bluuebunny/crossref_metadata_2025 huggingface dataset:
Administração Estratégica em Organizações Orientadas para Projetos
Authors: Anselmo Jefferson Leandro , Maximiano Antonio Cesar Amaru
Published: March 2012

Nas organizações, a administração de projetos é um corpo de conhecimentos usados em três dimensões: operacional, organizacional e estratégica. Na dimensão estratégica, a organização trata da decisão de quais projetos executar e que recursos usar para executá-los. Neste artigo, são apresentados os resultados de um estudo que procurou responder à seguinte questão: Como os processos de administração de projetos, em sua dimensão estratégica, são estruturados e conduzidos nas organizações orientadas para projetos? Foram feitos estudos de casos, comparados a um referencial bibliográfico, para responder a essa questão. Os resultados mostram notável similaridade entre os casos e permitem a evolução sobre o conhecimento prático sobre o tema.DOI:10.5585/gep.v2i2.47
A Integração do Gerenciamento de Projetos com a Proposta de Stage-Gate: O Relato do Caso Projeto Sintonia
Authors: Sabino Michelle de Stefano , Montenegro Duarte Cássio Chagas
Published: March 2012

Este trabalho tem o objetivo de descrever e analisar a integração observada no projeto Sintonia® no que tange ao confronto dos processos de gerenciamento de projetos ao modelo do Stage-Gate®. A literatura trata destes assuntos conceitualmente, porém falta um alinhamento entre eles que seja evidenciado na prática. Como método foi utilizado o estudo de caso único. O relato tem como caso o projeto Sintonia, desenvolvido pela PRODESP - Companhia de Processamento de Dados do Estado de São Paulo. Os resultados mostram a integração dos processos de gerenciamento de projetos com o modelo Stage-Gate desenvolvido durante o ciclo de vida do projeto. A formalização dos processos do projeto foi definida em estágios, na qual permitiu a exploração de economias de repetição e recombinação para o desenvolvimento de novos projetos. Este estudo contribui com a visão técnica no que refere a integração de processos de gerenciamento de projetos. Concluiu-se que este sistema representa um caminho atrativo, em termos de criação de valor econômico e inovação tecnológica para a organização.DOI:10.5585/gep.v2i2.53
Field day
Authors: Foster Colleen D.
Published: March 2012

Each month, elementary school teachers are presented with a problem and suggested instructional notes to use in their classroom. They are asked to report solutions, strategies, reflections, and misconceptions to the journal audience. Embedded in the April problem scenario is the big idea of place value. Students explore the scenario of organizing pinnies (scrimmage vests) into bundles of ten, making it easier to distribute them to eight teams participating in a field day.
Myrtle Beach boardwalk
Authors: Polly Drew
Published: March 2012

This department showcases students' in-depth thinking and work on problems previously published in TCM. Five teachers report on their students' responses to the April 2011 problem scenario, which has students use familiar fact families to help determine inequalities.
Discovering Mexico through math
Authors: Kurz Terri L. , Garcia Jorge
Published: March 2012

Keeping in mind how rich and diverse Mexican culture is, this month's regular department collection of four short activities each for grade bands K-2, 3–4, and 5–6 connects the geography, history, and culture of Mexico to discovering and exploring mathematics. These activities can be integrated with support from other historical, cultural, and geographical learning contexts.
Annaliese relates mathematics to language
Authors: Vega Stephanie
Published: March 2012

Students say some amazing things. Back Talk highlights the learning of one or two students and their approach to solving a math problem or prompt. This article is a conversation between a student and teacher on the use of context to understand the relationship between the numbers and text that compose a word problem.
Organic Bionics: A New Dimension in Neural Communications
Authors: Moulton Simon Edward , Higgins Michael John , Kapsa Robert Michail Ivan , Wallace Gordon George
Published: March 2012

The term “bionics” is synonymous with the term “biomimetics” and in this context refers to the integration of human engineered devices to take advantage of functional mechanisms and structures resident in nature. The use of electrical conductors to transmit charge into and out of biological systems to affect biological processes has been the source of great scientific interest. This has inspired many to explore the possible use of electrical stimulation in promoting positive health outcomes. Advances in medical bionics technology are dependent upon eliciting precise control of the electrical energy to deliver beneficial health outcomes. The advent of carbon‐based organic conductors now provides the platform for unprecedented possibilities by which the electrical energy can be used to modulate the function of medical devices. The use of organic conductors in the field of bionics, and in particular medical bionics, as that involved with the development of devices that enable the effective integration of biology (nature) and electronics to achieve a targeted functional outcome is explored.
Mechanical Resuscitation of Chemical Oscillations in Belousov–Zhabotinsky Gels
Authors: Chen Irene Chou , Kuksenok Olga , Yashin Victor V. , Balazs Anna C. , Van Vliet Krystyn J.
Published: March 2012

The conversion of mechanical to chemical energy is a natural phenomenon that few synthetic materials have been able to mimic robustly. The first demonstration of mechanical triggering of Belousov–Zhabotinsky (BZ) oscillations is presented in N‐isopropylacrylamide‐co‐Ru(bpy)3 gels for which the oscillatory nature of the BZ reaction can be visualized via periodic changes in color. It is demonstrated that BZ oscillations can be induced by the application of compressive stress to gels in which the BZ reaction has attained a steady‐state upon depletion of reagents. Such macroscopic compression physically increases the volume fraction of polymer to which the Ru(bpy)3 catalyst is grafted and triggers BZ oscillations by utilizing unreacted reagents in the aqueous solution, thus effectively resuscitating and extending the functionality of these oscillatory gels. The applied stress and the initial concentrations of malonic acid are varied to show that there is a critical stress required to trigger and restore these oscillations, and that the period and amplitude of oscillation are tunable. Leveraging this capacity to restore the functionality of the material via applied pressure, sensor applications comprising discrete BZ gels, which are capable of both visually indicating the origin of mechanical loading and transmitting this signal away from the deformation site, are demonstrated. Mechanical resuscitation of such chemical oscillations affords novel approaches to creating pressure sensors based on self‐oscillating gels.
Food deserts and nutritional risk in paraguay
Authors: Gartin Meredith
Published: March 2012

Objectives:

The purpose of this case study in San Lorenzo, Paraguay is to identify a food desert in a developing context and to test if food deserts shape residential obesity risk. This article reviews some of the debate surrounding whether food deserts really exist; and, if so, what are the dietary implications of living in a food desert.

Methods:

The research is an exploratory/explanatory design. The author mapped the downtown food retail district and the neighborhood food environment to identify what stores/markets. The author assessed each type of food store using an adapted version of the Nutrition Environment Measure Survey for Stores (NEMS‐S) for Paraguay. Body mass index and household characteristics were collected with 68 households in a small neighborhood; and, the author matched the NEMS‐S scores to the store reported by households as their primary grocery store for regression tests.

Results:

The results suggest that a tradeoff exists in the local food environment between food stores which negatively impact obesity risk for local residents. Exposure to this tradeoff appears to worsen as people live longer in the food desert. Thus, the results support the location of a food desert finding in Paraguay.

Conclusions:

The underlying factors of a food desert extend beyond food access to focus on the issues of justice. A way to improve upon future research to build scholarship on the relationship between deprivation and obesity requires that sample sizes are either large or representative of the population and that the research should be based on multiple neighborhood and city sites. Am. J. Hum. Biol. 2012. © 2012 Wiley Periodicals, Inc.
Technical note: Criterion validity of whole body surface area equations: A comparison using 3D laser scanning
Authors: Daniell Nathan , Olds Timothy , Tomkinson Grant
Published: March 2012

Measurements of whole body surface area (WBSA) have important applications in numerous fields including biological anthropology, clinical medicine, biomechanics, and sports science. Currently, WBSA is most often estimated using predictive equations due to the complex and time consuming methods required for direct measurement. The main aim of this study was to identify whether there were significant and meaningful differences between WBSA measurements taken using a whole body three‐dimensional (3D) scanner (criterion measure) and the estimates derived from each WBSA equation identified from a systematic review. The study also aimed to determine whether differences varied according to body mass index (BMI), sex, or athletic status. Fifteen WBSA equations were compared with direct measurements taken on 1,714 young adult subjects, aged 18–30 years, using the Vitus Smart 3D whole body scanner, including 1,452 subjects (753 males, 699 females) from the general Australian population and 262 rowers (148 males, 114 females). Mixed‐design analysis of variances determined significant differences and accuracy was quantified using Bland‐Altman analysis and effect sizes. Thirteen of the 15 equations overestimated WBSA. With a few exceptions, equations were accurate with a low‐systematic error (bias ≤2%) and low‐random error (standard deviation of the differences 1.5–3.0%). However, BMI did have a substantial impact with the accuracy of some WBSA equations varying between the four BMI categories. The Shuter and Aslani: Eur J Appl Physiol 82 (2000) 250‐254 equation was identified as the most accurate equation and should be used for Western populations 18–30 years of age. Care must be taken when deciding which equation to use when estimating WBSA. Am J Phys Anthropol, 2012. © 2012 Wiley Periodicals, Inc.
Effectiveness of high frequency heating on drying and intrinsic viscosity enhancement of recycled poly(ethylene terephthalate)
Authors: Ogasahara Minoru , Shidou Manabu , Nagata Shigeru , Yamada Kazushi , Leong Yew Wei , Hamada Hiroyuki
Published: March 2012

The effectiveness of a high radio frequency (HF) heating technique as a tool for drying and for enhancement of intrinsic viscosity (IV) in recycled poly(ethylene terephthalate) (R‐PET) pellets is described. R‐PET that was sourced mainly from postconsumer drinking bottles would generally attain lower molecular weight due to hydrolytic degradation when exposed to repeated thermal processing cycles and also the presence of impurities. Hence, the IV of R‐PET would be significantly lower as compared to virgin PET (V‐PET), which could affect its processability and significantly limit its application. In this study, R‐PET pellets were exposed to HF and their IV and moisture content were monitored with time. HF was found to be a less time consuming method to enhance the IV of R‐PET although it was not reliable to be used for drying purposes. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Optimal upgrade strategy, warranty policy and sale price for second‐hand products
Authors: Shafiee Mahmood , Chukova Stefanka
Published: March 2012

To attract more consumers and increase the number of sales, dealers need to determine optimal marketing strategies (such as warranty policy and sale price) and engineering decisions (such as upgrade and maintenance strategies) for their second‐hand products. Applying an upgrade action to a second‐hand item adds up to the sale price, but it improves the product reliability and can reduce the warranty servicing cost. In this paper, a three‐parameter optimization model is developed to determine the optimal upgrade strategy, warranty policy and sale price of a second‐hand product to maximize the dealer's expected profit. We provide a numerical study to illustrate our results. Also, a sensitivity analysis is conducted to evaluate the effect of model parameters on the optimal solution. Copyright © 2012 John Wiley & Sons, Ltd.
Pricing of mountain range derivatives under a principal component stochastic volatility model
Authors: Escobar Marcos , Olivares Pablo
Published: March 2012

In this paper, a multidimensional stochastic volatility process is introduced. This process is simpler than existing ones in terms of number of parameters while keeping practical stylized facts like stochastic correlation and volatility. The pricing of two mountain range derivatives, Altavista and Everest, is analyzed under this framework, showing sensitivities to parameters, number of eigenvalues, and maturity time. Copyright © 2012 John Wiley & Sons, Ltd.
A case study to demonstrate a Pareto Frontier for selecting a best response surface design while simultaneously optimizing multiple criteria
Authors: Lu Lu , Anderson‐Cook Christine M. , Robinson Timothy J.
Published: March 2012

Experimenting with limited resources often means that we are trying to get more out of a single experiment and balance competing goals. Selecting a best response surface design when simultaneously optimizing multiple criteria requires carefully choosing measures and scales of different design criteria and then balancing the trade‐offs between the criteria. This paper illustrates a decision‐making process using a Pareto frontier to identify good design candidates and a Utopia point approach for selection of an optimal design based on several competing criteria. The Pareto approach shows substantial improvement over the classic desirability function method by offering the user greater flexibility in quantifying the robustness of designs to weight specifications and the sensitivity of the solutions to different choices of weights, scales, and metrics. Graphical methods are used for summarizing and extracting useful information for improved decision‐making. Copyright © 2012 John Wiley & Sons, Ltd.
Optimal random replacement models with continuously processing jobs
Authors: Chen Mingchih
Published: March 2012

In some practical situations, it would be impossible to conduct a replacement action for an operating system during the middle of a job and might be wise to wait until the completion of its operation. First, this paper considers age replacement policies for a system, which continuously works for multiple jobs with random working times. Next, the system can undergo minimal repairs upon failures and is replaced at the first completion of the working time over a planned time T. Finally, when a job incurs some damage to the system, the replacement model over time T is applied. The expected cost rates for these modified models are derived, and the optimal maintenance policies, which minimize the expected cost rates are obtained analytically. Copyright © 2012 John Wiley & Sons, Ltd.
Alternatives in assigning short‐term counts to seasonal adjustment factor groupings
Authors: Tsapakis Ioannis , Schneider William H. , Nichols Andrew P. , Haworth James
Published: March 2012

The precise estimation of the annual average daily traffic (AADT) is a task of significant interest for many transportation authorities and Departments of Transportation. In this study, three methods are developed to improve the assignment of short‐term counts to seasonal adjustment factor (SAF) groupings: the traditional functional classification, a discriminant analysis (DA), and a new statistical approach based on a weighted coefficient of variation (WCV). The data analyzed within this study are generated from all available continuous counters within the State of Ohio between 2002 and 2006. The analysis is conducted using SAFs that are separately calculated for the total volume and the directional specific volumes of a site. The results show that the directionally based assignment errors are statistically lower at a 95% confidence interval when compared with those generated by the total volume analysis. It is also found that the hourly time‐of‐day factors are more important in the assignment process than the average daily traffic. The directionally based WCV produces a decline in the average mean absolute percentage error (MAPE) over the roadway functional classification by 58% and in the standard deviation of the absolute error (SDAE) by 70%. On the contrary, the directionally based DA lowers the MAPE and the SDAE by 35% and 60%, respectively. Copyright © 2012 John Wiley & Sons, Ltd.
Confidence in Personal Preferences
Authors: Koriat Asher
Published: March 2012

The first aim of this study was to test the self‐consistency model (SCM) of subjective confidence as it applies to personal preferences. According to SCM, participants presented with a two‐alternative forced‐choice (2AFC) item draw a small sample of representations of the item. Their confidence reflects the extent to which the choice is representative of the population of representations associated with the item, and the likelihood of making that choice on subsequent occasions. The second aim was to use confidence judgment as a clue to the dynamics of online preference construction. Participants were presented with 2AFC items measuring everyday personal preferences. The task was presented five times. In line with SCM, (i) when participants changed their preferences across presentations, they were systematically more confident when they made their more frequent choice; (ii) confidence in a choice in the item's first presentation predicted the likelihood of repeating that choice in subsequent presentations; (iii) despite the idiosyncratic nature of personal preferences, confidence was higher for consensual than for nonconsensual preferences; (iv) when participants predicted the preferences of others, they were also more confident when their predictions agreed with those of others; and (v) the confidence/accuracy correlation for predictions was positive for consensually correct but negative for consensually wrong predictions. These results suggest that confidence in preferences can help separate between the stable and variable contributions to preference construction in terms of the population of representations available in memory and the representations that are accessible at the time of preference solicitation, respectively. Copyright © 2012 John Wiley & Sons, Ltd.
Using ICD‐9 codes to establish prevalence of malformations in newborn infants
Authors: Holmes Lewis B. , Westgate Marie‐Noel
Published: March 2012

BACKGROUND The International Classification of Disease (ICD‐9) codes are used to identify, after discharge, diagnoses from a review of the medical record and provide the basis for reimbursement. These codes have been used to establish the prevalence of malformations and to assess potential teratogens. We have analyzed the accuracy of codes 740 to 759.9 to identify newborn infants with malformations. METHODSThe diagnoses and ICD‐9 codes in the medical records of 1000 consecutive live‐born and stillborn infants were compared to the information provided in the medical records of those infants. RESULTSOne hundred twenty‐seven of the 1000 infants had ICD‐9 codes between 740 and 759.9. 67 (52.8%) of the codes identified minor features, such as birth marks and minor anomalies. Twenty‐three (18.1%) of the codes designated a malformation and were correct. Two types of errors were identified in another 33 infants (26%) whose codes designated a malformation: either the pediatricians' notes described a less severe finding or the fact that there was no such abnormality. In addition, four malformed infants were missed in pregnancies that were either terminated electively or stillborn, as they did not have medical records. CONCLUSIONThe ICD‐9 codes 740 to 759.9 identified accurately some infants (18%) with malformations, but identified incorrectly many others. The accuracy of the coding for identifying malformations would be improved if (1) the findings of the examining pediatricians were considered; (2) normal features of prematurity, such as patent foramen ovale and patent ductus arteriosus, were not considered malformations; (3) minor physical features were not assigned ICD‐9 codes within the 740 to 759.9 sequence. Birth Defects Research (Part A) 2012. © 2012 Wiley Periodicals, Inc.
Klippel‐Feil syndrome in a boy exposed inadvertently to cyclophosphamide during pregnancy: A case report
Authors: Lazalde Brissia , Grijalva‐Flores Jesús , Guerrero‐Romero Fernando
Published: March 2012

BACKGROUND Cyclophosphamide (CPA) is an alkylating agent widely used as an immunosuppressive agent in the treatment of several autoimmune diseases, including systemic lupus erythematosus. Its teratogenic effect has been well studied in different experimental mammalian and non‐mammalian animal models. In humans, 11 cases of CPA teratogenesis have been documented. CASE We present a case of a patient with Klippel‐Feil syndrome inadvertently exposed to CPA and prednisone in utero during the first trimester. CONCLUSIONS This case of possible cyclophosphamide embryopathy provides evidence of teratogenesis as an etiologic agent in developmental field defects such as Klippel‐Feil syndrome. Birth Defects Research (Part A) 2012. © 2012 Wiley Periodicals, Inc.
Association between MTHFR polymorphisms and orofacial clefts risk: A meta‐analysis
Authors: Luo Ya L. , Cheng Yu L. , Ye Ping , Wang Wei , Gao Xiao H. , Chen Qing
Published: March 2012

BACKGROUND The roles of C677T and A1298C polymorphisms in methylenetetrahydrofolate reductase (MTHFR) gene in orofacial clefts (OFCs) risk have been substantially explored, but the results remain conflicting. To address this gap, we conducted a meta‐analysis involving all eligible studies. METHODS: Electronic literature searches of the PubMed, EmBase, and Medline databases were performed up to October 31, 2011. Fixed‐effects or random‐effects models were used to calculate the pooled odds ratios (ORs) for two genetic comparisons (heterozygous mutation vs. wild type, homozygous mutation vs. wild type). RESULTS A total of 18 studies were ultimately identified. The pooled results revealed no statistical association between infant and maternal C677T and A1298C variants and risk of cleft lip with or without palate (CL/P) or cleft palate only (CPO), except for the maternal 677TT genotype for CL/P, the OR was 1.32 (95% confidence interval [CI], 1.06–1.63) as compared to the normal 677CC genotype. In the subgroup analyses on CL/P data based on ethnicity and source of control subjects, almost all of the results were replicated as nonsignificant associations in both examined polymorphisms, whereas the pooled risk estimate calculated for maternal 677TT genotype in the white population remained statistically significant, with an OR of 1.36 (95% CI, 1.05–1.76). CONCLUSIONS This meta‐analysis suggests that maternal MTHFR 677TT genotype might increase the risk of having a CL/P offspring in the white population. However, these findings remain to be confirmed by additional investigations. Birth Defects Research (Part A) 2012. © 2012 Wiley Periodicals, Inc.
Characterization of chromatin domains by 3D fluorescence microscopy: An automated methodology for quantitative analysis and nuclei screening
Authors: Cantaloube Sylvain , Romeo Kelly , Le Baccon Patricia , Almouzni Geneviève , Quivy Jean‐Pierre
Published: March 2012

Fluorescence microscopy has provided a route to qualitatively analyze features of nuclear structures and chromatin domains with increasing resolution. However, it is becoming increasingly important to develop tools for quantitative analysis. Here, we present an automated method to quantitatively determine the enrichment of several endogenous factors, immunostained in pericentric heterochromatin domains in mouse cells. We show that this method permits an unbiased characterization of changes in the enrichment of several factors with statistical significance from a large number of nuclei. Furthermore, the nuclei can be sorted according to the enrichment value of these factors. This method should prove useful to monitor events related to changes in the amount, rather than the presence or absence, of any factor. By adapting a few parameters, it could be extended to other nuclear structures and the benefit of using available software will permit its use in many biological labs.
Tissue distribution and metabolism of the putative cancer chemopreventive agent 3′,4′,5′‐trimethoxyflavonol (TMFol) in mice
Authors: Saad Shaban E. A. , Jones Donald J. L. , Norris Leonie M. , Horner‐Glister Emma , Patel Ketan R. , Britton Robert G. , Steward William P. , Gescher Andreas J. , Brown Karen , Sale Stewart
Published: March 2012

3′,4′,5′‐Trimethoxyflavonol (TMFol) is a synthetic flavonol with preclinical cancer chemopreventive properties. The hypothesis was tested that, in mice, p.o. administration of TMFol results in measureable levels of the parent in target tissues. A single oral dose (240 mg/kg) was administered to mice (n = 4 per time point) with time points ranging from 5 to 1440 min. TMFol and its metabolites were identified and quantitated in all tissues by high‐performance liquid chromatography (HPLC). Plasma levels of TMFol were at the limit of quantification or below, although metabolites were identified. Peak levels of TMFol in the gastrointestinal tract and the prostate averaged 1671 ± 265 µg/g (5.3 µmol/g) and 6.0 ± 1.6 µg/g (18.4 nmol/g), and occurred 20 and 360 min post‐dose, respectively. The area under the tissue concentration–time curve (AUC) for TMFol was greater than those of the metabolites, indicating that TMFol is relatively metabolically stable. Micromolar TMFol levels are easily achieved in the prostate and gastrointestinal tract, suggesting that TMFol might exert chemopreventive efficacy at these tissue sites. Further investigations are warranted to elucidate the potential chemopreventive potency of TMFol. Copyright © 2012 John Wiley & Sons, Ltd.
Institutional Pressures and an Evolving Forest Carbon Market
Authors: Thompson Derek W. , Hansen Eric N.
Published: March 2012

It is estimated that 87 million acres of forestland in the United States (US) is managed by private industrial forestland owners (nearly 14% of the forestland nationwide). Private industrial forestland owners include forest product companies, Timber Investment Management Organizations (TIMOs) and Real Estate Investment Trusts (REITs). Current regulatory and voluntary carbon markets, as well as proposed national emission reduction legislation, in the US make provisions for substantial carbon offsets from domestic forestry projects. This research employs the theory of planned behavior by means of an online questionnaire in order to survey large industrial forestland owners (>30 000 acres) regarding intentions to manage forestland for carbon sequestration and trading. Quantitative results suggest that very few organizations (18%) were managing forestland for carbon values. Attitudes towards carbon sequestration and trading were significantly influenced by the managers' beliefs that emission reduction legislation would become law and that US forest carbon offsets can be used as a legitimate climate change mitigation tool. Qualitative results revealed that most organizations are taking a passive approach to carbon sequestration and trading until a suitable regulatory framework emerges and carbon prices provide the conditions for a sound investment. The researchers suggest that, given the size and scope of the climate change phenomenon as well as the multifaceted and unified mitigation strategy required to address it, the development of functional carbon markets will be an iterative process and may require a global carbon framework that reflects the globalized nature of the forest economy. Copyright © 2012 John Wiley & Sons, Ltd and ERP Environment
Environmental Governance of Enterprises and their Economic Upshot through Corporate Reputation and Customer Satisfaction
Authors: Tang Ailie K.Y. , Lai Kee‐hung , Cheng T. C. E.
Published: March 2012

Drawing on resource‐advantage and signalling theories, we investigate two mechanisms, namely corporate reputation and customer satisfaction, by which the environmental governance of enterprises can benefit their economic performance. Based on secondary data from the 500 largest US enterprises compiled from multiple sources, our findings contribute to the literature by establishing the link between corporate reputation and green reputation. We also establish the economic performance paths of environmental governance via corporate reputation and customer satisfaction. This study expounds on why ‘green’ matters and identifies the performance roles of two corporate strategic resources extractable from the environmental governance of enterprises. Copyright © 2012 John Wiley & Sons, Ltd and ERP Environment
How Social Dominance Orientation Affects Union Participation: The Role of Union Identification and Perceived Union Instrumentality
Authors: Green Eva G. T. , Auer Fanja
Published: March 2012

Bridging social dominance theory and labour studies, this field study investigated the mechanisms underpinning the relationship between rejection of group‐based domination and participation in union activities. Respondents (N = 135) were members of a public sector union in California, that is, a hierarchy‐attenuating institution. Results revealed that union identification mediated the negative relationship between social dominance orientation and active union participation. Moreover, the mediational effect of union identification was moderated by perceived union instrumentality (i.e. outcome‐ and process‐based benefits afforded by the union), indicating that the relationship between union identification and participation was stronger among those union members who consider that the union affects workplace justice. The findings reveal the importance of both identity‐based and instrumental motivations underlying union participation. The novelty of applying social dominance theory to union behaviour is underscored. Copyright © 2012 John Wiley & Sons, Ltd.
Application of genetic algorithm‐support vector regression (GA‐SVR) for quantitative analysis of herbal medicines
Authors: Xin Ni , Gu Xiaofeng , Wu Hao , Hu Yuzhu , Yang Zhonglin
Published: March 2012

In this paper, a genetic algorithm‐support vector regression (GA‐SVR) coupled approach was proposed for investigating the relationship between fingerprints and properties of herbal medicines. GA was used to select variables so as to improve the predictive ability of the models. Two other widely used approaches, Random Forests (RF) and partial least squares regression (PLSR) combined with GA (namely GA‐RF and GA‐PLSR, respectively), were also employed and compared with the GA‐SVR method. The models were evaluated in terms of the correlation coefficient between the measured and predicted values (Rp), root mean square error of prediction, and root mean square error of leave‐one‐out cross‐validation. The performance has been tested on a simulated system, a chromatographic data set, and a near‐infrared spectroscopic data set. The obtained results indicate that the GA‐SVR model provides a more accurate answer, with higher Rp and lower root mean square error. The proposed method is suitable for the quantitative analysis and quality control of herbal medicines. Copyright © 2012 John Wiley & Sons, Ltd.
Phase‐ and Size‐Controllable Synthesis of Hexagonal Upconversion Rare‐Earth Fluoride Nanocrystals through an Oleic Acid/Ionic Liquid Two‐Phase System
Authors: He Meng , Huang Peng , Zhang Chunlei , Ma Jiebing , He Rong , Cui Daxiang
Published: March 2012

Herein, we introduce a facile, user‐ and environmentally friendly (n‐octanol‐induced) oleic acid (OA)/ionic liquid (IL) two‐phase system for the phase‐ and size‐controllable synthesis of water‐soluble hexagonal rare earth (RE=La, Gd, and Y) fluoride nanocrystals with uniform morphologies (mainly spheres and elongated particles) and small sizes (<50 nm). The unique role of the IL 1‐butyl‐3‐methylimidazolium hexafluorophosphate (BmimPF6) and n‐octanol in modulating the phase structure and particle size are discussed in detail. More importantly, the mechanism of the (n‐octanol‐induced) OA/IL two‐phase system, the formation of the RE fluoride nanocrystals, and the distinctive size‐ and morphology‐controlling capacity of the system are presented. BmimPF6 is versatile in term of crystal‐phase manipulation, size and shape maintenance, and providing water solubility in a one‐step reaction. The luminescent properties of Er3+‐, Ho3+‐, and Tm3+‐doped LaF3, NaGdF4, and NaYF4 nanocrystals were also studied. It is worth noting that the as‐prepared products can be directly dispersed in water due to the hydrophilic property of Bmim+ (cationic part of the IL) as a capping agent. This advantageous feature has made the IL‐capped products favorable in facile surface modifications, such as the classic Stober method. Finally, the cytotoxicity evaluation of NaYF4:Yb,Er nanocrystals before and after silica coating was conducted for further biological applications.
Controlled Construction of Metal–Organic Frameworks: Hydrothermal Synthesis, X‐ray Structure, and Heterogeneous Catalytic Study
Authors: Sen Rupam , Saha Debraj , Koner Subratanath
Published: March 2012

The role of pH in the formation of metal–organic frameworks (MOFs) has been studied for a series of magnesium‐based carboxylate framework systems. Our investigations have revealed the formation of five different zero‐dimensional (0D) to three‐dimensional (3D) ordered frameworks from the same reaction mixture, merely by varying the pH of the medium. The compounds were synthesized by the hydrothermal method and characterized by single‐crystal X‐ray diffraction. Increase of the pH of the medium led to abstraction of the imine hydrogen from the ligand and a concomitant increase in the OH− ion concentration in the solution, facilitating the construction of higher dimensional framework compounds. A stepwise increase in pH resulted in a stepwise increase in the dimensionality of the network, ultimately leading to the formation of a 3D porous solid. A gas adsorption study of the 3D framework compound confirmed its microporosity with a BET surface area of approximately 450 m2 g−1. Notably, the 3D framework compound catalyzes aldol condensation reactions of various aromatic aldehydes with acetone under heterogeneous conditions.
Molecular Tethering or Aggregation: Is the Existence of Charge‐Transfer Bands Indicative of the Formation of Blue‐Box/Tetrathiafulvalene Inclusion Complexes?
Authors: Tejerina Baudilio , Gothard Chris M. , Grzybowski Bartosz A.
Published: March 2012

The interaction between tetrathiafulvalene and tetracation cyclobis(paraquat‐p‐phenylene) fragments—the key elements of many rotaxane systems—was investigated theoretically by using ab‐initio second‐order perturbation methods. In addition to the inclusion complex observed in the solid state, a thermodynamically stable “exterior” complex was identified. Calculation of the UV/Vis spectra for the inclusion and the exterior complexes indicated that the charge‐transfer band that is often used to predict the formation of the inclusion complexes in solution is, in reality, due to the exterior mode of complexation. These results suggest that UV/Vis spectroscopy is not a reliable method for assigning the complexation modes in TTF:BB4+rotaxanes and related systems.
A Critical Assessment of the Specific Role of Microwave Irradiation in the Synthesis of ZnO Micro‐ and Nanostructured Materials
Authors: Baghbanzadeh Mostafa , Škapin Srečo D. , Orel Zorica Crnjak , Kappe C. Oliver
Published: March 2012

A rapid, microwave‐assisted hydrothermal method has been developed to access ultrafine ZnO hexagonal microrods of about 3–4 μm in length and 200–300 nm in width by using a 1:5 zinc nitrate/urea precursor system. The size and morphology of these ZnO materials can be influenced by subtle changes in precursor concentration, solvent system, and reaction temperature. Optimized conditions involve the use of a 1:3 water/ethylene glycol solvent system and 10 min microwave heating at 150 °C in a dedicated single‐mode microwave reactor with internal temperature control. Carefully executed control experiments ensuring identical heating and cooling profiles, stirring rates, and reactor geometries have demonstrated that for these preparations of ZnO microrods no differences between conventional and microwave dielectric heating are observed. The resulting ZnO microrods exhibited the same crystal phase, primary crystallite size, shape, and size distribution regardless of the heating mode. Similar results were obtained for the ultrafast preparation of ZnO nanoparticles with diameters of approximately 20 nm, synthesized by means of a nonaqueous sol–gel process at 200 °C from a Zn(acac)2 (acac=acetylacetonate) precursor in benzyl alcohol. The specific role of microwave irradiation in enhancing these nanomaterial syntheses can thus be attributed to a purely thermal effect as a result of higher reaction temperatures, more rapid heating, and a better control of process parameters.
Dual Catalysis with an IrIII–AuI Heterodimetallic Complex: Reduction of Nitroarenes by Transfer Hydrogenation using Primary Alcohols
Authors: Sabater Sara , Mata Jose A. , Peris Eduardo
Published: March 2012

A triazolyl‐di‐ylidene ligand has been used for the preparation of a homodimetallic complex of gold, and a heterodimetallic compound of gold and iridium. Both complexes have been fully characterized and their molecular structures have been determined by means of X‐ray diffraction. The catalytic properties of these two complexes have been evaluated in the reduction of nitroarenes by transfer hydrogenation using primary alcohols. The two complexes afford different reaction products; whereas the AuI–AuI catalyst yields a hydroxylamine, the IrIII–AuI complex facilitates the formation of an imine.
The Stejskal–Tanner equation generalized for any gradient shape—an overview of most pulse sequences measuring free diffusion
Authors: Sinnaeve Davy
Published: March 2012

The widely known Stejskal–Tanner (ST) equation is central to any diffusion NMR or so‐called pulsed gradient spin‐echo experiment, describing the signal attenuation due to loss of coherence caused by diffusion as a function of the experimental parameters. What is less widely known is that the equation itself is not invariable when applying different pulse sequences or different gradient pulse shapes and should thus be modified accordingly. This concept is not new, but nevertheless experimentalists applying diffusion NMR in their research often overlook or are completely oblivious to this fact. In this article, the derivation of the ST equation through the Bloch–Torrey equations is discussed in detail, followed by a discussion of the most basic NMR experiments that measure free diffusion. This derivation is performed here in a novel way, leading to expressions for the ST equation that do not assume any gradient shape beforehand, leaving only a few parameters that are determined solely by the gradient pulse shape. This new approach to presenting the ST equation increases awareness of its dependence on gradient shape. Moreover, it relieves designers of future diffusion NMR pulse sequences of struggling with the cumbersome task of deriving and reporting the equation for each gradient shape separately. A quick reference table of the ST equation for the basic diffusion NMR pulse sequences for any gradient shape is given, as well as an overview for most other diffusion NMR pulse sequences described in the literature. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 39–65, 2012.
Recent Advances in Asymmetric Isocyanide‐Based Multicomponent Reactions
Authors: van Berkel Sander S. , Bögels Berry G. M. , Wijdeven Marloes A. , Westermann Bernhard , Rutjes Floris P. J. T.
Published: March 2012

Isocyanide‐based multicomponent reactions (IMCRs) can be considered one of the breakthrough reaction classes of the last century. Moreover, asymmetric IMCRs have recently developed into powerful reactions for the versatile synthesis of highly complex molecules. The progress made in the development of stereoselective Passerini and Ugi reactions has led to the advancement of catalytic asymmetric IMCRs. This review gives an overview of recent advances in the field of asymmetric IMCRs with a focus on stereoselective α‐additions of isocyanides. In addition, the use of convertible isocyanides in stereoselective cascade IMCRs is covered and future opportunities and potential applications of (asymmetric) IMCRs are briefly discussed.
Investigation of antibacterial phytochemicals in the bark and leaves of Ficus coronata by high‐performance liquid chromatography‐electrospray ionization–ion trap mass spectrometry (HPLC‐ESI‐MSn) and ESI‐MSn
Authors: Smyth Thomas J. P. , Ramachandran Venkataraman , Brooks Peter , Smyth W. Franklin
Published: March 2012

The ethyl acetate extracts of the bark and leaves of Ficus coronata were separated by column chromatography and the resulting fractions tested for their bioactivity toward methicillin‐resistant‐Staphylococcus aureus (MRSA) and M. luteus. The bioactive column chromatography fractions were further separated by preparative thin layer chromatography (TLC) and the resulting bands investigated by high‐performance liquid chromatography–electrospray ionization–ion trap mass spectrometry (HPLC‐ESI‐MSn) and ESI‐MSn. The resulting retention times, molecular masses, their fragmentation patterns, and the chemnet database (www.chemnetbase.com) were then used in the dereplication process by structural elucidation of some of the compounds when compared with known structures of natural origin. Some molecular masses and the corresponding fragmentations were found that did not correlate with any known compounds thus revealing potentially novel natural products that could be investigated on a larger scale and could ultimately find application as new drugs against MRSA and other multidrug‐resistant microorganisms. Structures are also proposed for known compounds that have not been previously reported for F. coronata.
A hyphenated microLC‐Q‐TOF‐MS platform for exosomal lipidomics investigations: Application to RCC urinary exosomes
Authors: Del Boccio Piero , Raimondo Francesca , Pieragostino Damiana , Morosi Lavinia , Cozzi Gabriele , Sacchetta Paolo , Magni Fulvio , Pitto Marina , Urbani Andrea
Published: March 2012

Urinary exosomes are released from every renal epithelial cell type facing the urinary space and therefore, they may carry molecular markers of renal dysfunction and structural injury. Here, we present a hyphenated microLC‐Q‐TOF‐MS platform for lipidomics studies applied to investigate the urinary exosome lipid repertoire. Lipids were separated by reversed‐phase chromatography using a linear gradient of formic acid 0.2% and tetrahydrofuran, in 40 min of analysis. Features (m/z with associated own retention time) were extracted by MarkerLynxTM (Waters) and processed, demonstrating good analytical performance in terms of repeatability and mass accuracy of the microLC Q‐TOF MS platform. In particular, a stable retention time (RSD less than 4%) and relative intensity (RSD from 2.9% to 11%) were observed. Moreover, the method takes advantages by the use of a lock spray interface (Waters) that allows readjusting the m/z data after acquisition, obtaining inaccuracy below 6 ppm in measuring the m/z value of the reference compound during chromatographic run. The method was employed in a preliminary application to perform comparative analysis from healthy control subjects and renal cell carcinoma (RCC) patients, in order to possibly highlight differences in lipid composition to be exploited as potential tumor biomarker. Differential lipid composition in RCC urinary exosomes was achieved and tentatively identified by accurate mass, providing a preliminary indication of a relationship between lipid composition of urinary exosomes and RCC disease. Among the total features significantly different in RCC exosomes, the ion at m/z 502.3 was taken as an example for molecular confirmation by MS/MS fragmentation analysis.
Capillary electrophoretic methods in the development of metal‐based therapeutics and diagnostics: New methodology and applications
Authors: Bytzek Anna K. , Hartinger Christian G.
Published: March 2012

In recent years, capillary electrophoresis (CE) has matured to a standard method in medicinal inorganic chemistry. More and more steps of the drug discovery process are followed by CE. However, not only the number of applications has steadily increased but also the variety of used methodology has significantly broadened and, as compared to a few years ago, a wider scope of separation modes and hyphenated systems has been used. Herein, a summary of the newly utilized CE methods and their applications in metallodrug research in the timeframe 2006–2011 is presented, following related reviews from 2003 and 2007 (Electrophoresis, 2003, 24, 2023‐2037; Electrophoresis 2007, 28, 3436‐3446). Areas covered include impurity profiling, quality control of pharmaceutical formulations, lipophilicity estimation, interactions between metallodrugs and proteins or nucleotides, and characterization and also quantification of metabolites in biological matrices and real‐world samples.
Performance of different separation methods interfaced in the same MS‐reflection TOF detector: A comparison of performance between CE versus HPLC for biomarker analysis
Authors: Mullen William , Albalat Amaya , Gonzalez Julien , Zerefos Panagiotis , Siwy Justyna , Franke Julia , Mischak Harald
Published: March 2012

One of the aims in the field of proteomics is the identification of a protein or polypeptide, or a range of these compounds, that could provide pre‐symptomatic indication of the onset of a disease. A number of analytical techniques have been employed to try and achieve this end. These techniques have been applied to the complete range of body fluids and tissues that are readily available from clinical studies. Of these sample sources, the urinary low molecular weight peptidome has been shown to reflect changes in the health status of the individual. The alterations that occur in the polypeptide make up of urine, which reflect changes in biological status, are known as biomarkers. To be able to determine these changes no single technique has emerged that can cope with detecting the large number of peptides present and quantifying them over the wide concentration range they exist in. In this investigation, we made use of a single reflectron time of flight (RTOF)‐MS analyser to which we first connected a CE system and then a nanoflow HPLC. Two pooled male and female standard urine samples were compared on these systems. Both techniques had similar results in terms of number of peptides detected and the mass range the peptides were detected over. The major differences in terms of biomarker research were the ability in CE to calibrate the migration time of the peptides to allow comparison between samples. In addition, CE was shown not to suffer from carry over from previous samples as was seen in the LC analysis.