bluuebunny/crossref_metadata_2025 huggingface dataset:
A novel approach to evaluate and compare computational snow avalanche simulation
Authors: Fischer J.-T.
Published: June 2013

Abstract. An innovative approach for the analysis and interpretation of snow avalanche simulation in three dimensional terrain is presented. Snow avalanche simulation software is used as a supporting tool in hazard mapping. When performing a high number of simulation runs the user is confronted with a considerable amount of simulation results. The objective of this work is to establish an objective, model independent framework to evaluate and compare results of different simulation approaches with respect to indicators of practical relevance, providing an answer to the important questions: how far and how destructive does an avalanche move down slope. For this purpose the Automated Indicator based Model Evaluation and Comparison (AIMEC) method is introduced. It operates on a coordinate system which follows a given avalanche path. A multitude of simulation runs is performed with the snow avalanche simulation software SamosAT (Snow Avalanche MOdelling and Simulation – Advanced Technology). The variability of pressure-based run out and avalanche destructiveness along the path is investigated for multiple simulation runs, varying release volume and model parameters. With this, results of deterministic simulation software are processed and analysed by means of statistical methods. Uncertainties originating from varying input conditions, model parameters or the different model implementations are assessed. The results show that AIMEC contributes to the interpretation of avalanche simulations with a broad applicability in model evaluation, comparison as well as examination of scenario variations.
Influence of targeted observations on short-term forecasts of high-impact weather events in the Mediterranean
Authors: Campins J. , Navascués B. , Santos C. , Amo-Baladrón A.
Published: June 2013

Abstract. The influence of targeted observations on short-range forecasts is tested over two different periods of PREVIEW (2008) and MEDEX (2009) Data Targeting field campaigns for a set of Mediterranean high-impact weather events. As targeted observations we have used not only extra radiosondes, but also enhanced satellite data observed in Singular Vectors (SVs) based sensitive regions. Three parallel observing system experiments, based on the High Resolution Limited-Area Model (HIRLAM) data assimilation and forecast system, have been conducted. Forecasts of the three experiments have been assessed using both verifying analyses for upper air fields, and surface observations for several meteorological parameters. Furthermore, quantitative precipitation forecasts (QPF) have been objectively verified using the novel feature oriented Structure–Amplitude–Location (SAL) method. The results obtained show that targeted observations have a generally positive impact. When enhanced satellite data are assimilated, the overall forecast skill is doubled. However, a distinct behaviour is found between PREVIEW and MEDEX cases. While for MEDEX cases the improvement is slight, for PREVIEW cases it is significant. It is suggested that this is due to the location of the target areas and the spatial distribution of the composite observing system and to the different atmospheric predictability in these two periods.
Modelling of tsunami wave run-up, breaking and impact on vertical wall by SPH method
Authors: Dao M. H. , Xu H. , Chan E. S. , Tkalich P.
Published: June 2013

Abstract. Accurate predictions of wave run-up and run-down are important for coastal impact assessment of relatively long waves such as tsunami or storm waves. Wave run-up is, however, a complex process involving nonlinear build-up of the wave front, intensive wave breaking and strong turbulent flow, making the numerical approximation challenging. Recent advanced modeling methodologies could help to overcome these numerical challenges. For a demonstration, we study run-up of non-breaking and breaking solitary waves on vertical wall using two methods, the enhanced Smoothed Particle Hydrodynamics (SPH) method and the traditional non-breaking nonlinear model Tunami-N2. The Tunami-N2 model fails to capture the evolution of steep waves at the proximity of breaking that observed in the experiments. Whereas, the SPH method successfully simulate the wave propagation, breaking, impact on structure and the reform and breaking processes of wave run-down. The study also indicates that inadequate approximation of the wave breaking could lead to significant under-predictions of wave height and impact pressure on structures. The SPH model shows potential applications for accurate impact assessments of wave run-up onto coastal structures.
Lawrynomyces, a new genus of corticioid fungi in the Hymenochaetales
Authors: Karasiński Dariusz
Published: June 2013

The new genus Lawrynomyces is proposed to accommodate Hyphoderma capitatum, a predominantly European species growing on decayed coniferous wood. The genus belongs to the Rickenella-clade in the order Hymenochaetales, and it includes species characterized by resupinate basidiomes, monomitic hyphal system with simple septate hyphae, presence of cystidia and hyphidia, suburniform to subcylindrical, pedunculate basidia, and subglobose to broadly ellipsoid basidiospores with slightly thickened walls not staining in Melzer's reagent or Cotton Blue. Published molecular data support the recognition of a distinct genus for Hyphoderma capitatum.
The unusual Gasteromycetes Lycogalopsis solmsii belongs to the gomphoid-phalloid group
Authors: Demoulin Vincent , Cornet Luc , Delbruyère Emilie , Baurain Denis
Published: June 2013

The rare tropical Gasteromycetes Lycogalopsis solmsii has been found twice at thirty years interval in the Singapore Botanic Gardens. From the most recent find a culture could be isolated, which allowed DNA extraction and sequencing of about 2000 bp from the nuclear ribosomal DNA. Comparison to a large sample of Basidiomycetes was only possible for a part of the large ribosomal subunit, but clearly indicated affiliation to the gomphoid-phalloid group, without any relationship to Lycoperdales or Agaricales, as stated in the Dictionary of the Fungi.
Arcangeliella scissilis, a rare American semihypogeous fungus
Authors: Calonge Francisco D. , Mata Milagro
Published: June 2013

As a consequence of the finding of Arcangeliella scissilis in Costa Rica, we thought to carry out a full description of this material, giving some aspects on its taxonomy, ecology and distribution.
Site characteristics of Tuber magnatum in Greece
Authors: Christopoulos Vasilios , Psoma Polyxeni , Diamandis Stephanos
Published: June 2013

Day after day it is being demonstrated that Greece hides a buried treasure in its forests. The wild black truffles Tuber aestivum, T. uncinatum, T. brumale and T. melanosporum and the white truffle T. borchii and recently T. magnatum are picked in a variety of forest ecosystems all over the country. The information which has been collected has initiated a national programme on truffle cultivation which, so far, has immense appeal, especially among young farmers. The discovery of carpophores of T. magnatum, the most valued white truffle in the market, triggered the interest in studying the site characteristics, botanical and pedological, in order to help farmers to cultivate the species in similar sites. All carpophores were found under hornbeam (Carpinus orientalis) along the banks of a creek on alluvial sediment. Soil analyses of four soil samples from truffle nests showed a narrow range of values of pH in water (7.57–7.78) and 1N KCL (6.94–7.07) and a similar granulometric soil texture.
Changes of hypogeous funga in the Carpathian-Pannonian region in the past centuries
Authors: Bratek Zoltán , Merényi Zsolt , Varga Torda
Published: June 2013

The exploration of hypogeous fungi in the Carpathian-Pannonian region speeded up in the past decades, owing to the widespread of truffle hunting with dogs. As a result, not only several new species were found in the region, but our view of the frequency of truffles also changed fundamentally. It became evident that Tuber aestivum, T. brumale, T. macrosporum, T. magnatum, T. mesentericum and Mattirolomyces terfezioides can be collected in commercial quantity. Among the dog preferred hypogeous fungi (DPH) several species, earlier believed to be rare like Octaviania asterosperma and Stephensia bombycina, also occurred. The taxonomic alterations and revisions brought about changes in the list of hypogeous fungi, and further changes are expected from molecular taxonomy research on a number of genera at present.
Preliminary study of endophytic fungi in timothy (Phleum pratense) in Estonia
Authors: Varvas Triin , Kasekamp Kristina , Kullman Bellis
Published: June 2013

Timothy (Phleum pratense L.) is an important agricultural grass in Europe and North America, but there is little research into the occurrence and abundance of fungal endophyte species associated with this grass. The aim of this study was to identify fungal endophytes living within P. pratense and to determine if additional moisture applied during the growing season increases the diversity of endophytic fungi. We studied 58 isolates obtained from surface-sterilised blades of 60 P. pratense plants collected from Rõka Free Air Humidity Manipulation experimental plots (FAHM), Estonia. Morphological and molecular methods were used for isolate identification. As a result, 45 strains from 10 different taxa were identified, all belonging to Ascomycota. Five species were found to be new to P. pratense.
Parasites of zooplankton and periphyton assemblages in the littoral zone of lakes in Drawa National Park, Poland
Authors: Wolska Maria , Mazurkiewicz-Zapałowicz Kinga
Published: June 2013

Studies on parasitism in zooplankton and periphyton assemblages were carried out on samples of water collected from Lakes Płociczno and Płociowe in the Drawa National Park in 2008-2011. Occurrence of the fungal mycobiotal and protozoan parasites of invertebrates was recorded in both lakes. Parasitism of Chydorus sp. (Cladocera) by Saprolegnia sp. occurred on 0.8% of individuals of the host population, of Brachionus calyciflorus (Rotifera) by Microsporidium sp. on 1.2% of the host population, and of Nematoda members by Pythium sp. on 5% of the host population. Parasites were recorded only in springtime.
Species diversity of yeast-like fungi in some eutrophic lakes in Olsztyn
Authors: Biedunkiewicz Anna , Dynowska Maria , Ejdys Elżbieta , Sucharzewska Ewa
Published: June 2013

The study is part of hydromycological investigations of man-affected water bodies in Olsztyn. Our results show that yeast-like fungi are permanent components in three selected lakes (lakes Tursko, Długie and Skanda). Their abundance and species composition depend on the trophic state of each lake.
Effects of wild boar grazing on the yield of summer truffle (Tuscany, Italy)
Authors: Salerni Elena , Gardin Lorenzo , Baglioni Francesca , Perini Claudia
Published: June 2013

The research presented here seeks to describe the impact of wild boar to a natural truffle ground of Tuber aestivum Vittad. on Monte Amiata (Tuscany – Italy). Pedoclimatic analyses indicated that the selected area could be considered suitable for the truffle production. Then classification of the vegetation of a Quercus cerris forest was carried out exploring the possibility of the BACI (Before-After-Control-Impact) sampling design. Finally 10 plots were selected, half of which have been fenced. For the first time the impact of wild boar was evaluated by estimating the surface area turned over by its activity. Moreover in each plot the number and weight of summer truffles was performed every 10 days during the fruiting period (June-November 2006-2008). The hypothesis that the presence of Sus scrofa has a strong negative influence on truffle harvesting has been amply confirmed by the data presented here, given the large increase of fruiting bodies of the summer truffle collected in the fenced plots. Consequently the destructive behaviour of the wild boar imply not only an ecological but also an economic damage in areas in which non-wood forest products are an important source of income.
Sarcosoma globosum – an indicator of climate change?
Authors: Ohenoja Esteri , Kaukonen Maarit , Ruotsalainen Anna L.
Published: June 2013

Occurrence of a spring ascomycete, Sarcosoma globosum has increased in Finland during the last three decades. River banks and old spruce forests are its typical habitats. Some of its habitats are damaged or even destroyed, however, because of forestry and building of roads and houses. It is a care-demanding fungus on the Finnish Red List, according to the IUCN criteria, but its present status is being discussed.
Distribution of Erysiphe platani (Erysiphales) in Ukraine
Authors: Heluta Vasyl P. , Korytnianska Viktoria G. , Akata Ilgaz
Published: June 2013

Information is provided on Erysiphe platani, a newly invasive fungus in Ukraine. The anamorph of this North American powdery mildew was first recorded in Ukraine in 1986 on Platanus orientalis in the Nikita Botanical Garden (Crimea). Later, it was found in other localities of the Crimean peninsula, and in Odessa and Odessa region on three species of plane, namely P. × hispanica, P. occidentalis and P. orientalis. Spread of the fungus was epiphytotic. This mildew significantly reduces the ornamental value of plane trees, which are often planted in public open spaces within urban areas of southern Ukraine. Recently, E. platani has formed the teleomorph in this region. Morphologically, the Ukrainian material is slightly different from the species description, viz. appendages are longer (up to 3 times the chasmothecial diam.), often with less compact apices.
Battarrea phalloides in Macedonia: genetic variability, distribution and ecology
Authors: Martín María P. , Rusevska Katerina , Dueñas Margarita , Karadelev Mitko
Published: June 2013

Morphological and molecular analyses of Battarrea phalloides from Macedonia were done. While B. phalloides specimens shown three kind of spore ornamentation, each one related to a clade in the phylogenetic ITS nrDNA tree; all specimens from Macedonia shown spores with anastomosing truncate ridges and very low variability of the ITS nrDNA sequences. The low genetic variability of these specimens, could be because of genetic drift.
The occurrence of Amanita strobiliformis (Paulet ex Vittad.) Bertill. in Szczecin and its distribution in Poland
Authors: Friedrich Stefan
Published: June 2013

Results of long-term research into the occurrence of Amanita strobiliformis in Szczecin are presented. Five new localities of the species are described and its distribution in Poland is discussed.
Jus Post Bellum as a Deliberative Process: Transnationalising Peace-Building
Authors: Bohman James
Published: June 2013

The approach to peace-building is explored on two levels. The first is to see peace-building as the product of reconstructing political society so that it becomes more transnational, not only in the sense of having greater diversity, but also in distributing decisional powers more broadly. A necessary condition for constructing a transnational society is to create the ties of communicative status across the borders of communities. In Northern Ireland, these borders were religious, and the multi-track processes across the boundaries of conflict helped to produce the ties that supported the settlement. In many cases, the construction of a transnational society with its own norms and forms of interaction and communication is facilitated by various intermediaries, such as the peace networks in Northern Ireland that cut across religious difference. Second, on this same model, a global multilevel dialogue about peace and justice also seems possible, especially as transnational public spheres expand the scope of interaction, and this process is also aided by the emergence of new intermediaries such as the World Social Forum. Such intermediaries are not the only way in which transnational forums are created; indeed various formal institutions may act as forums, including various international courts in which debates about the scope and applications of international criminal, humanitarian and human rights norms are worked out publicly in deliberation.
Toward a Global Cosmopolis? On the Formation of a Cosmopolitan Cultural Model
Authors: Strydom Piet
Published: June 2013

This article offers a critical assessment of the prospects of the emergence of a global cosmopolitan society. For this purpose, it presents an analysis of the different interrelated types of structure formation in the process of cosmopolitisation and the mechanisms sustaining each. It deals with both the generation of a variety of actor-based models of world openness at the micro and meso level and with the reflexive meta-principle of cosmopolitanism forming part of the cognitive order of society at the macro level. But the focus is on the formation of an intermediate, substantive, situational, cultural model of cosmopolitanism which is on the one hand guided by the abstract principle of cosmopolitanism and on the other selectively brings together the actor models. Central to this analysis of cultural model formation is the threefold or triple contingency structure of the communication involved. The diagnosis, which takes a variety of conditions into account, is that the vital central moment of the formation of a substantive cultural model that would frame the organisation of a normative social order is deficient, which implies that the societal learning process supposed to engender it is being diverted, impeded or blocked. An explanation along the lines of critical social theory is proposed with reference to socio-structural and sociocultural causal factors.
Arctic Borderlands Ecological Knowledge Cooperative: can local knowledge inform caribou management?
Authors: Russell Don E. , Svoboda Michael Y. , Arokium Jadah , Cooley Dorothy
Published: June 2013

While quantitative analyses have traditionally been used to measure overall caribou herd health, qualitative observational data can also provide timely information that reflects what people on the land are observing. The Arctic Borderlands Ecological Knowledge Co-op (ABEKC) monitors ecological change in the range of the Porcupine Caribou Herd (PCH). The community-based monitoring component of the Co-op’s mandate involves the gathering of local knowledge through interviews with local experts in a number of communities.We analyzed the responses to interviews collected during 2000–2007 related to caribou availability, harvest success, meeting needs and caribou health during fall and spring. Interviews revealed 1) caribou greater availability during the survey period, 2) an increasing trend in the proportion of harvesters that met their needs 3) no trend in animals harvested or proportion of successful hunters and 4) improving overall caribou health throughout the period.There was no population estimate for the herd between 2001 and 2010. In 2001, 123,000 caribou were estimated in the herd. Based on an estimated 178,000 in 1989, a declining trend of ~ 3% annually occurred at least until 2001. In the interim agencies and boards feared the herd continued to decline and worked towards and finalized a Harvest Management Plan for the herd. In contrast, from the Co-op interviews all indications suggested improving herd conditions throughout most of the decade. A successful survey in 2010 determined the herd had grown to 169,000 animals. We conclude that the community-based interviews provided a valid, unique information source to better understand caribou ecology and express community perceptions of overall herd status and could provide a valuable contribution to management decision making.  We recommend that ABEKC results become standard input into Porcupine Caribou harvest management decisions and serve as a model of integrating community based monitoring data into resource management decision making throughout the north.
Low‐Dimensional Nanostructure Ultraviolet Photodetectors
Authors: Peng Lin , Hu Linfeng , Fang Xiaosheng
Published: June 2013

Low‐dimensional (LD) nanostructures are ideal systems for constructing high‐performance photodetectors due to their tailored geometries, high surface‐area‐to‐volume ratios and rationally designed surfaces. This article provides a brief summary about recent progress on LD nanostructures based visible‐light‐blind ultraviolet photodetectors. The current challenges and an outlook on the future developments of this research field are summarized and highlighted.
Direct Correlation of the Organic Solar Cell Device Performance to the In‐Depth Distribution of Highly Ordered Polymer Domains in Polymer/Fullerene Films
Authors: Engmann Sebastian , Singh Chetan R. , Turkovic Vida , Hoppe Harald , Gobsch Gerhard
Published: June 2013

This study correlates the device performance of organic solar cells and the electronic charge transport within polymer/fullerene films, directly to the optical order of the polymer. The optical order was measured by spectroscopic ellipsometry and evaluated by our previously derived model. We were able to determine the in‐depth distribution of higher and lower ordered poly(3‐hexylthiophene) (P3HT) domains within an [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM) matrix. The over the film thickness integrated volume fraction of highly ordered P3HT domains could be directly correlated to the corresponding solar cell device performance. We are able to describe various thermally annealing conditions between room‐temperature and 200 °C.
Measurement of residence time distribution in a rotary calciner
Authors: Gao Yijie , Glasser Benjamin J. , Ierapetritou Marianthi G. , Cuitino Alberto , Muzzio Fernando J. , Beeckman Jean W. , Fassbender Natalie A. , Borghard William G.
Published: June 2013

Rotary calcination is widely used in catalyst manufacturing and many other industrial processes. In this article, the influence of operational variables and material properties on the mean residence time (MRT), hold up, and axial dispersion was investigated in a pilot plant rotary calciner. Residence time distributions (RTD) of spherical, cylindrical, and quadrilobe catalyst particles were measured and contrasted. The Saeman's model was successfully applied to predict the experimental bed depth and the MRT as particles flowed through the calciner. It was observed that increasing the feed rate did not significantly affect the MRT. Results for the different particles indicated that cylinders and quadrulobes exhibited less axial dispersion than spheres due to the decreased flowability. A reliable method was developed to provide a reasonable RTD prediction in rotary calcination systems. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4068–4076, 2013
Interindividual glucose dynamics in different frequency bands for online prediction of subcutaneous glucose concentration in type 1 diabetic subjects
Authors: Zhao Chunhui , Sun Youxian , Zhao Luping
Published: June 2013

This article investigates the interindividual variability of underlying glucose dynamics and the relative predictive power of exogenous inputs in different frequency bands (FBs) for online subcutaneous glucose prediction for subjects with type 1 diabetes mellitus. Auto‐regressive (AR) models and AR models with exogenous inputs (ARX) are developed based on two groups of ambulatory subjects and two groups of in silico subjects using different combinations of FBs. Some important modeling parameters are studied with respect to their influences on glucose prediction. Four issues are of particular interest and discussed based on the illustration results, suggesting that: (i) In different frequency bands, the underlying glucose dynamics act differently across subjects for online glucose prediction; (ii) A global AR model can be developed for one subject in some FB and then used to make online glucose predictions for other subjects in the same FB, revealing little interindividual variability; (iii) The exogenous inputs have different influences in different FBs for prediction of future subcutaneous glucose concentration; (iv) The exogenous inputs may not excite the glucose signals in some FBs, that is, the inclusion of the exogenous inputs may not result in more accurate models in comparison with standard AR model in some FBs. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4228–4240, 2013
Comorbid persistent lower respiratory symptoms and posttraumatic stress disorder 5–6 years post‐9/11 in responders enrolled in the World Trade Center Health Registry
Authors: Friedman Stephen M. , Farfel Mark R. , Maslow Carey B. , Cone James E. , Brackbill Robert M. , Stellman Steven D.
Published: June 2013

Background

Co‐occurrence of lower respiratory symptoms (LRS) and posttraumatic stress disorder (PTSD) has been increasingly recognized among responders and survivors of the World Trade Center (WTC) disaster. Information is limited on the degree which comorbidity intensifies symptoms and compromises quality of life across exposed groups.

Methods

Among responders who completed the first and second Registry surveys, measures of respiratory illness, psychological distress, and diminished quality of life were compared between responders comorbid for LRS and PTSD and responders with only LRS or PTSD.

Results

Of 14,388 responders, 40% of those with LRS and 57% of those with PTSD were comorbid. When demographic and WTC exposure‐related factors were controlled, comorbid responders compared to those with LRS alone were twice as likely to have frequent dyspnea and to have sought care for dyspnea. Compared to responders with PTSD alone, comorbid responders were 2.1 times more likely to report intense re‐experiencing of the disaster, 2.5 times more likely to express feelings of significant non‐specific psychological distress, and 1.4 times more likely to have received mental health care. Comorbid responders were approximately three times more likely to report only fair or poor general health and more than twice as likely to report being unable to perform usual activities for ≥14 of 30 days before interview.

Conclusions

Outcomes in comorbid responders were similar to or more severe than in comorbid survivors. Health care and disaster relief providers must suspect comorbid illness when evaluating responders' respiratory or mental illnesses and consider treatment for both. Am. J. Ind. Med. 56:1251–1261, 2013. © 2013 Wiley Periodicals, Inc.
Subcontractors and increased risk for work‐related diseases and absenteeism
Authors: Min Kyoung B. , Park Shin G. , Song Jae S. , Yi Kwan H. , Jang Tae W. , Min Jin Y.
Published: June 2013

Background

Despite increasing reliance on subcontracting in many economic sectors, there is little information available on occupational health and safety issues among subcontractor employees. The purpose of this study was to investigate the effect of subcontracting on self‐reported health problems and absences due to occupational accidents and sickness using a nationally representative sample from South Korea.

Methods

The data used were sampled from the second wave of the Korean Working Conditions Survey [2010]. Information on 3,282 parent firm employees and 728 subcontractor employees was obtained. For the logistic regression model, the outcomes were work‐related health problems and absenteeism. The independent variables were personal and occupational characteristics, job aspects, and working hazards.

Results

Subcontractor employees were significantly more likely to experience health problems than the employee at parent firms. In particular, subcontractors' risk of injuries and anxiety/depression increased twofold (odd ratios, OR = 2.01, 95% confidence interval, CIs, 1.24–3.26) and threefold (OR = 2.95, 95% CIs 1.52–5.73), respectively, after controlling for potential variables. In addition, subcontractor employees were three times more likely than employees at parent firms to miss work due to illness (OR = 3.56; 95% CIs 2.02–6.26). Working conditions, especially those related to job aspects and workplace exposures, attenuated these risks.

Conclusion

Subcontracting workers were found to have a higher risk of work‐related diseases and a higher absenteeism rate than parent firm workers. Our study highlights the need to protect and improve the occupational health and safety of subcontractor employees. Am. J. Ind. Med. 56:1296–1306, 2013. © 2013 Wiley Periodicals, Inc.
Elementary flux modes in a nutshell: Properties, calculation and applications
Authors: Zanghellini Jürgen , Ruckerbauer David E. , Hanscho Michael , Jungreuthmayer Christian
Published: June 2013

Elementary flux mode (EFM) analysis allows the unbiased decomposition of a metabolic network into minimal functional units, making it a powerful tool for metabolic engineering. While the use of EFM analysis (EFMA) is still limited by the size of the models it can handle, EFMA has been successfully applied to solve real‐world metabolic engineering problems. Here we provide a user‐oriented introduction to EFMA, provide examples of recent applications, analyze current research strategies to overcome the computational restrictions and give an overview over current approaches, which aim to identify and calculate only biologically relevant EFMs.
Metabolic signatures of GS‐CHO cell clones associated with butyrate treatment and culture phase transition
Authors: Carinhas Nuno , Duarte Tiago M. , Barreiro Laura C. , Carrondo Manuel J. T. , Alves Paula M. , Teixeira Ana P.
Published: June 2013

Chinese hamster ovary (CHO) cells are preferred hosts for the production of recombinant biopharmaceuticals. Efforts to optimize these bioprocesses have largely relied on empirical experience and our knowledge of cellular behavior in culture is incomplete. More recently, comprehensive investigations of metabolic network operation have started to be used to uncover traits associated with optimal growth and recombinant protein production. In this work, we used 1H‐nuclear magnetic resonance (1H‐NMR) to analyze the supernatants of glutamine‐synthetase (GS)‐CHO cell clones expressing variable amounts of an IgG4 under control and butyrate‐treated conditions. Exometabolomic data revealed accumulation of several metabolic by‐products, indicating inefficiencies at different metabolic nodes. These data were contextualized in a detailed network and the cellular fluxomes estimated through metabolic flux analysis. This approach allowed comparing metabolic activity across different clones, growth phases and culture conditions, in particular the efficiency pertaining to carbon lost to glycerol and lactate accumulation and the characteristic nitrogen metabolism involving high asparagine and serine uptake rates. Importantly, this study shows that early butyrate treatment has a marked effect on sustaining high nutrient consumption along culture time, being more pronounced during the stationary phase when extra energy generation and biosynthetic activity is fueled to increase IgG formation. Collectively, the information generated contributes to deepening our understanding of CHO cells metabolism in culture, facilitating future design of improved bioprocesses. Biotechnol. Bioeng. 2013;110: 3244–3257. © 2013 Wiley Periodicals, Inc.
Cell fate conversion by conditionally switching the signal‐transducing domain of signalobodies
Authors: Tone Yuichiro , Kawahara Masahiro , Hayashi Jun , Nagamune Teruyuki
Published: June 2013

Conditionally and strictly controlling cell fates is important for biomedical applications including cell therapies. Although previous studies have been based on regulating the expression or activation of signaling molecules, the techniques therein require improvement in terms of reducing leakiness and complexity. In this study, we propose a novel cell fate converting system using our previously developed antibody/receptor chimeras named “signalobodies” in combination with a Cre/loxP recombination system. We designed a “switch vector” where a growth signalobody gene was flanked by two loxP sites and a death signalobody gene was placed downstream of the floxed cassette. Cells transduced with the switch vector showed superior growth activity in the presence of a specific antigen. Subsequent expression of Cre induced the death signalobody, leading to conditional cell death. This technology could be applicable for other cell fate conversion systems including differentiation and migration, by using appropriate signal‐transducing domains. Biotechnol. Bioeng. 2013;110: 3219–3226. © 2013 Wiley Periodicals, Inc.
Health informatics: Introduction
Authors: Dalrymple Prudence
Published: June 2013

Editor's Summary

This special section explores informatics in the health arena through a collection of illustrative examples. The evolution of controlled vocabularies customized for nursing is described, with appreciation of the importance of nurses' notes in patient records for later retrieval and analysis. The specialized field of public health informatics is presented, offering valuable perspectives and applications geared to serve entire populations rather than individual patients. DOME, an e‐health project in Sweden, explores the effects of patients' access to their own medical records, looking at the pros, cons and implications of online availability of personal health data. Approaching pharmaceutical development as a big data challenge complemented by electronic visualization is shown to facilitate analysis of the complex interplay of numerous variables. Last, a demonstration of information technology applied to emergency healthcare simulation shows how a proposed new technology can be tried out without expensive and time‐consuming prototypes.
Public health informatics: An invitation to the field
Authors: White Mary
Published: June 2013

Editor's Summary

As we strive to manage health challenges on a population level, the demand for specialists in public health informatics is growing. The specialty differs from medical and nursing informatics by its focus on broad public health goals, policy and prevention rather than individual patient treatment. The information science component highlights topics such as information exchange, disease registries and privacy and plays a key role in healthcare reform efforts. The range of opportunities is wide, from epidemiology with an information science bent to developing web portals and smartphone apps. For information specialists interested in applying public health issues in their work or pursuing public health informatics, a variety of educational opportunities are available, ranging from webinars and single courses through post‐doctoral fellowships, sponsored by the Public Health Informatics Institute, the National Library of Medicine, the Centers for Disease Control and Prevention and others.
Empowerment or anxiety? Research on deployment of online medical E‐health services in Sweden
Authors: Huvila Isto , Myreteg Gunilla , Cajander Åsa
Published: June 2013

Editor's Summary

As early e‐health efforts progress, it is critical to step back to study their effectiveness and inform expanded implementation. The DOME project is a Swedish research initiative to examine the methods and implications of providing patients access to their own medical records and other e‐health services. The focus is on SUSTAINS, a patient access system established in 2012 in 11 European countries. Sweden's Uppsala county opened access to residents to view their electronic health records with provider notes, lab results, diagnoses and treatments in late 2012. Pre‐ and post‐implementation studies are being carried out through DOME and mixing with the public debate on benefits and drawbacks of easy online access to personal health information. Supporters and critics share concern for quality of care and data security. But advocates focus on better decisions by empowered patients, while detractors, including many healthcare providers, see patient anxiety resulting from insufficient information and lack of consultation. The DOME project is providing the opportunity to analyze all sides of expanded access to electronic health records.
Making data available: The UCLA data registry
Authors: Mandell Rachel
Published: June 2013

Editor's Summary

Since 2011 the University of California at Los Angeles (UCLA) has spearheaded an effort to make research data available through the UCLA Data Registry. The goal is to promote sharing and reuse of research data while developing recommendations for how this goal is best accomplished. A data registry compiles descriptive information about datasets, much like a library catalog. It may be more viable in terms of cost and data management than holding the actual data. UCLA's Data Registry is intended to be multidisciplinary and capture sufficient detail to enable users to identify and find the data they need. Advantages to scholars of registering data with UCLA include wider exposure, satisfying funding requirements and discovering collaboration opportunities. UCLA's Data Registry is envisioned as one tool among a collection of services forming an information infrastructure that links datasets to publications.
Optimizing the Kinetics and Thermodynamics of DNA i‐Motif Folding
Authors: Lieblein Anna Lena , Fürtig Boris , Schwalbe Harald
Published: June 2013

Under slightly acidic conditions, single cytidine‐rich DNA strands can form four‐stranded structures called i‐motifs. The stability of the i‐motif structure is based on the intercalation of hemiprotonated C–C+ base pairs. In addition, the stability of these structures is influenced by pH, temperature, salt concentration, number of cytidines per C‐rich stretch, and length of sequence; it also depends on the nucleotides in the connecting loop regions. Here, we investigated the influence of the loop nucleotides on i‐motif stability, structure, and kinetics of folding, in five structures with the same loop‐size but different adenosine and thymidine residues within the loop. The stabilities of the i‐motif structures were determined by CD melting, and structure and kinetics of folding were studied by static and time‐resolved NMR experiments.
N,N‐Diphospholylamines—A New Family of Ligands for Highly Active, Chromium‐Based, Selective Ethene Oligomerisation Catalysts
Authors: Stennett Tom E. , Hey Thomas W. , Ball Liam T. , Flynn Stephanie R. , Radcliffe James E. , McMullin Claire L. , Wingad Richard L. , Wass Duncan F.
Published: June 2013

A series of new diphosphazane (PNP) ligands that contain 2,3,4,5‐tetraethylphosphole or dibenzophosphole moieties has been synthesised. The new compounds have been screened for chromium‐catalysed, selective ethene oligomerisation by in situ combination with CrCl3(thf)3 and methylaluminoxane (MAO). The ligands derived from 2,3,4,5‐tetraethylphosphole produce highly active catalysts for ethene oligomerisation, which show excellent selectivity to C6 and C8 linear α‐olefins. Complexes of the form [Cr(CO)4L] were synthesised and studied by IR spectroscopy and single‐crystal XRD. Variable‐temperature NMR spectroscopy was used to investigate restricted PN rotation in compounds with bulky nitrogen substituents.
Creation of Ternary Multicomponent Crystals by Exploitation of Charge‐Transfer Interactions
Authors: Seaton Colin C. , Blagden Nicholas , Munshi Tasnim , Scowen Ian J.
Published: June 2013

Four new ternary crystalline molecular complexes have been synthesised from a common 3,5‐dinitrobenzoic acid (3,5‐dnda) and 4,4′‐bipyridine (bipy) pairing with a series of amino‐substituted aromatic compounds (4‐aminobenzoic acid (4‐aba), 4‐(N,N‐dimethylamino)benzoic acid (4‐dmaba), 4‐aminosalicylic acid (4‐asa) and sulfanilamide (saa)). The ternary crystals were created through the application of complementary charge transfer and hydrogen‐bonding interactions. For these systems a dimer was created through a charge‐transfer interaction between two of the components, while hydrogen bonding between the third molecule and this dimer completed the construction of the ternary co‐crystal. All resulting structures display the same acid⋅⋅⋅pyridine interaction between 3,5‐dnba and bipy. However, changing the third component causes the proton of this bond to shift from neutral OH⋅⋅⋅N to a salt form, O−⋅⋅⋅HN+, as the nature of the group hydrogen bonding to the carboxylic acid was changed. This highlights the role of the crystal environment on the level of proton transfer and the utility of ternary systems for the study of this process.
Aromaticity Effects on the Profiles of the Lowest Triplet‐State Potential‐Energy Surfaces for Rotation about the CC Bonds of Olefins with Five‐Membered Ring Substituents: An Example of the Impact of Baird’s Rule
Authors: Zhu Jun , Fogarty Heather A. , Möllerstedt Helene , Brink Maria , Ottosson Henrik
Published: June 2013

A density functional theory study on olefins with five‐membered monocyclic 4n and 4n+2 π‐electron substituents (C4H3X; X=CH+, SiH+, BH, AlH, CH2, SiH2, O, S, NH, and CH−) was performed to assess the connection between the degree of substituent (anti)aromaticity and the profile of the lowest triplet‐state (T1) potential‐energy surface (PES) for twisting about olefinic CC bonds. It exploited both Hückel’s rule on aromaticity in the closed‐shell singlet ground state (S0) and Baird’s rule on aromaticity in the lowest ππ* excited triplet state. The compounds CH2CH(C4H3X) were categorized as set A and set B olefins depending on which carbon atom (C2 or C3) of the C4H3X ring is bonded to the olefin. The degree of substituent (anti)aromaticity goes from strongly S0‐antiaromatic/T1‐aromatic (C5H4+) to strongly S0‐aromatic/T1‐ antiaromatic (C5H4−). Our hypothesis is that the shapes of the T1 PESs, as given by the energy differences between planar and perpendicularly twisted olefin structures in T1 [ΔE(T1)], smoothly follow the changes in substituent (anti)aromaticity. Indeed, correlations between ΔE(T1) and the (anti)aromaticity changes of the C4H3X groups, as measured by the zz‐tensor component of the nucleus‐independent chemical shift ΔNICS(T1;1)zz, are found both for sets A and B separately (linear fits; r2=0.949 and 0.851, respectively) and for the two sets combined (linear fit; r2=0.851). For sets A and B combined, strong correlations are also found between ΔE(T1) and the degree of S0 (anti)aromaticity as determined by NICS(S0,1)zz (sigmoidal fit; r2=0.963), as well as between the T1 energies of the planar olefins and NICS(S0,1)zz (linear fit; r2=0.939). Thus, careful tuning of substituent (anti)aromaticity allows for design of small olefins with T1 PESs suitable for adiabatic Z/E photoisomerization.
Structures and Interligand Interaction Pattern of Phosphoramidite Pd Complexes by NMR Spectroscopy: Modulations in Extended Interaction Surfaces as Stereoselection Mode of a Privileged Class of Ligands
Authors: Hartmann Evelyn , Hammer Michael M. , Gschwind Ruth M.
Published: June 2013

During the last decade, phosphoramidites have been established as a so‐called privileged class of ligands in various transition metal catalyses. However, the interactions responsible for their favorable properties have hitherto remained elusive. To address this issue, the formation trends, structural features, and interligand interaction patterns of several trans‐ and cis‐[PdLL′Cl2] complexes have been investigated by NMR spectroscopy. The energetic contribution of their interligand interactions has been measured experimentally using the supramolecular balance for transition‐metal complexes. The resulting energetics combined with an analysis of the electrostatic potential surfaces reveal that in phosphoramidites not only the aryl groups but the complete (CH)CH3Ph moieties of the amine side chains form extended quasi‐planar CH‐π and π‐π interaction surfaces. Application of the supramolecular balance has shown that modulations in these extended interaction surfaces cause energetic differences that are relevant to enantioselective catalysis. In addition, the energetics of these interligand interactions are quite independent of the actual structures of the complexes. This is shown by similar formation and aggregation trends of complexes with the same ligand but different structures. The extended quasi‐planar electrostatic interaction surface of the (CH)CH3Ph moiety explains the known pattern of successful ligand modulation and the substrate specificity of phosphoramidites. Thus, we propose modulations in these extended CH‐π and π‐π interaction areas as a refined stereoselection mode for these ligands. Based on the example of phosphoramidites, this study reveals three general features potentially applicable to various ligands in asymmetric catalysis. First, specific combinations of alkyl and aryl moieties can be used to create extended anisotropic interaction areas. Second, modulations in these interaction surfaces cause energetic differences that are relevant to catalytic applications. Third, bulky substituents with matching complementary interaction surfaces should not only be considered in terms of steric hindrance but also in terms of attractive and repulsive interactions, a feature that may often be underestimated in asymmetric catalysis.
Tetraaryl ZnII Porphyrinates Substituted at β‐Pyrrolic Positions as Sensitizers in Dye‐Sensitized Solar Cells: A Comparison with meso‐Disubstituted Push–Pull ZnII Porphyrinates
Authors: Di Carlo Gabriele , Orbelli Biroli Alessio , Pizzotti Maddalena , Tessore Francesca , Trifiletti Vanira , Ruffo Riccardo , Abbotto Alessandro , Amat Anna , De Angelis Filippo , Mussini Patrizia R.
Published: June 2013

A facile and fast approach, based on microwave‐enhanced Sonogashira coupling, has been employed to obtain in good yields both mono‐ and, for the first time, disubstituted push–pull ZnII porphyrinates bearing a variety of ethynylphenyl moieties at the β‐pyrrolic position(s). Furthermore, a comparative experimental, electrochemical, and theoretical investigation has been carried out on these β‐mono‐ or disubstituted ZnII porphyrinates and meso‐disubstituted push–pull ZnII porphyrinates. We have obtained evidence that, although the HOMO–LUMO energy gap of the meso‐substituted push–pull dyes is lower, so that charge transfer along the push–pull system therein is easier, the β‐mono‐ or disubstituted push–pull porphyrinic dyes show comparable or better efficiencies when acting as sensitizers in DSSCs. This behavior is apparently not attributable to more intense B and Q bands, but rather to more facile charge injection. This is suggested by the DFT electron distribution in a model of a β‐monosubstituted porphyrinic dye interacting with a TiO2 surface and by the positive effect of the β substitution on the incident photon‐to‐current conversion efficiency (IPCE) spectra, which show a significant intensity over a broad wavelength range (350–650 nm). In contrast, meso‐substitution produces IPCE spectra with two less intense and well‐separated peaks. The positive effect exerted by a cyanoacrylic acid group attached to the ethynylphenyl substituent has been analyzed by a photophysical and theoretical approach. This provided supporting evidence of a contribution from charge‐transfer transitions to both the B and Q bands, thus producing, through conjugation, excited electrons close to the carboxylic anchoring group. Finally, the straightforward and effective synthetic procedures developed, as well as the efficiencies observed by photoelectrochemical measurements, make the described β‐monosubstituted ZnII porphyrinates extremely promising sensitizers for use in DSSCs.
An Electrochemical Route to Quantitative Oxidation of Graphene Frameworks with Controllable C/O Ratios and Added Pseudocapacitances
Authors: Liu Fei , Xue Dongfeng
Published: June 2013

We report an electrochemical oxidation route to tunable C/O ratios in the graphene framework, creating enhanced pseudocapacitance with increasing oxygen content. Controlled surface functionalities on graphene enable a high specific capacitance and negligible electric conductivity loss. A specific capacitance of up to 279 F g−1 was achieved for the functionalized graphene at a discharge current of 1 A g−1 in 1 M H2SO4 electrolyte; this capacitance remained as high as 152 F g−1 at 100 A g−1. These values are much higher than those of non‐oxidized graphene. These excellent performances of the functionalized graphene signify the importance of precise control of the surface chemistry of graphene‐based materials.