‐group nitrogen atom (NH). On the contrary Mg2+ and Ca2+ were found to prefer binding in a bi‐dentate manner through the carboxylate group of L‐proline (OCO) in a zwitterion form. The main types of interactions found to influence the binding preference of M2+ ions to L‐proline were (i) charge transfer in the case of Be2+ ions and (ii) electrostatic interactions in the case of Mg2+ and Ca2+ ions. Inspection of the IR stretching of the NH and the OH groups of L‐proline with M2+ ions in a chelating configuration (to both O and N atoms) indicated a considerable shift to higher frequency with decreasing MIA. On the other hand, the MIA for the zwitterion L‐proline with M2+ tracks the reciprocal distance of the M2+OCO bond further confirming that the nature of the bond is mainly electrostatic. Comparison with other molecules containing the carboxylic function is also included in order to gain more insight on the types of interaction of this amino acid with metal ions in general. Copyright © 2007 John Wiley & Sons, Ltd.
Mechanism of 4‐methyl‐1,2,4‐triazol‐3‐thiole reaction with formaldehyde. A DFT study
Authors: Wujec Monika , Paneth Piotr
Published: August 2007

Contrary to the typical nucleophilic substitution, occurring on the sulfur atom of 4‐methyl‐1,2,4‐ triazol‐3‐thiole, the reaction with formaldehyde leads to the formation of the NC bond rather than the SC bond. The mechanism of this reaction has been characterized theoretically. Calculations indicate that the reaction proceeds via a cyclic transition state involving one solvent molecule with the Gibbs free activation energy of only 2 kcal/mol. The alternative pathway that leads to the SC bond formation is about 5 kcal/mol more energetically demanding. Copyright © 2007 John Wiley & Sons, Ltd.
Relationship between basicity and nucleophilicity
Authors: Jaramillo Paula , Pérez Patricia , Fuentealba Patricio
Published: August 2007

The empirical concepts of basicity and nucleophilicity are related but not strictly proportional. Hence, the aim of this study is to help in elucidating the range where both concepts are directly proportional. To do this, the relationship between a recently introduced nucleophilicity index and the proton affinity (PA) of several families of bases has been studied. A good correlation between the PA and the nucleophilicity index using HF and HCN as electrophilic partner has been found. Our studies show that the correlation exists only when the interaction is soft–soft in character and for strong bases with weak acids. However, the relationship is not only valid for exothermic reactions as it has been previously postulated but also for endothermic reactions. Copyright © 2007 John Wiley & Sons, Ltd.
Morphology investigation on high‐pressure crystallized bisphenol‐A polycarbonate/dioctyl phthalate blends
Authors: Lu Jun , Huang Rui , Oh Il‐Kwon
Published: August 2007

The high‐pressure crystallized bisphenol‐A polycarbonate/dioctyl phthalate (BAPC/DOP) blend samples were investigated using wide‐angle X‐ray diffraction (WAXD), differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). The specimens were prepared in a piston‐cylinder high‐pressure apparatus by varying the temperature, the pressure and the crystallization time for a BAPC/DOP (90/10, wt/wt) blend. The other four specimens were also prepared with different weight ratios of BAPC/DOP. The DSC results showed that the amorphous BAPC could be crystallized in 45 min by the blending with DOP and the subsequent high‐pressure treatment. A wide variety of morphologies of BAPC crystals were disclosed by SEM, including spherulites, spatial dendrites, crystalbars, platelets and regular polygonal crystals of different characteristics. The folded‐chain lamellar crystals were found to be the substructures of these observed BAPC microstructures. The SEM revealed a granular substructure of the lamellae in a low‐crystallinity sample as well, which indicated that the crystallization of BAPC in the multiphase system might possibly agree with the model developed by Strobl. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2715–2728, 2007
Changes in electrical resistance of carbon‐black‐filled silicone rubber composite during compression
Authors: Ding Tianhuai , Wang Luheng , Wang Peng
Published: August 2007

We studied the changes in the electrical resistance of carbon black filled silicone rubber composite, which is the sensitive element of the flexible force sensor, as a function of time during compression. The experimental results show that there is a sudden increase of the electrical resistance along with the sudden increase of the stress immediately after the compression. When the sample strain is kept constant, the electrical resistance and the stress both decay with time. The data of the stress relaxation and the resistance relaxation both can be fitted by the linear combination of two exponential functions. Based on the shell structure theory, the experimental phenomena are explained from the view that the uniaxial pressure induces the changes in the effective conductive paths. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2700–2706, 2007
Dielectric and thermal characterization of low density ethylene/10‐undecen‐1‐ol copolymers prepared with nickel catalysts
Authors: Viciosa M. Teresa , Rodrigues Carla , Fernández Susete , Matos Inês , Marques Maria M. , Duarte M. Teresa , Mano João F. , Dionísio Madalena
Published: August 2007

Ethylene and 10‐undecen‐1‐ol copolymers, prepared using a nickel complex as catalyst, were studied using differential scanning calorimetry (DSC), X‐ray diffraction, and dielectric relaxation spectroscopy. The behavior exhibited by copolymers containing incorporated 10‐undecen‐1‐ol amounts within 0.5 and 4.6 mol % was compared with neat polyethylene. DSC revealed that a new crystalline region with lower thickness lamellae emerges in copolymers due to the side‐chains crystallization. Nevertheless, the global crystallization degree decreases due to the loss of crystallinity that occurs in a greater extent in PE‐like regions. Dielectric relaxation spectroscopy detected two processes, a low activation energy process below −20 °C related with localized mobility increasing in intensity and deviating to higher temperatures with the increase in 10‐undecen‐1‐ol amount, and a high activation energy process ascribed to the glass transition, located at higher temperatures for the different copolymers relatively to neat polyethylene. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2802–2812, 2007
Crystal forms and ferroelectric properties of poly(vinylidene fluoride)/polyamide 11 blends prepared by high‐shear processing
Authors: Li Yongjin , Shimizu Hiroshi , Furumichi Toshiaki , Takahashi Yoshiyuki , Furukawa Takeo
Published: August 2007

Nanostructured poly(vinylidene fluoride) (PVDF)/polyamide 11 (PA11) blends have been melt‐processed using a high‐shear extruder. Uniaxially oriented blended films were fabricated by hot rolling to prepare ferroelectic films. The effects of rolling temperature and draw ratio on the crystal forms of both PVDF and PA 11 were investigated by means of Fourier transform infrared spectra (FTIR) and wide‐angle X‐ray diffraction (WAXD). It was shown that hot rolling in the range of 25–110 °C results in the crystal form transformation from the nonpolar α‐form into the polar β‐form for PVDF. The content and orientation function of β‐crystallites are strongly dependent upon the rolling temperature and the draw ratio. The highest content of well‐oriented β‐crystallites was achieved with a draw ratio of 4.0 upon rolling at 80 °C. At the same time, the content of the α‐form of PA11 in the blend was also found to decrease by hot rolling. The ferroelectric properties (D‐E hysteresis) of the oriented blended films were measured. The remanent polarization of the PVDF/PA11 = 90/10 blend is as high as 91 mC/m2, which is about 1.2 times higher than that of pure PVDF. The D‐E hysteresis curves and the temperature dependence of the piezoelectric stress coefficients of the high‐shear‐processed sample suggested that the formation of nano‐dispersed structures resulted in the improvement of the remanent polarization and thermal characteristics at a temperature higher than 80 °C. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2707–2714, 2007
Waterborne trifunctionalsilane‐terminated polyurethane nanocomposite with silane‐modified clay
Authors: Subramani Sankaraiah , Lee Jun‐Young , Choi Sung‐Wook , Kim Jung Hyun
Published: August 2007

Trifunctional organosilane‐modified clay was synthesized and used to prepare waterborne trifunctionalsilane‐terminated polyurethane (WSPU)/clay nanocomposite dispersions in this study. Qualitative evidence of the presence of chemically attached silane molecules on clay were confirmed by Fourier transform infrared spectroscopy. The grafted amount and the grafting yield were determined by thermogravimetric analysis and the obtained results were in good agreement with the cation exchange capacity of pristine clay. X‐ray diffraction and transmission electron microscopy examinations indicated that the clay platelets are mostly intercalated or partially exfoliated in the SPU matrix with a d‐spacing of ∼2.50 nm. Clay does not influence the location and peak broadness of the glass transition temperature of soft segment as well as hard segment domains in the WSPU/clay films. WSPU/clay dispersion with higher clay content exhibits a marginal increase in the average particle size, but silane modified clay has a pronounced effect compared with Cloisite 20A‐based nanocomposites. In addition, the incorporation of organophilic clay can also enhance the thermal resistance and tensile properties of WSPUs dramatically through the reinforcing effect. The improvement in water and xylene resistance of the silane modified clay nanocomposites proved that trifunctional organosilane can be used as effective modifiers for clays. Storage stability results confirmed that the prepared nanocomposite dispersions were stable. This method provides an efficient way to incorporate silane modified clay in SPU matrix. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2747–2761, 2007
A simple approach to determine the equilibrium shape and position of sandwiched polymer droplets
Authors: Hyun Dong Choon , Jeong Unyong , Ryu Du Yeol
Published: August 2007

The thermodynamic shape and position of a polymer drop sandwiched between two polymer melt plates were predicted by simulating the change of the interfacial energy according to various shapes and position of the drop. The calculation results were in a precise coincidence with the experimental results exhibiting lens, spreading, and encapsulation. The simple formula and easy concept of the calculation can be useful to predict the morphology of immiscible ternary blends with the information of the interfacial tensions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2729–2738, 2007
Structure and gas permeability of asymmetric polyimide membranes made by dry–wet phase inversion: Influence of alcohol as casting solution
Authors: Mikawa Masato , Seki Naoko , Nagaoka Shoji , Kawakami Hiroyoshi
Published: August 2007

In this article, we have reported the influence of alcohol as a casting solution on the structure and the gas permeability of asymmetric polyimide membranes made by dry–wet phase inversion. The apparent skin layer thickness of the asymmetric membrane decreased with an increase in molecular weight of the alcohol, and the thicknesses of the membranes made from methanol, ethanol, propanol, and butanol were 250, 120, 61, and 31 nm, respectively. We found that χ12 as an interaction parameter of solvent–nonsolvent had a significant influence on the phase inversion occurring in the coagulant medium. On the other hand, the gas permeance and the gas selectivity in the asymmetric membranes increased with the increasing molecular weight of the alcohol. We believe that a more packed structure formed in the asymmetric polyimide membrane with a thinner surface skin layer is also responsible for the thickness‐dependence of the gas selectivity obtained in this study. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2739–2746, 2007
Chemotherapy‐induced alopecia and effects on quality of life among women with breast cancer: a literature review
Authors: Lemieux Julie , Maunsell Elizabeth , Provencher Louise
Published: August 2007

Background: Alopecia is a common side effect of chemotherapies used in the treatment of breast cancer. The aim of this review is to describe the effects of alopecia on quality of life (QOL) in this population.

Methods: We conducted a literature review using Medline, Embase, Cumulative Index to Nursing and Allied Health Literature and PsycInfo databases. We searched for studies on the effects of alopecia on various aspects of QOL in breast cancer patients including anxiety and distress, body image, sexuality, self‐esteem, social functioning, global QOL and return to work outcomes.

Results: A total of 38 articles were included in the review. Hair loss consistently ranked amongst the most troublesome side effects, was described as distressing, and may affect the body image.

Conclusions: We found very little quantitative data on other aspects of QOL. More research is needed to determine the presence and extent of negative effects on chemotherapy‐induced alopecia on various aspects of QOL. Copyright © 2007 John Wiley & Sons, Ltd.
Comparison of atopic and nonatopic children with chronic cough: Bronchoalveolar lavage cell profile
Authors: Ferreira Flavia de A , Filho Luiz Vicente F Silva , Rodrigues Joaquim Carlos , Bush Andrew , Haslam Patricia L
Published: August 2007

Chronic cough is a common complaint in children and its relationship with asthma is controversial. The aim of the present study was to determine the pattern of airway inflammation in atopic and nonatopic children with chronic cough, and to investigate whether atopy is a predictive factor for eosinophilic inflammation in cough. Bronchoalveolar lavage (BAL; three aliquots of 1 ml/kg saline) was performed in the right middle lobe of 24 (11 atopic and 13 nonatopic) children with persistent cough (8 females, 16 males), mean age 4.7 years (range: 1–11). Atopy was defined as an elevated total serum IgE or a positive RAST test. Both atopic and nonatopic children with persistent cough had an increase in total cells/ml in BAL (atopic: median 39 × 104, range: 20–123; nonatopic: median 22 × 104, range: 17–132) compared to nonatopic controls (median 11 × 104, range 9–30). The increases were mainly in neutrophils (atopic: median 17%, range 2.5–88.5%; nonatopic: median 6%, range 1.0–55.0%) compared to controls (median 1.55%, range 0.5–7.0%; atopics vs. controls, P < 0.005). There were no significant increases in eosinophils, lymphocytes, epithelial cells, or mast cells. Eosinophils were elevated in only 5/11 atopic and none of the nonatopic children. The increased percentage of neutrophils in the BAL fluid of atopic and nonatopic children with persistent cough could be due to an underlying inflammatory process driving the cough, or even conceivably, due to the effect of coughing itself. In this highly selected series, the absence of eosinophilic inflammation in the majority suggests that most would be predicted not to respond to inhaled corticosteroid therapy. This study underscores the need to be cautious about treating coughing children with inhaled corticosteroids, even in the context of a tertiary referral practice. Pediatr Pulmonol. 2007;42:857–863. © 2007 Wiley‐Liss, Inc.
Broncholithiasis in an immune compromised boy with disseminated Mycobacteriumkansasii
Authors: Cuppen I. , de Lange W.C.M. , de Graaf S.S.N. , Mol S.J.J. , Boetes C. , Yntema J.L.
Published: August 2007

A case of broncholithiasis in a child is reported. To our knowledge, it has not been reported in children. Broncholithiasis is a condition in which a peribronchial calcified lymph node erodes into or distorts an adjacent bronchus. Symptoms of broncholithiasis include cough, recurrent episodes of fever, haemoptysis, and purulent sputum. The most common cause of broncholithiasis is Mycobacterium tuberculosis (M. tuberculosis). Here we describe a 14‐year‐old boy known to have disseminated Mycobacterium kansasii (M. kansasii) infection associated with hypoplastic myelodysplastic syndrome (MDS). He was presented with cough and fever. Computed tomography (CT) and bronchoscopy revealed a large calcified mass eroding in the right main bronchus. While surgical therapy was considered, haemoptysis developed and his condition deteriorated. Bone marrow puncture revealed acute myeloid leukemic transformation of the MDS. Curation was no longer possible. Post mortem examination revealed a large bronchiolith, evolving from a calcified lymph node. Pediatr Pulmonol. 2007; 42:980–983. © 2007 Wiley‐Liss, Inc.
Risk factors for the development of bronchiectasis in HIV‐infected children
Authors: Berman David M. , Mafut Damaris , Djokic Boris , Scott Gwendolyn , Mitchell Charles
Published: August 2007

Our objective was to describe the risk factors for the development of bronchiectasis in HIV‐1 infected children. This study was a retrospective, case controlled study based upon medical record review of HIV‐1 infected children receiving primary care at a single large, urban medical center in Miami, Florida. Cases (HIV‐1 infected children who developed bronchiectasis while being cared for between January 1982 and September 2000) were matched 1:3 (birth ± 24 months) with controls (HIV‐1 infected children without bronchiectasis). Variables analyzed including number of episodes of pneumonia (including Pneumocystis jiroveci pneumonitis [PCP], lymphoid interstitial pneumonitis (LIP), and CDC category of immunosuppression) were noted in both cases and controls until the age at which the cases developed bronchiectasis. Of the 749 patients whose charts were reviewed, 43 met the case definition for bronchiectasis and 19 met the eligibility criteria for this study. Fifty‐seven controls were randomly selected from the patients without bronchiectasis. Cases were more likely to have experienced recurrent pneumonia than the controls; 17 (89.5%) versus 5 children (8.8%) respectively (P‐value ≤0.001) as well as a greater mean number of episodes of pneumonia 8.2 (range, 4–13) versus 1.45 (range, 0–9) respectively (CI = (5.58,7.82); P‐value ≤0.001). Cases were more likely to have progressed to CDC immunological category 3 than the controls; 19 (100%) versus 32 (56%) children respectively (P‐value <0.001). LIP occurred more frequently in the cases than in the controls; 14/19 (73.6%) versus 19/57 (33.3%), respectively (P‐value = 0.005). HIV‐1 infected children with a history of recurrent pneumonia, profound immuno‐suppression (CDC immunologic category 3), and LIP appear to have a higher risk of developing bronchiectasis. Pediatr Pulmonol. 2007; 42:871–875. © 2007 Wiley‐Liss, Inc.
Nitric oxide production in PCD: Possible evidence for differential nitric oxide synthase function
Authors: Paraskakis Emmanouil , Zihlif Nadwa , Bush, MB, BS (Hons), MA, MD, FRCP, FRCPCH Andrew
Published: August 2007

Primary cilliary dyskinesia (PCD) is characterized by decreased levels of fractional exhaled nitric oxide (FeNO), thought to reflect low activity of airway inducible nitric oxide synthase (iNOS) levels. Alveolar NO (Calv) concentration and bronchial NO (JNO) flux can be calculated from FeNO measured at multiple exhalation flow rates. We hypothesised that whereas bronchial NO would be reduced in PCD due to reduced iNOS function, alveolar NO would reflect endothelial NOS (eNOS) function and be normal. We recorded the medical history; measured FeNO at multiple flow rates (50, 100, 200, 260 ml/sec); and performed spirometry in 24 children (aged 8–16 years). FeNO50 of the PCD children was significantly lower than normal mean (±SD) 8.1 ± 1.3 ppb versus 12.5 ± 1.6 ppb, P = 0.033. The mean ± SD values of PCD (n = 24) and normal (n = 20) subjects were respectively: JNO: 383.5 ± 307.9 versus 650.1 ± 489 pl/s, P = 0.033, Calv: 1.60 ± 0.78 versus 1.60 ± 0.75 ppb, P = NS. We show that Calv is normal in PCD, demonstrating that there is no generalized disorder of NO handling in this condition. This differs from a previous report. Furthermore, we speculate that these data may provide supportive evidence that variable flow NO measurements can assess the relative activity of iNOS and eNOS. Pediatr Pulmonol. 2007; 42:876–880. © 2007 Wiley‐Liss, Inc.
Polysomnographic characteristics in patients with Prader–Willi syndrome
Authors: Lin Hsiang‐Yu , Lin Shuan‐Pei , Lin Ching‐Chi , Tsai Li‐Ping , Chen Ming‐Ren , Chuang Chih‐Kuang , Huang Chi‐Yu
Published: August 2007

To evaluate the occurrence of sleep‐disordered breathing and to clarify the characteristics of sleep among patients with Prader–Willi syndrome (PWS). Overnight continuous EEG‐polysomnographic studies were performed in 30 patients with PWS (16 males and 14 females; mean age, 7.4 ± 4.1 years; age range, 1–19 years) unselected for sleep disturbance. The baseline arterial oxygen saturation (SpO2) was 96.6 ± 0.6%, with a nadir of 77.2 ± 10.2%. The rapid eye movement (REM) latency was 67.4 ± 30.0 min. The percent of total sleep time spent in sleep stages 1, 2, slow wave, and REM were 13.1 ± 8.2%, 41.9 ± 10.5%, 21.5 ± 9.4%, and 21.1 ± 5.7%, respectively. The respiratory disturbance index (RDI) was 5.8 ± 3.7/hr and desaturation index (DI) was 8.1 ± 7.3/hr, respectively. Age‐adjusted BMI was associated with more severe hypoxemia during sleep (baseline SpO2, r = −0.53, P < 0.01; nadir SaO2, r = −0.65, P < 0.01; RDI, r = 0.37, P < 0.05; DI, r = 0.53, P < 0.01) and more sleep disruption (arousal index, r = 0.46, P < 0.01). There were no significant associations between gender or genotype pattern (deletion vs. uniparental disomy) and the results of polysomnography. Sleep hypoxemia and sleep disruption are more prevalent in patients with PWS than in normal children. Obesity in these patients is associated with more severe sleep‐disordered breathing. Pediatr Pulmonol. 2007; 42: 881–887. © 2007 Wiley‐Liss, Inc.
Lung inflammation and pulmonary function in infants with meconium aspiration syndrome
Authors: Cayabyab Rowena G. , Kwong Kenny , Jones Craig , Minoo Parviz , Durand Manuel
Published: August 2007

Objective

To evaluate the relationship between inflammation and pulmonary function, we quantified changes in inflammatory cellular profile, pro‐inflammatory cytokines, and pulmonary function in intubated neonates with meconium aspiration syndrome (MAS).

Methods

Sixteen term infants were studied. Tracheal aspirate fluids, obtained within the first 6, 24, 48, and 96 hr of life were used for measurements of: (1) cellular profile changes; (2) mRNA and protein levels for pro‐inflammatory cytokines, IL‐1β, IL‐6, IL‐8, and TNF‐α, using RT‐PCR and ELISA. Using the same time points as above, we determined mean airway pressure, oxygenation index (OI), alveolar‐arterial oxygen gradient, and arterial/alveolar oxygen ratio. Baseline tidal volume and pulmonary compliance were obtained.

Results

Birth weight was 3,820 ± 656 g, gestational age 39.8 ± 1.4 weeks. Mean airway pressure and OI significantly decreased from the first 6–96 hr of age (P = 0.01, P = 0.027). Cell counts were elevated in the first 6 hr compared to 96 hr (17.4 × 106/ml vs. 1.5 × 106/ml, P < 0.05). Pro‐inflammatory cytokines decreased from the first 6–96 hr: IL‐1β (187 vs. 37 pg/ml, P < 0.05); IL‐6 (3,469 vs. 150 pg/ml, P < 0.05); IL‐8 (16,230 vs. 6,334 pg/ml, P = 0.01).

Conclusions

MAS is associated with an inflammatory response characterized by the presence of elevated cell count and pro‐inflammatory cytokines which significantly decreased by 96 hr of life. This decrease in lung inflammation has a positive correlation with corresponding decreases in mean airway pressure and oxygenation index, two parameters associated with improved pulmonary function. Pediatr Pulmonol. 2007; 42:898–905. © 2007 Wiley‐Liss, Inc.
Deadspace estimation from CO2 versus molar mass measurements in infants
Authors: Thamrin C , Latzin P , Sauteur L , Riedel T , Hall GL , Frey U
Published: August 2007

Background

Estimation of respiratory deadspace is often based on the CO2 expirogram, however presence of the CO2 sensor increases equipment deadspace, which in turn influences breathing pattern and calculation of lung volume. In addition, it is necessary to correct for the delay between the sensor and flow signals. We propose a new method for estimation of effective deadspace using the molar mass (MM) signal from an ultrasonic flowmeter device, which does not require delay correction. We hypothesize that this estimation is correlated with that calculated from the CO2 signal using the Fowler method.

Methods

Breath‐by‐breath CO2, MM and flow measurements were made in a group of 77 term‐born healthy infants. Fowler deadspace (Vd,Fowler) was calculated after correcting for the flow‐dependent delay in the CO2 signal. Deadspace estimated from the MM signal (Vd,MM) was defined as the volume passing through the flowhead between start of expiration and the 10% rise point in MM.

Results

Correlation (r = 0.456, P < 0.0001) was found between Vd,MM and Vd,Fowler averaged over all measurements, with a mean difference of −1.4% (95% CI −4.1 to 1.3%). Vd,MM ranged from 6.6 to 11.4 ml between subjects, while Vd,Fowler ranged from 5.9 to 12.0 ml. Mean intra‐measurement CV over 5–10 breaths was 7.8 ± 5.6% for Vd,MM and 7.8 ± 3.7% for Vd,Fowler. Mean intra‐subject CV was 6.0 ± 4.5% for Vd,MM and 8.3 ± 5.9% for Vd,Fowler. Correcting for the CO2 signal delay resulted in a 12% difference (P = 0.022) in Vd,Fowler. Vd,MM could be obtained more frequently than Vd,Fowler in infants with CLD, with a high variability.

Conclusions

Use of the MM signal provides a feasible estimate of Fowler deadspace without introducing additional equipment deadspace. The simple calculation without need for delay correction makes individual adjustment for deadspace in FRC measurements possible. This is especially important given the relative large range of deadspace seen in this homogeneous group of infants. Pediatr Pulmonol. 2007; 42:920–927. © 2007 Wiley‐Liss, Inc.
The combination of PCR and serology increases the diagnosis of Pseudomonas aeruginosa colonization/infection in cystic fibrosis
Authors: da Silva Filho Luiz Vicente F. , Tateno Adriana F. , Martins Kátia M. , Azzuz Chernishev Ana Carolina , de Oliveira Garcia Doroti , Haug Maria , Meisner Christoph , Rodrigues Joaquim C. , Döring Gerd
Published: August 2007

Background

Early diagnosis of Pseudomonas aeruginosa colonization/infection in patients with cystic fibrosis (CF) using microbiological culturing methods may be difficult. Serology and polymerase chain reaction (PCR) may be useful techniques for early detection of P. aeruginosa in children with CF.

Methods

A cross‐sectional analysis comparing results obtained by three different methods for P. aeruginosa identification was performed in 87 CF patients with a mean age of 9.7 years. Microbiological culturing and PCR targeting the algD GDP mannose dehydrogenase gene of P. aeruginosa were performed in sputum or oropharyngeal swabs samples, and serum antibodies against three P. aeruginosa antigens (elastase, alkaline protease, and exotoxin A) were assessed once.

Results

It was possible to isolate P. aeruginosa by culture in samples from 42 patients (48.2%), while PCR was positive in 53 (60.9%) patients. Serology was positive in 38 patients (43.6%), with a higher positivity for elastase (37.9%), followed by alkaline protease (29.9%) and exotoxin A (19.5%). The difference among the three isolated methods was not statistically significant. The combination of PCR + serology was significantly superior to single methods, to PCR + culture and also to culture + serology.

Conclusions

PCR identified a higher number of patients with P. aeruginosa than serology and conventional culture, but the difference did not reach statistical significance. Any of the combination methods that included PCR resulted in significantly statistical differences in relation to isolated microbiological or serology methods, but not to the PCR method alone, suggesting that PCR may be the main additive method for P. aeruginosa identification. Pediatr Pulmonol. 2007; 42:938–944. © 2007 Wiley‐Liss, Inc.
Methacholine and adenosine 5′‐monophosphate challenges in preschool children with cough‐variant and classic asthma
Authors: Bakirtas Arzu , Turktas Ipek
Published: August 2007

Bronchial challenge with different stimuli provides different information and may be used as an adjunct to understand the pathophysiology of cough variant asthma (CVA) in young children in whom the mechanism of disease is still unresolved. This study was designed to investigate the hypothesis that airway hyperresponsiveness (AHR) to methacholine and adenosine 5′‐monophosphate (AMP) is similar in preschool children with CVA and classic asthma. We examined airway response to methacholine and AMP in well‐defined 3–6‐year‐old children with CVA (n = 18), classic persistent asthma (n = 31), and healthy controls (n = 10) by transcutaneous oxygen monitorization. The number of AMP responsive children was significantly lower in the group with CVA (38.9%) than classic persistent asthma (67.7%) (P = 0.049). Mean provocative concentration of AMP causing a 15% fall in transcutaneous oxygen tension (PC15PtcO2 AMP) in children with CVA and classic persistent asthma were 234.58 and 36.35 mg/ml, respectively (P = 0.001). None of the healthy children in the control group responded to AMP. The severity of methacholine responsiveness was found similar in CVA and classic persistent asthma groups (P = 0.738). Although both asthma groups showed a similar pattern in methacholine responsiveness, preschool children with CVA were found to differ from children with classic persistent asthma with regard to response profiles to AMP challenge which may point to different pathophysiologic mechanisms of CVA in the young age group. Pediatr Pulmonol. 2007; 42:973–979. © 2007 Wiley‐Liss, Inc.
Erratum: Pulmonary fungal infection diagnosis in chronic granulomatous disease patients
Authors: Sierre Sergio , Lipsich Jose , Santos Patricia , Hernandez Claudia , Siminovich Monica , Oleastro Matias , Zelazko Marta , Rosenzweig Sergio D.
Published: August 2007

The original article to which this Erratum refers was published in Journal of Pediatric Pulmonology, 42(9) 2007, 851–852. DOI: 10.1002/ppul.20653.
A revised program for operational discipline
Authors: Klein James A. , Vaughen Bruce K.
Published: August 2007

The purpose of this paper is to review the development and implementation of a next generation approach to improving operational discipline (OD) programs at DuPont, in order to help sustain high levels of process safety management performance. DuPont defines OD as a deeply rooted dedication and commitment by each member of the organization to carry out each task, the right way, each time. Eleven organizational characteristics have been used to help evaluate and drive continuous improvement of OD, which have now been simplified to four primary characteristics. Ultimately, though, it is individuals who do the day‐to‐day work required by PSM systems, and it is these actions that help determine if the organization is able to operate with high levels of OD. With this in mind, DuPont's program has been revised to include a new emphasis on individual characteristics of OD, based on knowledge, commitment, and awareness. Discussion will include why OD is important, how OD can be characterized for both organizations and individuals, and how the revised program has been implemented. © 2007 American Institute of Chemical Engineers Process Saf Prog, 2007
Miniaturized TEG with thermal generation of free carriers
Authors: Span Gerhard , Wagner Martin , Grasser Tibor , Holmgren Lennart
Published: August 2007

The rising interest in low temperature heat energy conversion encourages the application of thermoelectric devices. However, conventional thermoelectric devices used in the Seebeck mode as thermoelectric generators have several shortcomings and thus are inefficient when used as a generator. Additionally, the high cost–power ratio of these modules anticipates the commercial success on a broad basis. One way to achieve better suited products is provided by miniaturization of thermoelectric devices in order to enable the use of mass production methods. But in small devices the contact effects become dominant and reduce the efficiency and power density considerably. We show that using pn‐junctions with thermal generation of free carriers offers the possibility to achieve better contact properties and thus higher efficiencies and power densities.

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(© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Density functional computations of alkynylation of ethanimine catalyzed by chiral zinc(II)‐complexes
Authors: Meng Qingxi , Wang Fen , Li Ming
Published: August 2007

The alkynylation of ethanimine catalyzed by chiral zinc(II)‐complexes was studied by means of the density functional theory (DFT). All the intermediates and transition states were optimized completely at the B3LYP/6‐31G(d,p) level. Calculation results confirm that the alkynylation of ethanimine is exothermic and the total released energy is about −13 kJ/mol. The formation of the catalyst–alkynyl complexes M4 is the rate‐determining step for this alkynylation, and the formation of the catalyst–amine complexes M5 is the chirality‐limiting step for this alkynylation. The transition states for the chirality‐limiting step have a HOZnCCN six‐membered ring. The dominant products predicted theoretically for this alkynylation are, respectively, S‐amine for ethanimine anti and R‐amine for ethanimine syn. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
A quantum chemistry study on boron nitrides (BNN)2n and (BNN)2n2+ (n = 3–8)
Authors: Xu Yu , Li Qian Shu
Published: August 2007

(BNN)2n (n = 3–8) with eclipsed Dnh conformations (Series I), except (BNN)8 with Oh conformation, (BNN)2n2+ (n = 3–8) with staggered Dnd conformations (Series II), and the analogous BCO‐based compounds have been studied in the present paper using density functional theory. All the species are located as genuine minima and show high stability with respect to the dissociation into BNN (BCO) or N2 (CO). It is found that the strong aromaticity is one of the important factors in the stability of Series II and the angular strain dominantly affects the stability of Series I with relatively weak aromaticity. The same is also observed for the corresponding BCO analogies. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Conformational analysis of cycloheptane, oxacycloheptane, 1,2‐dioxacycloheptane, 1,3‐dioxacycloheptane, and 1,4‐dioxacycloheptane
Authors: Freeman Fillmore , Hwang Jung H. , Hae Junge Eun , Dinesh Parmar Prem , Renz Zhongwei , Trinh James
Published: August 2007

The conformational analysis of cycloheptane (1), oxacycloheptane (2), 1,2‐dioxacycloheptane (3), 1,3‐dioxacycloheptane (4), and 1,4‐dioxacycloheptane (5) has been carried out using B3LYP, CCD, CCSD, and QCISD with the 6‐311+G(d,p) and cc‐pVDZ basis sets. The twist chair conformers are predicted to be lower in energy than their corresponding boat and chair conformations. All levels of theory predict (4) to be lower in energy than (3) and (5). CCSD predicts remarkably similar activation barriers for the conformational interconversion of the twist chair conformers to their corresponding boat conformers. Small barriers to pseudorotation are also predicted. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
First principle MD study on the structural and electronic properties of liquid and amorphous NI81B19 and NI80P20 alloy
Authors: Zhu Jiang‐Bo , Dai Guo‐Liang , Qiao Ming‐Hua , Fan Kang‐Nian
Published: August 2007

Atomic and electronic structures of liquid and amorphous Ni81B19 and Ni80P20 alloys were simulated by ab initio molecular dynamics. Pair correlation function, bond pair analysis, electronic population analysis, and density of states were calculated. It was found that amorphous Ni81B19 and Ni80P20 alloys can be prepared by rapid quenching, and their structures are similar to those of liquid alloys. Bond pair analysis indicated that the environment of each atom in Ni81B19 system is dominated by icosahedral and distorted icosahedral inherent structures; however, in Ni80P20 system, the tetrahedral order is preponderant. Strong interactions occur between the d‐electrons of Ni and the p‐electrons of B (or P), which leads to the covalent interactions between Ni and B (or P) atoms. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Ab initio reaction path for cisplatin interaction with L‐cysteine and L‐methionine
Authors: Da Silva Valdilei José , Costa Luiz Antônio S. , Dos Santos Hélio F.
Published: August 2007

Ab initio calculations are used to track the reaction pathway of interaction between cisplatin and the sulfur‐containing amino acids cysteine (Cys) and methionine (Met). Structures of all reactive species as well as thermodynamic and kinetic properties were calculated and discussed based on the role played by the level of theory. Twenty‐three different levels of theory were examined including HF, DFT, and perturbation theory at MP2 and MP4(SDQ) orders. The rate constant for a second‐order associative ligand exchange mechanism (k2) was calculated by means of transition state theory. This quantity is quite sensitive to small fluctuation of activation free energy, therefore is a good benchmark to assess the performance of different methods of calculations. The k2 values predicted by DFT methods were in best agreement with experiment, found equal to (102k2 in M−1 s−1) 3.42 for Met (PBE1PBE) and 1.90 for Cys (B3P86). The experimental values are 3.6 and 2.2 for Met and Cys, respectively. The solvent effect plays a primary role to the kinetic properties, accounting for ∼30% of the activation Gibbs free energy. The outcomes from the present study promptly show the adequacy of distinct theoretical approaches to describe the reactivity of cisplatin, thus might be useful for further studies involving other Pt(II) complexes. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008