bluuebunny/crossref_metadata_2025 huggingface dataset:
3D scanning based mold correction for planar and cylindrical parts in aluminum die casting
Authors: Seno Takashi , Ohtake Yutaka , Kikuchi Yuji , Saito Noriaki , Suzuki Hiromasa , Nagai Yukie
Published: January 2015

Aluminum die casting is an important manufacturing process for mechanical components. Die casting is known to be more accurate than other types of casting; however, post-machining is usually necessary to achieve the required accuracy. The goal of this investigation is to develop machining- free aluminum die casting. Improvement of the accuracy of planar and cylindrical parts is expected by correcting metal molds. In the proposed method, the shape of cast aluminum made with the initial metal molds is measured by 3D scanning. The 3D scan data includes information about deformations that occur during casting. Therefore, it is possible to estimate the deformation and correction amounts by comparing 3D scan data with product computer-aided design (CAD) data. We corrected planar and cylindrical parts of the CAD data for the mold. In addition, we corrected the planar part of the metal mold using the corrected mold data. The effectiveness of the proposed method is demonstrated by evaluating the accuracy improvement of the cast aluminum made with the corrected mold.
Food categorization flexibility increases the preference for indulgent foods
Authors: Khare Adwait , Chowdhury Tilottama G.
Published: January 2015

Categorization flexibility, the extent of cross‐categorization of objects into multiple categories, has been studied in prior research as an outcome variable. We study categorization flexibility as an independent variable and in the food domain show its influence on preference for hedonic or indulgent food items. Hedonic food items are attractive due to their tastiness but also unattractive due to their caloricity and thus consumers feel inhibited to choose them. We argue that food categorization flexibility exerts a disinhibitive influence which facilitates preference for hedonic food items. We show such a prohedonic effect (using real as well as hypothetical food items) by measuring as well as manipulating categorization flexibility and also that this effect occurs mainly for those with higher (vs. lower) inhibition for hedonic consumption: due to a prevention (vs. promotion) or due to a hyperopic (vs. myopic) psychological state. Our results suggest that while marketers of hedonic foods may improve sales by promoting more food‐situation associations, consumers' health will be better served if consumers develop fewer, beneficial food‐situation associations.
Split ratings and debt‐signaling in bond markets: A note
Authors: Ismail Ashraf , Oh Seunghack , Arsyad Nuruzzaman
Published: January 2015

Split ratings occur when national and international credit rating agencies assign different ratings to the same firm. Employing various proxies for asymmetric information and data from advanced and emerging bond markets, we review the evidence that split ratings are caused by asymmetric information between firms and credit rating agencies. We then apply the debt‐signaling model to the split ratings problem, by testing for a systematic relationship between the debt‐to‐equity ratio and the magnitude of split ratings across countries. We finally test for the existence of an optimal debt‐signal, which implies that higher debt‐to‐equity ratios will reduce the ratings split to an optimal minimum, after which accumulating more debt widens the ratings split. Our results suggest that firms in emerging markets can use the debt‐signal up to a maximal point, after which it becomes inefficient.
Interpreting WTO Agreements
Authors: Qureshi Asif H.
Published: January 2015

The case law of the World Trade Organization is extensive, now running into some three hundred decided cases and thousands of pages. The interpretative process involved in this jurisprudence constitutes a form of legislative activity, and is therefore of great significance not only to the parties to disputes, but to the membership of the WTO. Qureshi identifies some of the underlying problems of interpreting WTO agreements, and examines the conditions for the interpretation of these agreements. Since the first edition of this book, the case law has grown, and the interpretation evolved further. This second edition addresses these developments and engages in the contemporary discourse on the subject. Also included is a new section on issues of interpretation relating to preferential trade agreements and the WTO. This book is an essential tool for WTO trade specialists, as well as government and judicial officers concerned with interpreting these agreements.
British Economic Growth, 1270–1870
Authors: Broadberry Stephen , Campbell Bruce , Klein Alexander , Overton Mark , van Leeuwen Bas
Published: January 2015

This is a definitive new account of Britain's economic evolution from a backwater of Europe in 1270 to the hub of the global economy in 1870. A team of leading economic historians reconstruct Britain's national accounts for the first time right back into the thirteenth century to show what really happened quantitatively during the centuries leading up to the Industrial Revolution. Contrary to traditional views of the earlier period as one of Malthusian stagnation, they reveal how the transition to modern economic growth built on the earlier foundations of a persistent upward trend in GDP per capita which doubled between 1270 and 1700. Featuring comprehensive estimates of population, land use, agricultural production, industrial and service-sector production and GDP per capita, as well as analysis of their implications, this will be an essential reference for anyone interested in British economic history and the origins of modern economic growth more generally.
Productivity Accounting
Authors: Grifell-Tatjé Emili , Lovell C. A. Knox
Published: January 2015

The productivity of a business exerts an important influence on its financial performance. A similar influence exists for industries and economies: those with superior productivity performance thrive at the expense of others. Productivity performance helps explain the growth and demise of businesses and the relative prosperity of nations. Productivity Accounting: The Economics of Business Performance offers an in-depth analysis of variation in business performance, providing the reader with an analytical framework within which to account for this variation and its causes and consequences. The primary focus is the individual business, and the principal consequence of business productivity performance is business financial performance. Alternative measures of financial performance are considered, including profit, profitability, cost, unit cost, and return on assets. Combining analytical rigor with empirical illustrations, the analysis draws on wide-ranging literatures, both historical and current, from business and economics, and explains how businesses create value and distribute it.
From Empires to NGOs in the West African Sahel
Authors: Mann Gregory
Published: January 2015

This book looks beyond the familiar history of former empires and new nation-states to consider newly transnational communities of solidarity and aid, social science and activism. Shortly after independence from France in 1960, the people living along the Sahel - a long, thin stretch of land bordering the Sahara - became the subjects of human rights campaigns and humanitarian interventions. Just when its states were strongest and most ambitious, the postcolonial West African Sahel became fertile terrain for the production of novel forms of governmental rationality realized through NGOs. The roots of this 'nongovernmentality' lay partly in Europe and North America, but it flowered, paradoxically, in the Sahel. This book is unique in that it questions not only how West African states exercised their new sovereignty but also how and why NGOs - ranging from CARE and Amnesty International to black internationalists - began to assume elements of sovereignty during a period in which it was so highly valued.
Signalling Nouns in English
Authors: Flowerdew John , Forest Richard W.
Published: January 2015

Signalling nouns (SNs) are abstract nouns like 'fact', 'idea', 'problem' and 'result', which are non-specific in their meaning when considered in isolation and specific in their meaning by reference to their linguistic context. SNs contribute to cohesion and evaluation in discourse. This work offers the first book-length study of the SN phenomenon to treat the functional and discourse features of the category as primary. Using a balanced corpus of authentic data, the book explores the lexicogrammatical and discourse features of SNs in academic journal articles, textbooks, and lectures across a range of disciplines in the natural and social sciences. The book will be essential reading for researchers and advanced students of semantics, syntax, corpus linguistics and discourse analysis, in addition to scholars and teachers in the field of English for academic purposes.
Models of Decision-Making
Authors: Weirich Paul
Published: January 2015

Classical decision theory evaluates entire worlds, specified so as to include everything a decision-maker cares about. Thus applying decision theory requires performing computations far beyond an ordinary decision-maker's ability. In this book Paul Weirich explains how individuals can simplify and streamline their choices. He shows how different 'parts' of options (intrinsic, temporal, spatiotemporal, causal) are separable, so that we can know what difference one part makes to the value of an option, regardless of what happens in the other parts. He suggests that the primary value of options is found in basic intrinsic attitudes towards outcomes: desires, aversions, or indifferences. And using these two facts he argues that we need only compare small parts of the options we face in order to make a rational decision. This important book will interest readers in decision theory, economics, and the behavioral sciences.
The Clergy in the Medieval World
Authors: Barrow Julia
Published: January 2015

Unlike monks and nuns, clergy have hitherto been sidelined in accounts of the Middle Ages, but they played an important role in medieval society. This first broad-ranging study in English of the secular clergy examines how ordination provided a framework for clerical life cycles and outlines the influence exerted on secular clergy by monastic ideals before tracing typical career paths for clerics. Concentrating on northern France, England and Germany in the period c.800–1200, Julia Barrow explores how entry into the clergy usually occurred in childhood, with parents making decisions for their sons, although other relatives, chiefly clerical uncles, were also influential. By comparing two main types of family structure, Barrow supplies an explanation of why Gregorian reformers faced little serious opposition in demanding an end to clerical marriage in the eleventh and twelfth centuries. Changes in educational provision c.1100 also help to explain growing social and geographical mobility among clerics.
The Royalist Republic
Authors: Helmers Helmer J.
Published: January 2015

In 1649, Charles I was executed before Whitehall Palace in London. This event had a major impact not only in the British Isles, but also on the continent, where British exiles, diplomats and agents waged propaganda battles to conquer the minds of foreign audiences. In the Dutch Republic above all their efforts had a significant impact on public opinion, and succeeded in triggering violent debate. This is the first book-length study devoted to the continental backlash of the English Civil Wars. Interdisciplinary in scope and drawing on a wide range of sources, from pamphlets to paintings, Helmer Helmers shows how the royalist cause managed to triumph in one of the most unlikely places in early modern Europe. In doing so, Helmers transforms our understanding of both British and Dutch political culture, and provides new contexts for major literary works by Milton, Marvell, Huygens, and many others.
The Rise of Writing
Authors: Brandt Deborah
Published: January 2015

Millions of Americans routinely spend half their working day or more with their hands on keyboards and their minds on audiences - writing so much, in fact, that they have less time and appetite for reading. In this highly anticipated sequel to her award-winning Literacy in American Lives, Deborah Brandt moves beyond laments about the decline of reading to focus on the rise of writing. What happens when writing overtakes reading as the basis of people's daily literate experience? How does a societal shift toward writing affect the ways that people develop their literacy and understand its value? Drawing on recent interviews with people who write every day, Brandt explores this major turn in the development of mass literacy and examines the serious challenges it poses for America's educational mission and civic health.
Needs Assessment for Incoming PGY-1 Residents in Neurosurgical Residency
Authors: Brandman David M. , Haji Faizal A. , Matte Marie C. , Clarke David B.
Published: January 2015

Background: Residents must develop a diverse range of skills in order to practice neurosurgery safely and effectively. The purpose of this study was to identify the foundational skills required for neurosurgical trainees as they transition from medical school to residency. Methods: Based on the CanMEDS competency framework, a web-based survey was distributed to all Canadian academic neurosurgical centers, targeting incoming and current PGY-1 neurosurgical residents as well as program directors. Using Likert scale and free-text responses, respondents rated the importance of various cognitive (e.g. management of raised intracranial pressure), technical (e.g. performing a lumbar puncture) and behavioral skills (e.g. obtaining informed consent) required for a PGY-1 neurosurgical resident. Results: Of 52 individuals contacted, 38 responses were received. Of these, 10 were from program directors (71%), 11 from current PGY-1 residents (58%) and 17 from incoming PGY-1 residents (89%). Respondents emphasized operative skills such as proper sterile technique and patient positioning; clinical skills such as lesion localization and interpreting neuro-imaging; management skills for common scenarios such as raised intracranial pressure and status epilepticus; and technical skills such as lumbar puncture and external ventricular drain placement. Free text answers were concordant with the Likert scale results. Discussion: We surveyed Canadian neurosurgical program directors and PGY-1 residents to identify areas perceived as foundational to neurosurgical residency education and training. This information is valuable for evaluating the appropriateness of a training program’s goals and objectives, as well as for generating a national educational curriculum for incoming PGY-1 residents.
Functional categories related to verb inflection are not differentially impaired in Greek aphasia
Authors: PROTOPAPAS ATHANASSIOS , CHEIMARIOU SPYRIDOULA , ECONOMOU ALEXANDRA , KAKAVOULIA MARIA , VARLOKOSTA SPYRIDOULA
Published: January 2015

abstract

Previous research in Greek aphasia has indicated that functional categories related to verb inflection are differentially impacted, with Aspect most severely affected, Agreement least affected, and Tense occupying an intermediate position. However, research materials were not controlled for overall length or position of the verb within the sentence, confounding functional category with processing load. Using balanced materials, here we tested ten persons with aphasia and ten matched control participants on grammaticality judgment and sentence completion in three functional categories (agreement, tense, and aspect) using ten verbs spanning a range of familiarity. Production results indicated no difference in errors of either lexeme or inflectional morpheme selection. In grammaticality judgment acceptance of incorrect sentences was lower for Agreement but this pattern was mirrored in the control group as well. The results provide no basis to support a specific linguistic deficit in the representation of functional categories in Greek persons with aphasia.
The Weddell seals of Larsen Harbour, South Georgia: a unique but apparently declining colony
Authors: Burton Robert
Published: January 2015

The small population of Weddell seals at Larsen Harbour, South Georgia, is isolated from the rest of the species and is unique because nearly all pups are born on land rather than on sea-ice. Observations of seals in Larsen Harbour during the breeding season are summarised. These have been infrequent until cruise ships started to visit. With often only a single observation in a year, accurate estimates of pup production are impossible but it appears that the population has decreased over the last three decades.
The use of case marking for predictive processing in second language Japanese
Authors: MITSUGI SANAKO , MACWHINNEY BRIAN
Published: January 2015

Research on processing in English has shown that verb information facilitates predictive processing. Because Japanese verbs occur at the ends of clauses, this information cannot be used to predict the roles of preceding nominals. Kamide, Altmann and Haywood (2003) showed that native Japanese speakers use case markers to predict forthcoming linguistic items. In the present study, we investigated whether second language learners of Japanese demonstrate such predictive effects when processing sentences containing either the monotransitive or ditransitive constructions. A visual-world paradigm experiment showed that, although native speakers generated predictions for syntactic outcomes, the learners did not. These findings underscore the usefulness of morphosyntactic information in processing Japanese and indicate that learners fail to make full use of case markers to generate expectations regarding syntactic outcomes during online processing. Learners may rely on nonlinguistic information to compensate for this deficit in syntactic processing.
Maternal resources and household food security: evidence from Nicaragua
Authors: Schmeer Kammi K , Piperata Barbara A , Rodríguez Andrés Herrera , Torres Virgilio Mariano Salazar , Cárdenas Francisco José Centeno
Published: January 2015

Objective

Women (especially mothers) are theorized as critical to reducing household food insecurity through their work and caregiver roles. The present study tests these assumptions, assessing how maternal economic and social resources are associated with food insecurity in households with young children.

Design

Data from a population-based sample of households was collected in León, Nicaragua (n 443). Data include a newly validated measure of household food insecurity (ELCSA), maternal resource measures, and household economic status and demographics. Regression analysis tests the statistical associations (P<0·05) of maternal resources with household, adult-specific and child-specific food insecurity.

Setting

Municipality of León, Nicaragua.

Subjects

Households with children aged 3–11 years in rural and urban León.

Results

Only 25 % of households with young children were food secure, with 50 % mildly food insecure and 25 % moderately/severely food insecure. When mothers contributed substantially to household income, the odds of moderate/severe household food insecurity were 34 % lower than when their spouse/partner was the main provider. The odds of food insecurity were 60 % lower when mothers managed household money, 48 % lower when mothers had a secondary (v. primary) education, 65 % higher among single mothers and 16 % lower with each indicator of social support. Results were similar for adult- and child-specific food insecurity.

Conclusions

This research provides new evidence that maternal economic and social resources are important for reducing household food insecurity and adult- and child-specific food insecurity. Women’s social status, social support and access to economic resources need to be enhanced as a part of policies aimed to reduce food insecurity in high-poverty settings.
Comparison and evaluation of dietary quality between older and younger Mexican-American women
Authors: Pignotti Giselle AP , Vega-López Sonia , Keller Colleen , Belyea Michael , Ainsworth Barbara , Nagle Williams Allison , Records Kathie , Coonrod Dean , Permana Paska
Published: January 2015

Objective

To compare and evaluate the dietary quality of young and older sedentary Mexican-American women. Understanding key dietary concerns, while considering developmental transition periods and cultural relevance, can provide insight for developing appropriate nutrition interventions.

Design

Cross-sectional dietary data were collected using unannounced 24 h diet recalls to assess nutrient intake adequacy (Estimated Average Requirement cut-point method) and dietary quality (Healthy Eating Index (HEI) 2010).

Setting

Mujeres en Acción and Madres para la Salud, two community-based physical activity interventions.

Subjects

Participants were 139 young (28 (sd 6) years) and 124 older (55 (sd 7) years) overweight/obese sedentary Mexican-American women (BMI=25·0–35·0 kg/m2) of low socio-economic status.

Results

Older women consumed less Ca, Fe, folate, empty calories and energy from carbohydrate, but more fruit, vegetables, greens and beans, and fibre than younger women (all P<0·05). Over 60 % of all participants had an intake below recommendations for fibre, Ca, vitamin E, vitamin C and folate. Both groups had low total HEI-2010 scores (62 for older and 63 for younger women; NS), with 57 % of older and 48 % of younger women classified as having a poor diet.

Conclusions

Despite differences in nutrient requirements according to developmental transition periods (childbearing v. perimenopausal), overall, older and younger Mexican-American women generally had low-quality diets and may benefit from dietary quality improvement.
The relationship between amount of soda consumed and intention to reduce soda consumption among adults exposed to the Choose Health LA ‘Sugar Pack’ health marketing campaign
Authors: Robles Brenda , Blitstein Jonathan L , Lieberman Alicea J , Barragan Noel C , Gase Lauren N , Kuo Tony
Published: January 2015

Objective

To examine behavioural intention to reduce soda consumption after exposure to the Choose Health LA ‘Sugar Pack’ campaign in Los Angeles County, California, USA.

Design

A cross-sectional street-intercept survey was conducted to assess knowledge, attitudes, health behaviours and behavioural intentions after exposure to the ‘Sugar Pack’ campaign. A multivariable regression analysis was performed to examine the relationships between the amount of soda consumed and self-reported intention to reduce consumption of non-diet soda among adults who saw the campaign.

Setting

Three pre-selected Los Angeles County Metro bus shelters and/or rail stops with the highest number of ‘Sugar Pack’ campaign advertisement placements.

Subjects

Riders of the region’s Metro buses and railways who were the intended audience of the campaign advertisements.

Results

The overall survey response rate was 56 % (resulting n 1041). Almost 60 % of respondents were exposed to the advertisements (619/1041). The multivariable logistic regression analysis suggested that the odds of reporting intention to reduce soda consumption among moderate consumers (1–6 sodas/week) were 1·95 times greater than among heavy consumers (≥1 soda/d), after controlling for clustering and covariates. Respondents with less than a high-school education and who perceived sugary beverage consumption as harmful also had higher odds; in contrast, respondents aged ≥65 years had lower odds.

Conclusions

Results suggest that future campaigns should be tailored differently for moderate v. heavy consumers of soda. Similar tailoring strategies are likely needed for younger groups, for those with less educational attainment and for those who do not perceive consumption of soda as harmful.
Rewarming from Therapeutic Hypothermia Induces Cortical Neuron Apoptosis in a Swine Model of Neonatal Hypoxic–Ischemic Encephalopathy
Authors: Wang Bing , Armstrong Jillian S , Lee Jeong-Hoo , Bhalala Utpal , Kulikowicz Ewa , Zhang Hui , Reyes Michael , Moy Nicole , Spicer Dawn , Zhu Junchao , Yang Zeng-Jin , Koehler Raymond C , Martin Lee J , Lee Jennifer K
Published: January 2015

The consequences of therapeutic hypothermia for neonatal hypoxic–ischemic encephalopathy are poorly understood. Adverse effects from suboptimal rewarming could diminish neuroprotection from hypothermia. Therefore, we tested whether rewarming is associated with apoptosis. Piglets underwent hypoxia–asphyxia followed by normothermic or hypothermic recovery at 2 hours. Hypothermic groups were divided into those with no rewarming, rewarming at 0.5 °C/hour, or rewarming at 4 °C/hour. Neurodegeneration at 29 hours was assessed by hematoxylin and eosin staining, TUNEL assay, and immunoblotting for cleaved caspase-3. Rewarmed piglets had more apoptosis in motor cortex than did those that remained hypothermic after hypoxia–asphyxia. Apoptosis in piriform cortex was greater in hypoxic–asphyxic, rewarmed piglets than in naive/sham piglets. Caspase-3 inhibitor suppressed apoptosis with rewarming. Rapidly rewarmed piglets had more caspase-3 cleavage in cerebral cortex than did piglets that remained hypothermic or piglets that were rewarmed slowly. We conclude that rewarming from therapeutic hypothermia can adversely affect the newborn brain by inducing apoptosis through caspase mechanisms.
Artificial tektites: an experimental technique for capturing the shapes of spinning drops
Authors: Baldwin Kyle A. , Butler Samuel L. , Hill Richard J. A.
Published: January 2015

Determining the shapes of a rotating liquid droplet bound by surface tension is an archetypal problem in the study of the equilibrium shapes of a spinning and charged droplet, a problem that unites models of the stability of the atomic nucleus with the shapes of astronomical-scale, gravitationally-bound masses. The shapes of highly deformed droplets and their stability must be calculated numerically. Although the accuracy of such models has increased with the use of progressively more sophisticated computational techniques and increases in computing power, direct experimental verification is still lacking. Here we present an experimental technique for making wax models of these shapes using diamagnetic levitation. The wax models resemble splash-form tektites, glassy stones formed from molten rock ejected from asteroid impacts. Many tektites have elongated or ‘dumb-bell’ shapes due to their rotation mid-flight before solidification, just as we observe here. Measurements of the dimensions of our wax ‘artificial tektites’ show good agreement with equilibrium shapes calculated by our numerical model and with previous models. These wax models provide the first direct experimental validation for numerical models of the equilibrium shapes of spinning droplets, of importance to fundamental physics and also to studies of tektite formation.
Rapidly prototyped multi-scale electrodes to minimize the voltage requirements for bacterial cell lysis
Authors: Gabardo Christine M. , Kwong Aaron M. , Soleymani Leyla
Published: January 2015

Rapidly prototyped multi-scale electrodes increase the lysis efficiency and reduce the voltage requirement of electrical lysis chips.
A validated method to measure benzo[a]pyrene concentrations in tobacco by high-performance liquid chromatography-fluorescence detection
Authors: Carradus M. , McAdam K. G. , van Heemst J. D. H. , Goss C. H. A. , Wright C.
Published: January 2015

This publication describes a validated method suitable for the quantification of benzo[a]pyrene (B[a]P) in tobacco blend and smokeless tobacco products by High-Performance Liquid Chromatography-Fluorescence Detection (HPLC-FLD).
A colorimetric assay of dopamine utilizing melamine modified gold nanoparticle probes
Authors: Chen Zhengbo , Zhang Chenmeng , Wang Cong
Published: January 2015

A colorimetric assay of dopamine utilizing melamine modified gold nanoparticles.
A novel approach to determine the tyrosine concentration in human plasma by DART-MS/MS
Authors: Song Yu-qiao , Liao Jie , Zha Cheng , Wang Bin , Liu Charles C.
Published: January 2015

A novel approach to determine the tyrosine concentration in human plasma was developed using direct analysis in real time mass spectrometry (DART-MS/MS).
Simultaneous determination of three alkaloids in Huperzia serrata by UPLC-PDA and UPLC-Q/TOF-MS
Authors: Zhao Xiangsheng , Wang Deli , Luo Hongmei , Yang Meihua
Published: January 2015

An analytical method based on reflux extraction and detection by UPLC-PDA was established.
A single-molecular twin rotor: correlated motion of two pyrimidine rings coordinated to copper
Authors: Takara Yusuke , Kusamoto Tetsuro , Masui Tatsuya , Nishikawa Michihiro , Kume Shoko , Nishihara Hiroshi
Published: January 2015

A single molecular twin rotor comprising a copper complex exhibits the correlation of the motions of two coordinated pyrimidine rings.
Imine-functionalised protic NHC complexes of Ir: direct formation by C–H activation
Authors: He Fan , Braunstein Pierre , Wesolek Marcel , Danopoulos Andreas A.
Published: January 2015

N-Arylimine-functionalised imidazolium salts afford imidazole or pNHC complexes by competing N–H or C–H bond activation depending on the imidazolium counterion.
Solid-state identity of 2-hydroxynicotinic acid and its polymorphism
Authors: Long Sihui , Zhou Panpan , Theiss Kathryn L. , Siegler Maxime A. , Li Tonglei
Published: January 2015

The solid-state identity of 2-hydroxynicotinic acid is unveiled to be its tautomer, 2-oxo-1,2-dihydro-3-pyridinecarboxylic acid (2-ODHPCA), by both experimental and computational means. Four distinctive crystal structures are discovered of the compound.
Solid state structures ofp-cresol revisited
Authors: Batisai Eustina , Smith Vincent J. , Bourne Susan A. , Báthori Nikoletta B.
Published: January 2015

Detailed analysis of the two polymorphic solid state forms ofp-cresol are presented and possible transformation of the two forms are proposed.
Ordered mesoporous silica films with pores oriented perpendicular to a titanium nitride substrate
Authors: Robertson Calum , Beanland Richard , Boden Stuart A. , Hector Andrew L. , Kashtiban Reza J. , Sloan Jeremy , Smith David C. , Walcarius Alain
Published: January 2015

Thin mesoporous films are demonstrated with pores oriented perpendicular to a titanium nitride growth surface.
Schottky barrier and surface plasmonic resonance phenomena towards the photocatalytic reaction: study of their mechanisms to enhance photocatalytic activity
Authors: Khan Maksudur R , Chuan Tan Wooi , Yousuf Abu , Chowdhury M. N. K. , Cheng Chin Kui
Published: January 2015

The article reviews the mechanism, how Schottky barrier and the SPR phenomena help to improve a photoreaction, focusing on the paradox between the Schottky barrier and SPR in the matter of the way of electron flow in the metal/semiconductor system.
A highly sensitive and recyclable SERS substrate based on Ag-nanoparticle-decorated ZnO nanoflowers in ordered arrays
Authors: Tao Qiang , Li Shuai , Ma Chunyu , Liu Kun , Zhang Qing-Yu
Published: January 2015

A periodic Ag-nanoparticle-decorated ZnO nanoflower array was fabricated as a 3D SERS substrate with ultrasensitivity, good reproducibility, recyclability, and a long service lifetime.
Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes
Authors: Borau-Garcia J. , Gutsulyak D. V. , Burford R. J. , Piers W. E.
Published: January 2015

Nickel(ii) hydroxo compounds supported by an electron rich PCP pincer ligand are active catalysts for the selective hydration of a variety of nitriles at low catalyst loadings and mild conditions.
Multiphysics modelling, quantum chemistry and risk analysis for corrosion inhibitor design and lifetime prediction
Authors: Taylor C. D. , Chandra A. , Vera J. , Sridhar N.
Published: January 2015

Organic corrosion inhibitors can provide an effective means to extend the life of equipment in aggressive environments, decrease the environmental, economic, health and safety risks associated with corrosion failures and enable the use of low cost steels in place of corrosion resistant alloys. To guide the construction of advanced models for the design and optimization of the chemical composition of organic inhibitors, and to develop predictive tools for inhibitor performance as a function of alloy and environment, a multiphysics model has been constructed following Staehle's principles of “domains and microprocesses”. The multiphysics framework provides a way for science-based modelling of the various phenomena that impact inhibitor efficiency, including chemical thermodynamics and speciation, oil/water partitioning, effect of the inhibitor on multiphase flow, surface adsorption and self-assembled monolayer formation, and the effect of the inhibitor on cathodic and anodic reaction pathways. The fundamental tools required to solve the resulting modelling from a first-principles perspective are also described. Quantification of uncertainty is significant to the development of lifetime prediction models, due to their application for risk management. We therefore also discuss how uncertainty analysis can be coupled with the first-principles approach laid out in this paper.
A design equation for low dosage additives that accelerate nucleation
Authors: Poon Geoffrey G. , Seritan Stefan , Peters Baron
Published: January 2015

Additives are used to control nucleation in many natural and industrial environments. However, the mechanisms by which additives inhibit or accelerate solute precipitate nucleation are not well understood. We propose an equation that predicts changes in nucleation barriers based on the adsorption properties and concentrations of trace additives. The equation shows that nucleant efficacy depends on the product of an adsorption equilibrium constant and the reduction in interfacial tension. Moreover, the two factors that determine the potency of additives are related to each other, suggesting that assays of just one property might facilitate additive design. We test the design equation for a Potts lattice gas model with surfactant-like additives in addition to solutes and solvents.
Towards feasible and scalable solvent-free enzymatic polycondensations: integrating robust biocatalysts with thin film reactions
Authors: Pellis Alessandro , Corici Livia , Sinigoi Loris , D'Amelio Nicola , Fattor Diana , Ferrario Valerio , Ebert Cynthia , Gardossi Lucia
Published: January 2015

Robust covalently immobilized lipase used in thin-film processes makes enzymes recyclable and improves mass/heat transfer.
A novel fluidic control method for nanofluidics by solvent–solvent interaction in a hybrid chip
Authors: Fu Guangchun , Zheng Zezhi , Li Xin , Sun Yue , Chen Hong
Published: January 2015

A fluidic control method for nanofluidics is realized by the interaction between the solvents at the two-phase interface.
Applications of mass spectrometry for cellular lipid analysis
Authors: Wang Chunyan , Wang Miao , Han Xianlin
Published: January 2015

We present the principles, advantages, and possible limitations of ESI and MALDI mass spectrometry-based methodologies for the analysis of lipid species.
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
Authors: Zhang Aili , Zhang Ting , Hall Emma A. , Hutchinson Sean , Cryle Max J. , Wong Luet-Lok , Zhou Weihong , Bell Stephen G.
Published: January 2015

The structure of CYP109B1 fromBacillus subtilis, which catalyses the oxidation of ionones, has been determined. This will allow the future design of more efficient biocatalytic monooxygenase systems.
Cage-like pores of a metal–organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis
Authors: Zhu Yu , Wang Yan-Mei , Liu Pan , Wu Yun-Long , Wei Wei , Xia Chang-Kun , Xie Ji-Min
Published: January 2015

A porous MOF can be applied for separation of organic compounds and drug delivery. It shows high catalytic reduction of 4-nitrophenol after embedding Pd NPs.
A UiO-66 analogue with uncoordinated carboxylic acids for the broad-spectrum removal of toxic chemicals
Authors: DeCoste Jared B. , Demasky Tyler J. , Katz Michael J. , Farha Omar K. , Hupp Joseph T.
Published: January 2015

A new metal–organic framework analogue is stable under ambient conditions with the ability to remove toxic gases.
Supramolecular control of transition metal complexes in water by a hydrophobic cavity: a bio-inspired strategy
Authors: Bistri Olivia , Reinaud Olivia
Published: January 2015

Different strategies for obtaining water-soluble cavity-appended metal complexes are described, and their resulting interlocked assets are discussed in relationship with the very specific properties of water as a solvent.
A highly selective and sensitive fluorescence “turn-on” fluoride ion sensor
Authors: Lin Qi , Yang Qing-Ping , Sun Bin , Lou Jin-Chao , Wei Tai-Bao , Zhang You-Ming
Published: January 2015

A highly selective and sensitive fluorescence “turn-on” and colorimetric dual-channel fluoride ion sensor.
Effect of functional groups on dielectric, optical gas sensing properties of graphene oxide and reduced graphene oxide at room temperature
Authors: Kavinkumar T. , Sastikumar D. , Manivannan S.
Published: January 2015

Partial reduction of graphene oxide (GO) was accomplished through heat treatment at 110 and 220 °C. Role of various oxygen functional groups in graphene and their gas sensing and electrical properties at room temperature were reported.
A new soft dielectric silicone elastomer matrix with high mechanical integrity and low losses
Authors: Madsen F. B. , Yu L. , Daugaard A. E. , Hvilsted S. , Skov A. L.
Published: January 2015

Alkyl chloride-functional siloxane copolymers are synthesised as the basis for a new soft matrix for dielectric elastomers.
Polyphenylsulfone-based solvent resistant nanofiltration (SRNF) membrane incorporated with copper-1,3,5-benzenetricarboxylate (Cu-BTC) nanoparticles for methanol separation
Authors: Sani N. A. A. , Lau W. J. , Ismail A. F.
Published: January 2015

Mixed matrix membranes (MMMs) of various properties were prepared for a solvent resistant nanofiltration (SRNF) by incorporating polyphenylsulfone (PPSU) membranes with copper-1,3,5-benzenetricarboxylate (Cu-BTC) nanoparticles at different loadings.
FeN stabilized FeN@Pt core–shell nanostructures for oxygen reduction reaction
Authors: Ding Xiao , Yin Shibin , An Kang , Luo Lin , Shi Nai , Qiang Yinghuai , Pasupathi Sivakumar , Pollet Bruno G. , Shen Pei Kang
Published: January 2015

The PtFe3N/C has good activity for ORR, which also has amazing stability even after 30k cycles accelerated durability test.
Multiwalled carbon nanotube@reduced graphene oxide nanoribbon heterostructure: synthesis, intrinsic peroxidase-like catalytic activity, and its application in colorimetric biosensing
Authors: Qian Jing , Yang Xingwang , Yang Zhenting , Zhu Gangbing , Mao Hanping , Wang Kun
Published: January 2015

The MWCNT@rGONR core–shell heterostructure was proved to be a novel peroxidase mimetic and has been used for colorimetric biosensing of cholesterol.
A modified weight-of-evidence approach to evaluate the allergenic potential of food proteins
Authors: Sun Na , Tekutyeva Liudmila , Wang Shiping , Pu Qiankun , Zhou Cui , Wang Jing , Che Huilian
Published: January 2015

Schematic interpretation of a modified weight-of-evidence approach for evaluating the allergenic potential of food proteins.
System evaluation of a practical IEEE 802.15.4/4e/4g multi‐physical and multi‐hop smart utility network
Authors: Sum Chin‐Sean , Lu Liru , Zhou Ming‐Tuo , Kojima Fumihide , Harada Hiroshi
Published: January 2015

This study evaluates the performance of a practical IEEE 802.15.4/4e/4g low‐rate (LR) wireless personal area network (WPAN) with multiple physical (PHY) layers and multi‐hop capabilities for smart utility networks, machine‐to‐machine networks and other advanced sensor networks. The proposal includes realistic design considerations addressing demands of practical applications, country‐specific regulatory requirements and technical specification in international standards. A cross‐layer open system interconnection model from the application, transport, network, medium access control, down to the multiple PHY layers is constructed based on the specification in IEEE 802.15.4 LR‐WPAN and other layer‐specific standards. Employing the cross‐layer model, extensive computer simulations were conducted to investigate the performance of the LR‐WPAN system in this application domain. As a result, the authors have successfully verified the simulated achievable average throughput in both PHY layer designs, multi‐rate and multi‐regional frequency shift keying (MR‐FSK) and multi‐rate and multi‐regional orthogonal frequency division multiplexing (MR‐OFDM) with the theoretical throughput by calculation. Secondly, in a multi‐PHY environment with the presence of 30 interferer devices, throughput degradation of the victim system is observed within 30%. Furthermore, when interferer devices transmit frames with interval beyond 1 s, the degradation to the victim system becomes negligible. Thirdly, MR‐FSK PHY has a simpler design with higher energy‐efficiency, whereas MR‐OFDM PHY is more complicated with more resilience to interference. They have found an interference tolerance capability difference of 15 dB between the MR‐FSK and MR‐OFDM systems. Fourthly, comparing with their single‐hop counterparts, multi‐hop systems have lower average throughput in MR‐FSK by 25% and MR‐OFDM by 10%. Finally, comparing with networks with periodical beacon transmissions, asynchronous networks have more inferior average throughput of 20% in MR‐FSK and 3% in MR‐OFDM, with the advantage of longer battery lifespan.
Ambulante Operationen in HNO-Ausbildungskliniken – ökonomischer (Un)sinn?
Authors: Bermüller C. , Hahn J. , Franzen M. , Sommer F.
Published: January 2015

Hintergrund: Zunehmender Kostendruck und von Politik und Krankenkassen geforderte Effizienzsteigerungen im Gesundheitssystem führen zu mehr ambulant durchgeführten Operationen, die im Vergleich zu stationären Operationen reduziert vergütet werden. Daher werden von der Hochschulmedizin und der Deutschen Krankenhausgesellschaft Ausbildungszuschläge gefordert. Bisher existieren nur wenige Studien, welche die Diskrepanz von OP-Zeiten und den dadurch entstehenden Mehrkosten in der Ausbildung von Fachärzten genauer untersucht haben.

Methoden: Retrospektive Analyse aller 2012 ambulant durchgeführten Adenotomien mit oder ohne Parazentese bzw. Paukendrainageneinlage in 2 HNO-Ausbildungs-Kliniken bei Kindern unter 13 Jahren. Es wurde die OP-Dauer in Abhängigkeit des Ausbildungsstands des Operateurs analysiert und stratifiziert nach Weiterbildungsjahr untereinander und gegen Fachärzte verglichen.

Ergebnisse: 255 Datensätze wurden erfasst. Es ließen sich statistisch signifikante Operationsdauer-Unterschiede je nach Weiterbildungsstand gegenüber Fachärzten feststellen. So findet sich über alle erfassten Eingriffe eine durchschnittlich 2,4-fach erhöhte OP-Zeit eines Weiterbildungsassistenten im ersten Jahr gegenüber der OP-Zeit eines Facharztes.

Schlussfolgerung: Anhand eines klassisch ambulant durchzuführenden HNO-ärztlichen Eingriffs konnte gezeigt werden, dass aufgrund der längeren OP-Zeiten von jungen Weiterbildungsassistenten bei ambulanten Operationen keine Kostendeckung möglich ist. Zur Sicherstellung und Verbesserung der Ausbildung sind an Ausbildungskliniken Zuschläge erstrebenswert und sinnvoll.
Single photon simultaneous K-shell ionization and K-shell excitation. II. Specificities of hollow nitrogen molecular ions
Authors: Carniato S. , Selles P. , Andric L. , Palaudoux J. , Penent F. , Žitnik M. , Bučar K. , Nakano M. , Hikosaka Y. , Ito K. , Lablanquie P.
Published: January 2015

The formalism developed in the companion Paper I is used here for the interpretation of spectra obtained recently on the nitrogen molecule. Double core-hole ionization K−2 and core ionization-core excitation K−2V processes have been observed by coincidence electron spectroscopy after ionization by synchrotron radiation at different photon energies. Theoretical and experimental cross sections reported on an absolute scale are in satisfactory agreement. The evolution with photon energy of the relative contribution of shake-up and conjugate shake-up processes is discussed. The first main resonance in the K−2V spectrum is assigned to a K−2π∗ state mainly populated by the 1s→ lowest unoccupied molecular orbital dipolar excitation, as it is in the K−1V NEXAFS (Near-Edge X-ray Absorption Fine Structure) signals. Closer to the K−2 threshold Rydberg resonances have been also identified, and among them a K−2σ∗ resonance characterized by a large amount of 2s/2p hybridization, and double K−2(2σ∗/1π/3σ)−11π∗2 shake-up states. These resonances correspond in NEXAFS spectra to, respectively, the well-known σ∗ shape resonance and double excitation K−1(2σ∗/1π/3σ)−11π∗2 resonances, all being positioned above the threshold.
Two-dimensional NMR measurement and point dipole model prediction of paramagnetic shift tensors in solids
Authors: Walder Brennan J. , Dey Krishna K. , Davis Michael C. , Baltisberger Jay H. , Grandinetti Philip J.
Published: January 2015

A new two-dimensional Nuclear Magnetic Resonance (NMR) experiment to separate and correlate the first-order quadrupolar and chemical/paramagnetic shift interactions is described. This experiment, which we call the shifting-d echo experiment, allows a more precise determination of tensor principal components values and their relative orientation. It is designed using the recently introduced symmetry pathway concept. A comparison of the shifting-d experiment with earlier proposed methods is presented and experimentally illustrated in the case of 2H (I = 1) paramagnetic shift and quadrupolar tensors of CuCl2⋅2D2O. The benefits of the shifting-d echo experiment over other methods are a factor of two improvement in sensitivity and the suppression of major artifacts. From the 2D lineshape analysis of the shifting-d spectrum, the 2H quadrupolar coupling parameters are 〈Cq〉 = 118.1 kHz and 〈ηq〉 = 0.88, and the 2H paramagnetic shift tensor anisotropy parameters are 〈ζP〉 = − 152.5 ppm and 〈ηP〉 = 0.91. The orientation of the quadrupolar coupling principal axis system (PAS) relative to the paramagnetic shift anisotropy principal axis system is given by (α,β,γ)=(π2,π2,0). Using a simple ligand hopping model, the tensor parameters in the absence of exchange are estimated. On the basis of this analysis, the instantaneous principal components and orientation of the quadrupolar coupling are found to be in excellent agreement with previous measurements. A new point dipole model for predicting the paramagnetic shift tensor is proposed yielding significantly better agreement than previously used models. In the new model, the dipoles are displaced from nuclei at positions associated with high electron density in the singly occupied molecular orbital predicted from ligand field theory.
Effect of temperature on the low-frequency vibrational spectrum and relative structuring of hydration water around a single-stranded DNA
Authors: Chakraborty Kaushik , Bandyopadhyay Sanjoy
Published: January 2015

Molecular dynamics simulations of the single-stranded DNA oligomer (5′-CGCGAAT TCGCG-3′) in aqueous solution have been carried out at different temperatures between 160 K and 300 K. The effects of temperature on the low-frequency vibrational spectrum and local structural arrangements of water molecules hydrating the DNA strand have been explored in detail. The low-frequency density of states distributions reveal that increasingly trapped transverse water motions play a dominant role in controlling the band corresponding to O⋯O⋯O bending or transverse oscillations of hydration water at supercooled temperatures. In addition, presence of a broad band around 260 (±20) cm−1 under supercooled conditions indicates transformation from high density liquid-like structuring of hydration water at higher temperatures to that of a low density liquid at lower temperatures. It is found that long-range correlations between the supercooled hydration water molecules arise due to such local structural transition around the DNA oligomer.