bluuebunny/crossref_metadata_2025 huggingface dataset:
First Universities Allied for Essential Medicines (UAEM) Neglected Diseases and Innovation Symposium
Authors: Musselwhite Laura W. , Maciag Karolina , Lankowski Alex , Gretes Michael C. , Wellems Thomas E. , Tavera Gloria , Goulding Rebecca E. , Guillen Ethan
Published: January 2012

Universities Allied for Essential Medicines organized its first Neglected Diseases and Innovation Symposium to address expanding roles of public sector research institutions in innovation in research and development of biomedical technologies for treatment of diseases, particularly neglected tropical diseases. Universities and other public research institutions are increasingly integrated into the pharmaceutical innovation system. Academic entities now routinely undertake robust high-throughput screening and medicinal chemistry research programs to identify lead compounds for small molecule drugs and novel drug targets. Furthermore, product development partnerships are emerging between academic institutions, non-profit entities, and biotechnology and pharmaceutical companies to create diagnostics, therapies, and vaccines for diseases of the poor. With not for profit mission statements, open access publishing standards, open source platforms for data sharing and collaboration, and a shift in focus to more translational research, universities and other public research institutions are well-placed to accelerate development of medical technologies, particularly for neglected tropical diseases.
Kinetic structure and wave properties associated with sharp dipolarization front observed by Cluster
Authors: Huang S. Y. , Zhou M. , Deng X. H. , Yuan Z. G. , Pang Y. , Wei Q. , Su W. , Li H. M. , Wang Q. Q.
Published: January 2012

Abstract. Multiple dipolarization fronts (DFs) were observed by Cluster spacecraft in the magnetotail during a substorm. These DFs were kinetic structures, embedded in the bursty plasma flow, and moved earthward (mainly) and dawnward. Intense electric field, parallel and perpendicular currents were detected in the DF layer. These front layers were energy dissipation region (load region) where the energy of electromagnetic fields were transferred to the plasma thermal and kinetic energy. This dissipation was dominated by electrons. There were enhancements of plasma waves around the DF region: wavelet results show that wave activities around the ion cyclotron frequency in the front layer were generated by Alfvén ion cyclotron instability; whistler waves were also detected before, during and after the DFs, which are triggered by electron temperature anisotropy and coincident with enhancement of energetic electron fluxes. The observation of these waves could be important for the understanding of evolution of DF and electron energization during the substorm. We discuss the generation mechanism of the DFs and suggest that these DFs were generated in the process of transient reconnection, and then traveled toward the Earth.
Gottwald Melborune (0–1) test for chaos in a plasma
Authors: Chowdhury D. R. , Iyengar A. N. S. , Lahiri S.
Published: January 2012

Abstract. Plasma is a highly complex system exhibiting a rich variety of nonlinear dynamical phenomena. In the last two decades or so there has been a spurt of growth in exploring unconventional nonlinear dynamical methods of analysis, like chaos theory, multi fractal analysis, self organized criticality etc. of experimental data from different plasma systems. Investigation of fluctuating plasma parameters is very important since they are correlated with transport of particles, and energy. In time series analysis, it is considered of key importance to determine whether the data measured from the system is regular, deterministically chaotic, or random. The two important parameters that are in general estimated are the correlation dimension and the Lyapunov exponent. Though correlation dimension helps in determining the complexity of a system, Lyapunov exponent reveals if the system is chaotic or not and also helps in prediction to some extent. In spite of its extensive usage, estimation of Lyapunov exponent can be quite tedious and sometimes suffers from some disadvantages like reliability in the presence of noise, requirement of phase space reconstruction etc., and hence it is necessary to explore other possibilities of estimating the chaoticity of a data. In this paper we have analysed for chaoticity, the nonlinear floating potential fluctuations from a glow discharge plasma system by the 0–1 test and compared it with the results obtained from Lyapunov exponent.
Eremiomyces magnisporus (Pezizales), a new species from central Spain
Authors: Alvarado Pablo , Moreno Gabriel , Manjón Jose L. , Sánz Miguel A.
Published: January 2012

A new species of Eremiomyces is described from central Spain. Eremiomyces magnisporus is proposed to accommodate a single collection found in July 2010 in a marlgypsicolous soil at Mount Gurugú, Alcalá de Henares (Spain). The habitat and macro-/micromorphology
of the fresh material are described. Molecular analyses of ITS and nLSU DNA support the new species as closely related to but distinct from Eremiomyces echinulatus from the Kalahari desert.
New records of poaceous rusts from Pakistan
Authors: Ishaq A. , Afshan N.S. , Khalid A.N.
Published: January 2012

Puccinia stipae var. stipae and Uromyces sporobolicola are described and illustrated as new records for Pakistan. Calamagrostis pseudophragmites for Puccinia sessilis, Agrostis gigantea for P. recondita, and Dactylis glomerata
for P. striiformis are new poaceous hosts for these rust fungi from Pakistan.
Observations on gasteroid Agaricomycetes from the Brazilian Amazon rainforest
Authors: Trierveiler-Pereira Larissa , Christina Gomes-Silva Allyne , Goulart Baseia Iuri
Published: January 2012

Field trips carried out in an indigenous protected area in the states of Rondônia and Mato Grosso (Brazil) in 2009 revealed new records: Geastrum albonigrum, new from South America; and Geastrum lageniforme, Mutinus caninus, and Tulostoma exasperatum,
new from the Brazilian Amazon rainforest. Descriptions, photographs, and line drawings of the specimens are presented.
Hallenbergia (Agaricomycetes), a new corticioid genus
Authors: Dhingra G.S. , Priyanka
Published: January 2012

A new corticioid genus, Hallenbergia, and its single species, H. singularis, are described from Thimphu, Bhutan.
Aschersonia conica sp. nov. (Clavicipitaceae) from Hainan Province, China
Authors: Qiu Jun-Zhi , Su Yu-Bin , Weng Chong-Shuang , Guan Xiong
Published: January 2012

Aschersonia conica, a new anamorphic species of the family Clavicipitaceae, is described and illustrated based on specimens collected in Hainan Province, China. The entomogenous fungus is characterized by conical, whitish to pale yellow stromata that are surrounded by
a hypothallus and a wide base, wide ostiolar openings, cylindrical conidiogenous cells in a compact palisade, filiform sterile elements, and fusiform conidia.
Lichenological notes 3: Sarcogyne plicata in California
Authors: Knudsen Kerry , Kocourková Jana
Published: January 2012

Sarcogyne plicata, a California endemic, is revised and discussed. A taxon referred to in the literature as Sarcogyne “privigna,” which looks similar to S. plicata and is sympatric in California, is discussed. The name is considered invalid for the taxon.
Eutypella phaeospora, a new species on Chenopodiaceae
Authors: Fournier Jacques , Lechat Christian
Published: January 2012

The authors describe a new species of Eutypella (Diatrypaceae, Xylariales) based on several collections on Suaeda vera in France and one on Salsola vermiculata in Spain. The Libertella-like asexual state was obtained in culture.
Targeted Therapies and Predictive Markers in Epithelial Malignancies of the Gastrointestinal Tract
Authors: McIntire Maria , Redston Mark
Published: January 2012

Context.—In recent years, there has been a tremendous amount of interest in the development of targeted therapies for the treatment of human cancers. Increased understanding of the specific molecular pathways and driver mutations critical to cancer cell growth have allowed the development of these advanced therapeutics. Among these, inhibitors of the epidermal growth factor receptor and HER2/neu pathways now play a major role in the management of gastrointestinal cancers in addition to other solid malignancies. In colorectal and gastric cancers, the use of epidermal growth factor receptor inhibitors and HER2/neu inhibitors has increased the available treatment options for patients with advanced disease.

Objective.—To focus on the current targeted therapies and predictors of response in malignancies of the gastrointestinal tract.

Data Sources.—Medical literature searchable on PubMed (US National Library of Medicine) as well as older studies revealed by the literature review were used as the source of data.

Conclusion.—Gene testing of critical elements of the pathways targeted by these agents (such as KRAS mutational analysis in colorectal tumors and HER2/neu testing in gastric cancers) allows the ability to predict which patients will respond to these treatments. As the molecular profiling of tumors and our understanding of cancer genomics and epigenetic alterations continues to grow, it is expected that these personalized targeted therapies will form one of the mainstays of gastrointestinal cancer treatment.
Catholic Sensationalism and Victorian Literature
Authors: Moran Maureen
Published: January 2012

Catholic Sensationalism and Victorian Literature offers a highly original examination of Victorian sensationalism through the exploration of popular literary representations of Roman Catholicism, that exotic, corrupt religious Other which is inscribed as the implacable anti-English enemy. The book demonstrates how new understandings of cultural tensions of the period are gained through the association of Roman Catholicism with secular fears of crime, sex and violence, rather than with theological excesses and doctrinal superstitions.
The Potential of a Culturally Based Supplemental Mathematics Curriculum to Improve the Mathematics Performance of Alaska Native and Other Students
Authors: Kisker Ellen Eliason , Lipka Jerry , Adams Barbara L. , Rickard Anthony , Andrew-Ihrke Dora , Yanez Eva Evelyn , Millard Ann
Published: January 2012

A randomized controlled trial conducted in Alaska examined the efficacy of 2 second-grade modules of the reform-oriented and culturally based Math in a Cultural Context (MCC) teacher training and curriculum. The results show that the Picking Berries (representing and measuring) and Going to Egg Island (grouping and place value) modules significantly improved students' mathematics performance. The analysis also revealed that the impacts were broad based and significant for most of the subgroups of schools and students examined.
American College of Rheumatology classification criteria for Sjögren's syndrome: A data‐driven, expert consensus approach in the Sjögren's International Collaborative Clinical Alliance Cohort
Authors: Shiboski S. C. , Shiboski C. H. , Criswell L. A. , Baer A. N. , Challacombe S. , Lanfranchi H. , Schiødt M. , Umehara H. , Vivino F. , Zhao Y. , Dong Y. , Greenspan D. , Heidenreich A. M. , Helin P. , Kirkham B. , Kitagawa K. , Larkin G. , Li M. , Lietman T. , Lindegaard J. , McNamara N. , Sack K. , Shirlaw P. , Sugai S. , Vollenweider C. , Whitcher J. , Wu A. , Zhang S. , Zhang W. , Greenspan J. S. , Daniels T. E. ,   Sjögren's International Collaborative Clinical Alliance (SICCA) Research Groups
Published: January 2012

Objective

We propose new classification criteria for Sjögren's syndrome (SS), which are needed considering the emergence of biologic agents as potential treatments and their associated comorbidity. These criteria target individuals with signs/symptoms suggestive of SS.

Methods

Criteria are based on expert opinion elicited using the nominal group technique and analyses of data from the Sjögren's International Collaborative Clinical Alliance. Preliminary criteria validation included comparisons with classifications based on the American–European Consensus Group (AECG) criteria, a model‐based “gold standard” obtained from latent class analysis (LCA) of data from a range of diagnostic tests, and a comparison with cases and controls collected from sources external to the population used for criteria development.

Results

Validation results indicate high levels of sensitivity and specificity for the criteria. Case definition requires at least 2 of the following 3: 1) positive serum anti‐SSA and/or anti‐SSB or (positive rheumatoid factor and antinuclear antibody titer ≥1:320), 2) ocular staining score ≥3, or 3) presence of focal lymphocytic sialadenitis with a focus score ≥1 focus/4 mm2 in labial salivary gland biopsy samples. Observed agreement with the AECG criteria is high when these are applied using all objective tests. However, AECG classification based on allowable substitutions of symptoms for objective tests results in poor agreement with the proposed and LCA‐derived classifications.

Conclusion

These classification criteria developed from registry data collected using standardized measures are based on objective tests. Validation indicates improved classification performance relative to existing alternatives, making them more suitable for application in situations where misclassification may present health risks.
Effect of pregabalin on sleep in patients with fibromyalgia and sleep maintenance disturbance: A randomized, placebo‐controlled, 2‐way crossover polysomnography study
Authors: Roth Thomas , Lankford D. Alan , Bhadra Pritha , Whalen Ed , Resnick E. Malca
Published: January 2012

Objective

To assess the effect of pregabalin on polysomnographic (PSG) measures of sleep and patient‐rated sleep, tiredness, and pain in fibromyalgia patients.

Methods

We performed a randomized, double‐blind, placebo‐controlled, 2‐period crossover PSG study. Patients ages ≥18 years with fibromyalgia satisfied subjective and objective sleep disturbance criteria prior to randomization. Eligible patients were randomized (1:1) to pregabalin (300–450 mg/day) or placebo for crossover period 1, and vice versa for period 2. Each crossover period comprised a dose‐adjustment and dose‐maintenance phase, with a 2‐week taper/washout between periods. In‐laboratory PSGs were recorded during 2 consecutive nights at screening and at the end of each crossover period. The primary end point was the difference in sleep maintenance defined by PSG‐recorded wake after sleep onset (WASO; minutes) between 4 weeks of treatment with pregabalin and with placebo. Other PSG measures; patient‐rated sleep, tiredness, and pain; and tolerability were assessed.

Results

Of 119 patients randomized (103 women [86.6%], mean age 48.4 years), 102 (85.7%) completed both periods. Patients treated with pregabalin showed a reduction in PSG‐determined WASO versus treatment with placebo (week 4 difference: −19.2 minutes [95% confidence interval (95% CI) −26.7, −11.6]; P < 0.0001). Pain score improved (decreased) with pregabalin versus placebo treatment at all 4 weeks (week 4 difference: −0.52 [95% CI −0.90, −0.14]; P = 0.0084). Modest (ρ = <0.3) but significant correlations were found between PSG sleep assessments and ratings of pain and sleep quality. Frequently reported all‐causality adverse events (pregabalin versus placebo) were: dizziness (30.4% versus 9.9%), somnolence (20.5% versus 4.5%), and headache (8.9% versus 8.1%).

Conclusion

Patients with fibromyalgia treated with pregabalin had statistically significant and meaningful improvements in sleep, as assessed by PSG. Patients with fibromyalgia also reported decreased daily pain. Pregabalin was well tolerated.
A Systematic Approach to the Design Optimization of Light‐Absorbing Indenofluorene Polymers for Organic Photovoltaics
Authors: Kirkpatrick James , Nielsen Christian B. , Zhang Weimin , Bronstein Hugo , Ashraf R. Shahid , Heeney Martin , McCulloch Iain
Published: January 2012

The synthesis and optimization of new photovoltaic donor polymers is a time‐consuming process. Computer‐based molecular simulations can narrow the scope of materials choice to the most promising ones, by identifying materials with desirable energy levels and absorption energies. In this paper, such a retrospective analysis is presented of a series of fused aromatic push–pull copolymers. It is demonstrated that molecular calculations do indeed provide good estimates of the absorption energies measured by UV–vis spectroscopy and of the ionization potentials measured by photoelectron spectroscopy in air. Comparing measured photovoltaic performance of the polymer series to the trend in efficiencies predicted by computation confirms the validity of this approach.
Quantitative imaging of cartilage and bone morphology, reactive oxygen species, and vascularization in a rodent model of osteoarthritis
Authors: Xie LiQin , Lin Angela S. P. , Kundu Kousik , Levenston Marc E. , Murthy Niren , Guldberg Robert E.
Published: January 2012

Objective

To assess temporal changes in cartilage and bone morphology, reactive oxygen species (ROS), and vascularization in rats with monosodium iodoacetate (MIA)–induced osteoarthritis (OA), using advanced imaging methodologies.

Methods

Right knees of 8‐week‐old male Wistar rats were injected with 1 mg MIA in 50 μl saline and left knees were injected with 50 μl saline as controls. After 1, 2, and 3 weeks (n = 5 at each time point), changes in cartilage morphology and composition were quantified using equilibrium partitioning of an ionic contrast agent microfocal computed tomography (μCT), and changes in subchondral and trabecular bone were assessed by standard μCT. ROS were characterized by in vivo fluorescence imaging at 1, 11, and 21 days (n = 5 at each time point). Three weeks following fluorescence imaging, alterations in knee joint vascularity were quantified with μCT after perfusion of a vascular contrast agent.

Results

Femoral cartilage volume, thickness, and proteoglycan content were significantly decreased in MIA‐injected knees compared with control knees, accompanied by loss of trabecular bone and erosion of subchondral bone surface. ROS quantities were significantly increased 1 day after MIA injection and subsequently decreased gradually, having returned to normal by 21 days. Vascularity in whole knees and distal femora was significantly increased at 21 days after MIA injection.

Conclusion

Contrast‐enhanced μCT and fluorescence imaging were combined to characterize articular cartilage, subchondral bone, vascularization, and ROS, providing unprecedented 3‐dimensional joint imaging and quantification in multiple tissues during OA progression. These advanced imaging techniques have the potential to become standardized methods for comprehensive evaluation of articular joint degeneration and evaluation of therapeutic efficacy.
Superior molecularly altered influenza virus hemagglutinin peptide 308–317 inhibits collagen‐induced arthritis by inducing CD4+ Treg cell expansion
Authors: Sun Jian , Li Ru , Guo Jianping , Jia Yuan , Sun Xiaolin , Liu Yanying , Li Yingni , Huang Fangping , Lu Liwei , Li Zhanguo
Published: January 2012

Objective

To investigate the inhibitory effect and possible mechanism of a novel influenza virus hemagglutinin 308–317 peptide (altered HA308–317 peptide) in collagen‐induced arthritis (CIA).

Methods

CIA was induced in DBA/1 mice by immunization with type II collagen (CII). Altered HA308–317 peptide, wild HA308–317 peptide, wild CII263–272 peptide, and irrelevant peptide were administered intranasally beginning at arthritis onset. Clinical and histologic scores were assessed, and cytokine levels were determined in the serum or in supernatants from splenocytes. Characteristics of T cell subsets in response to different peptides were analyzed both in vivo and in vitro.

Results

Intranasal administration of wild CII263–272 peptide, wild HA308–317 peptide, or altered HA308–317 peptide could significantly ameliorate CIA, but altered HA308–317 peptide showed greater therapeutic effects than wild CII263–272 peptide and wild HA308–317 peptide. The effect of altered HA308–317 peptide was associated with a substantial decrease in production of interleukin‐17 (IL‐17) and interferon‐γ (IFNγ) and with a marked increase in production of IL‐10 and transforming growth factor β, both in serum and in supernatants from splenocytes treated with altered HA308–317 peptide. Both the number and function of CD4+ Treg cells were significantly up‐regulated by altered HA308–317 peptide, with a decreased induction of Th1 cells (CD4+IFNγ+) and Th17 cells (CD4+IL‐17+). Adoptive transfer of CD4+CD25+ T cells from altered HA308–317 peptide–treated mice resulted in greater suppressive capacity in ameliorating CIA severity than did adoptive transfer of CD4+CD25+ T cells from wild HA308–317 peptide–treated, wild CII263–272 peptide–treated, or irrelevant peptide–treated mice.

Conclusion

Intranasal administration of altered HA308–317 peptide potently suppressed the severity of CIA by increasing the number and function of CD4+ Treg cells, suggesting that altered HA308–317 peptide might be a promising candidate for treatment of rheumatoid arthritis.
Item difficulty in the evaluation of computer‐based instruction: An example from neuroanatomy
Authors: Chariker Julia H. , Naaz Farah , Pani John R.
Published: January 2012

This article reports large item effects in a study of computer‐based learning of neuroanatomy. Outcome measures of the efficiency of learning, transfer of learning, and generalization of knowledge diverged by a wide margin across test items, with certain sets of items emerging as particularly difficult to master. In addition, the outcomes of comparisons between instructional methods changed with the difficulty of the items to be learned. More challenging items better differentiated between instructional methods. This set of results is important for two reasons. First, it suggests that instruction may be more efficient if sets of consistently difficult items are the targets of instructional methods particularly suited to them. Second, there is wide variation in the published literature regarding the outcomes of empirical evaluations of computer‐based instruction. As a consequence, many questions arise as to the factors that may affect such evaluations. The present article demonstrates that the level of challenge in the material that is presented to learners is an important factor to consider in the evaluation of a computer‐based instructional system. Anat Sci Educ. © 2011 American Association of Anatomists.
An evaluation of cellulose saccharification and fermentation with an engineered Saccharomyces cerevisiae capable of cellobiose and xylose utilization
Authors: Fox Jerome M. , Levine Seth E. , Blanch Harvey W. , Clark Douglas S.
Published: January 2012

Commercial‐scale cellulosic ethanol production has been hindered by high costs associated with cellulose‐to‐glucose conversion and hexose and pentose co‐fermentation. Simultaneous saccharification and fermentation (SSF) with a yeast strain capable of xylose and cellobiose co‐utilization has been proposed as a possible avenue to reduce these costs. The recently developed DA24‐16 strain of Saccharomyces cerevisiae incorporates a xylose assimilation pathway and a cellodextrin transporter (CDT) that permit rapid growth on xylose and cellobiose. In the current work, a mechanistic kinetic model of cellulase‐catalyzed hydrolysis of cellulose was combined with a multi‐substrate model of microbial growth to investigate the ability of DA24‐16 and improved cellobiose‐consuming strains to obviate the need for exogenously added β‐glucosidase and to assess the impact of cellobiose utilization on SSF and separate hydrolysis and fermentation (SHF). Results indicate that improved CDT‐containing strains capable of growing on cellobiose as rapidly as on glucose produced ethanol nearly as rapidly as non‐CDT‐containing yeast supplemented with β‐glucosidase. In producing 75 g/L ethanol, SSF with any strain did not result in shorter residence times than SHF with a 12 h saccharification step. Strains with improved cellobiose utilization are therefore unlikely to allow higher titers to be reached more quickly in SSF than in SHF.

See accompanying Commentary by Jin and Cate DOI: 10.1002/biot.201100489
Scoring system to predict the risk of surgical-site infection after colorectal resection2
Authors: Gervaz P , Bandiera-Clerc C , Buchs N C , Eisenring M-C , Troillet N , Perneger T , Harbarth S
Published: January 2012

Background

There is no dedicated scoring system for predicting the risk of surgical-site infection (SSI) after resection of the colon or rectum. Generic scores, such as the National Nosocomial Infections Surveillance index, are not used by colorectal surgeons.

Methods

Multivariable analysis of risk factors for SSI was performed in patients who underwent resection of the colon or rectum, and were followed during the first month after operation. A logistic regression model was used to identify determinant variables and construct a predictive score.

Results

There were 534 patients of whom 114 (21·3 per cent) developed SSI. In multivariable analysis, four parameters correlated with an increased risk of SSI: obesity (odds ratio (OR) 2·93, 95 per cent confidence interval 1·71 to 5·03), contamination class 3–4 (OR 3·33, 2·08 to 5·32), American Society of Anesthesiologists grade III–IV (OR 1·82, 1·14 to 2·90) and open surgery (OR 2·22, 1·01 to 4·88). Each of these contributed 1 point to the risk score. The observed risk of SSI was 5 per cent for a score of 0, 12·0 per cent for a score of 1 point, 18·7 per cent for 2 points, 44 per cent for 3 points and 68 per cent for 4 points. The area under the receiver operating characteristic curve for the score was 0·729.

Conclusion

A simple clinical score based on four preoperative variables was clinically useful in predicting the risk of SSI in patients undergoing colorectal surgery.
Observing the influence of affective states on parent–child interactions and in‐store purchase decisions
Authors: Nadeau John , Bradley Matthew
Published: January 2012

This study examines the relationship of parent's and children's affective states on in‐store family purchase decisions. In particular, the study is interested in determining whether the affective state is related to the interaction strategy selected and their actual role in the decision. The implementation of this study using observational methodology within the store environment makes this contribution valuable and unique. Further, a major contribution of this study is the demonstration that the child's prepurchase affective state is a salient antecedent to purchase decisions of the parent–child dyad.

Copyright © 2012 John Wiley & Sons, Ltd.
Synthesis, Crystal Structure and Gas Adsorption Properties of Four Pd–Zn Coordination Polymers Containing Potential Catalytic Active Sites
Authors: Miyazaki Yuhei , Kataoka Yusuke , Kawamoto Tatsuya , Mori Wasuke
Published: January 2012

New Pd–Zn coordination polymers incorporating a PdII complex were prepared in one‐pot reactions from isonicotinic acid, K2[PdCl4] and ZnII ions in water. Depending on the reaction conditions, four new types of Pd–Zn coordination polymers (one‐, two‐ and three‐dimensional networks), which consist of a PdII complex coordinated by two or four isonicotinic acids, were formed. The structures were determined by single‐crystal X‐ray diffraction, X‐ray powder diffraction, TGA and CHN elemental analysis. Interestingly, for the N2 and H2 gas adsorption measurements at 77 K and 760 Torr, two of the new Pd–Zn coordination polymers show selective H2 gas adsorption performances. Therefore, these complexes may be potentially attractive materials for heterogeneous catalysts or for H2 gas separation for hydrogenation reactions.
Spin‐Crossover Behaviors Based on Intermolecular Interactions for Cobalt(II) Complexes with Long Alkyl Chains
Authors: Komatsu Yasuka , Kato Kazuya , Yamamoto Yuuki , Kamihata Hidenobu , Lee Young Hoon , Fuyuhiro Akira , Kawata Satoshi , Hayami Shinya
Published: January 2012

A new family of terpyridine (terpy)‐based spin‐crossover cobalt(II) complexes, [Co(HO–Cn‐terpy)2](BF4)2 [n = 6 (1), 8 (2), 10 (3), 12 (4), and 14 (5)] that possesses a hydroxy‐appended long alkyl chain present on the terpyridine skeleton was synthesized and characterized by X‐ray structure analysis and temperature‐dependent magnetic susceptibility. In the solid state, the compounds 1·H2O, 4, and 5·H2O were crystallized in the triclinic P$\bar {1}$ space groups, and their central cobalt(II) ion was coordinated by six nitrogen atoms from two terpyridine units to form a pseudo‐octahedral symmetry. In the case of 1·H2O, one of the terminal hydroxy substituents was involved in hydrogen bonding with a water molecule. For compound 4, on the other hand, both of terminal hydroxy units form a short intermolecular contact with the BF4– anion. The temperature‐dependent magnetic behavior of 1 and 2 showed a gradual spin crossover, whereas 3 and 4 revealed an abrupt spin transition with a wide thermal hysteresis loop (ΔT = 21 K, T1/2↑ = 316 K, and T1/2↓ = 295 K for 3; ΔT = 40 K, T1/2↑ = 348 K, and T1/2↓ = 308 K for 4), and 5 exhibits “reverse spin transition” (ΔT = 17 K, T1/2↑ = 214 K, andT1/2↓ = 231 K). It has been suggested that compounds 3 and 4 form stronger intermolecular interactions through the fastener effect and hydrogen bonding than 1 and 2. On the basis of a comparison of the resulting magnetic behaviors of the compounds that contain long alkyl chains with a hydroxy group at the end, it was found that the long alkyl chains with the terminal hydroxy group could induce stronger intermolecular interactions between molecules. However, there are many short contacts through the counteranions for 5·H2O, but thermal motion of the long alkyl chains can be expected. Compound 5 exhibits “reverse spin transition” induced by a structural phase transition.
L‐Proline‐Derived Dendritic Tetrakis(diperoxotungsto)phosphate: Synthesis and Enantioselective Oxidation Catalysis
Authors: Jahier Claire , Nlate Sylvain
Published: January 2012

As a part of our ongoing research towards the synthesis of chiral dendritic polyoxometalate (DENDRI‐POM) hybrids that are able to catalyze oxidation of organic substrates with high selectivity and enantioselectivity, we have prepared an enantiopure DENDRI‐POM salt by coupling a well‐defined L‐proline‐derived tetrapropylammonium dendron with the tetrakis(diperoxotungsto)phosphate [PO4{WO(O2)2}4]3–. This DENDRI‐POM hybrid was characterized by infrared, NMR spectroscopy, polarimetry, and elemental analysis. The data obtained are consistent with the structure in which the trianionic POM is surrounded by three L‐proline‐based dendrons. This DENDRI‐POM oxidized sulfides with moderate activity and very low enantioselectivities (up to 4 %), whereas alkenes were efficiently oxidized with up to 37 % enantiomeric excess (ee), and good yields. Although these ee values are still not satisfactory for practical asymmetric synthesis, 37 % ee represents the best enantioselectivity reported to date in the oxidation of organic substrate with chiral POM hybrids. Studies of temperature, solvent, and catalyst loading effects on the outcome of the reaction indicate that the ee is sensitive to the nature of the solvent. Moreover, the catalyst was recovered at low temperature and reused while retaining its activity and enantioselectivity. These results contrast and complement our reported results in which DENDRI‐POMs based on phenylethylamine‐derived ligands efficiently oxidize sulfides with up to 14 % ee, whereas alkenes were not oxidized with this family of chiral POM compounds. Thus, the influence of the nature of the chiral countercation on the POM properties is again observed.
Human complement factor 3 polymorphism determination by capillary electrophoresis of serum
Authors: De Witte Evy , Speeckaert Marijn M. , Van De Moortel Lot , Lecocq Elke , Delanghe Joris R.
Published: January 2012

Variability of complement factor 3 (C3) mobility in serum protein electrophoresis was investigated. We found that the migration time of C3 can be reproducibly determined (beween‐run CV=0.76%) using clinical capillary electrophoresis (CE) equipment (the Capillarys™ 2 system, Sebia). Moreover, we found a significant difference (p<0.001) in migration times of the major C3 phenotypes FF (fast‐fast), FS (fast‐slow) and SS (slow‐slow). Glycosylation did not significantly affect test results. This is the first report on the migration time of C3 phenotypes on a clinical CE instrument. The presented method allows faster data than agarose‐electrophoresis or genotyping. Moreover, reference ranges for serum C3 concentration depend on C3 phenotype, which allows a better tailored clinical interpretation of C3 concentrations.
Topographic forcing of flow partition and flow structures at river bifurcations
Authors: Miori Stefano , Hardy Richard J. , Lane S. N.
Published: January 2012

This paper presents the predicted flow dynamics from the application of a Reynolds‐averaged Navier–Stokes model to a series of bifurcation geometries with morphologies measured during previous flume experiments. The topography of the bifurcations consists of either plane or bedform‐dominated beds which may or may not possess discordance between the two bifurcation distributaries. Numerical predictions are compared with experimental results to assess the ability of the numerical model to reproduce the division of flow into the bifurcation distributaries. The hydrodynamic model predicts: (1) diverting fluxes in the upstream channel which direct water into the distributaries; (2) super‐elevation of the free surface induced at the bifurcation edge by pressure differences; and (3) counter‐rotating secondary circulation cells which develop upstream of the apex of the bifurcation and move into the downstream channels, with water converging at the surface and diverging at the bed. When bedforms are not present, weak transversal fluxes characterize the upstream channel for almost its entire length, associated with clearly distinguishable secondary circulation cells, although these may be under‐estimated by the turbulence model used in the solution. In the bedform dominated case, the same hydrodynamic conditions were not observed, with the bifurcation influence restricted and depth scale secondary circulation cells not forming. The results also demonstrate the dominant effect bed discordance has upon flow division between the two distributaries. Finally, results indicate that in bedform dominated rivers. Consequently, we suggest that sand‐bed river bifurcations are more likely to have an influence that extends much further upstream and have a greater impact upon water distribution. This may contribute to observed morphological differences between sand‐bedded and gravel‐bedded braided river networks. Copyright © 2012 John Wiley & Sons, Ltd.
Local moving least square‐one‐dimensional integrated radial basis function networks technique for incompressible viscous flows
Authors: Ngo‐Cong D. , Mai‐Duy N. , Karunasena W. , Tran‐Cong T.
Published: January 2012

This paper presents a local moving least square‐one‐dimensional integrated radial basis function networks method for solving incompressible viscous flow problems using stream function‐vorticity formulation. In this method, the partition of unity method is employed as a framework to incorporate the moving least square and one‐dimensional integrated radial basis function networks techniques. The major advantages of the proposed method include the following: (i) a banded sparse system matrix which helps reduce the computational cost; (ii) the Kronecker‐δproperty of the constructed shape function which helps impose the essential boundary condition in an exact manner; and (iii) high accuracy and fast convergence rate owing to the use of integration instead of conventional differentiation to construct the local radial basis function approximations. Several examples including two‐dimensional (2D) Poisson problems, lid‐driven cavity flow and flow past a circular cylinder are considered, and the present results are compared with the exact solutions and numerical results from other methods in the literature to demonstrate the attractiveness of the proposed method. Copyright © 2012 John Wiley & Sons, Ltd.
Non‐destructive evaluation of ripening and quality traits in apples using a multiparametric fluorescence sensor
Authors: Betemps Débora L , Fachinello José Carlos , Galarça Simone P , Portela Nicácia M , Remorini Damiano , Massai Rossano , Agati Giovanni
Published: January 2012

BACKGROUND: The detection of pigments and colourless flavonoids in apples can provide a useful indication of fruit quality. Optical methods are preferable because they are fast and non‐destructive. In this study, a fluorescence‐based portable sensor was used in order to non‐invasively determine the content of chlorophylls, anthocyanins and flavonols in Fuji, Granny Smith and Golden Delicious apple cultivars. The aim was to define new non‐destructive optical indices of apple quality.

RESULTS: The anthocyanin index (ANTH) in Fuji was higher in the sunny (i.e. sun‐exposed) side of the fruit compared to the shady side. For all cultivars, the flavonol index (FLAV) was higher in the sunny side compared with the shady side. The chlorophyll index (CHL) for the shady sides of Granny Smith and Golden Delicious was significantly higher than for the sunny sides. Fine linear regressions were found between the ANTH, FLAV and CHL indices and the actual anthocyanin, flavonol and chlorophyll concentrations, respectively, which were determined destructively on the apple peel extracts. A negative correlation was found between the apple sugar content and the chlorophyll fluorescence in the far‐red spectral band.

CONCLUSION: Our results indicate that a single multiparametric fluorescence‐based sensor can provide valuable non‐destructive markers of ripening and quality in apples. Copyright © 2012 Society of Chemical Industry
Combining stir‐bar sorptive extraction and large volume injection‐gas chromatography‐mass spectrometry for the determination of benzotriazole UV stabilizers in wastewater matrices
Authors: Carpinteiro Inma , Ramil Maria , Rodríguez Isaac , Nogueira José Manuel F.
Published: January 2012

Stir‐bar sorptive extraction and liquid desorption followed by large volume injection‐gas chromatography coupled to mass spectrometry under selected ion monitoring mode acquisition (SBSE‐LD/LVI‐GC‐MS(SIM)) was applied for the determination of six benzotriazole UV stabilizers (Tinuvin P, Allyl‐bzt, Tinuvin 320, Tinuvin 326, Tinuvin 327 and Tinuvin 328) in wastewater matrices. Parameters affecting the performance of extraction and desorption steps were thoroughly evaluated using uni‐ and multivariate optimization strategies, based on the use of experimental factorial designs. Assays performed with stir bars, coated with 24 μL of polydimethylsiloxane, on 25 mL of ultra‐pure water samples spiked at the 0.5 ng/mL level, yielded recoveries ranging from 47.9±1.4% (Tinuvin P) to 103.1±3.6% (Tinuvin 326), under optimized experimental conditions. When applied to complex matrices (e.g. wastewater), the methodology showed also excellent linear dynamic ranges (0.02–10.00 ng/mL) for the six benzotriazole UV stabilizers studied with correlation coefficients higher than 0.9970, limits of quantification in between 0.004 and 0.015 ng/mL, suitable repeatability (RSD<12.7%) and reproducibility (RSD<4.5%). The application of the proposed methodology to urban sewage waters from Spain and Portugal wastewater plants revealed the presence of low contents of some benzotriazole UV stabilizers.
Fit‐for‐purpose in veterinary drug residue analysis: Development and validation of an LC‐MS/MS method for the screening of thirty illicit drugs in bovine urine
Authors: Leporati Marta , Capra Pierluigi , Brizio Paola , Ciccotelli Valentina , Abete Maria Cesarina , Vincenti Marco
Published: January 2012

A selective and sensitive method for screening 31 analytes (nine corticosteroids, eight β‐agonists, seven anabolic steroids, six promazines and zeranol) in bovine urine was validated according to 2002/657/EC guidelines. Upon optimization of sample treatment conditions, the extraction was performed by diethylether at pH 9, after deconjugation. Extraction yields (R%) proved higher than 70% for 19 analytes, 50<R%<70 for 5 analytes, lower than 50% but reproducible for the remaining six analytes. The analyses were carried out using HPLC‐ESI‐MS/MS. The method sensitivity proved high enough to largely exceed the CCβ requirements of the Italian residue detection plan, ranging from 1 to 3 ng/mL (20 ng/mL for promazines). The present method allowed the simultaneous analysis of most drugs for which the European legislation prescribes official controls. Its practical applicability was verified on 494 real samples as an alternative to the traditional screening protocols based on multiple immunometric analysis, demonstrating high efficiency and comprehensive investigation capacity, allowing epidemiological assessment of the current trends in cattle breeding drug abuse. Among non‐compliant results, nine borderline cases of growth‐promoters illegal treatments, making use of long‐term low‐dosage administrations and typically yielding urine residues below the cut‐off value for immunochemical methods, were detected by using the present LC‐MS/MS method.
Investigation of brush‐type chiral stationary phases based on O,O′‐diaroyl tartardiamide and O,O′‐bis‐(arylcarbamoyl) tartardiamide
Authors: Wu Haibo , Ji Shuying , Yang Bing , Yu Hui , Jin Yu , Ke Yanxiong , Liang Xinmiao
Published: January 2012

Four chiral organosilanes based on O,O′‐dibenzoyl tartardiamide, O,O′‐bis‐(3,5‐dimethylbenzoyl) tartardiamide, O,O′‐bis‐(phenylcarbamoyl) tartardiamide and O,O′‐bis‐[(3,5‐dimethylphenyl)carbamoyl] tartardiamide were synthesized and immobilized on silica to afford corresponding brush‐type chiral stationary phases (CSPs) with well‐defined structures. Using 54 compounds containing a wide variety of structures as analytes, the enantioselectivities of the four CSPs were evaluated under normal‐phase modes. 3,5‐Dimethyl substituent in the aryl group was found to significantly affect the enantioselectivity of CSPs containing aryl ester moieties. Aryl carbamate moieties in CSPs were observed more beneficial for enantioseparation than aryl ester moieties. The additional hydrogen‐bond donors (NH) present in the carbamate groups contributed greatly to the enantioselectivity of CSPs, which is contrary to the results that have been found in network‐polymeric CSPs.
Materials and Corrosion 1/2012
Authors: Yang Z.‐G. , Gong Y. , Yuan J.‐Z.
Published: January 2012

Cover: Hydrogen blistering, which was induced by the interaction of galvanic corrosion and crevice corrosion within the 0.5mm gap between titanium tube and carbon steel tube sheet, occurred at 35∼40°C on the outside wall of the tube used in the RCW (recirculating cooling water) heat exchanger of Qinshan Nuclear Power Plant in China. Afterwards, the tube wall was bulged inwards to the inside wall, and then localizedly thinned by oriented eddy erosion from the seawater containing sediment particles inside the tube until being ruptured.

More detailed information can be found in: Z.‐G. Yang, Y. Gong, J.‐Z. Yuan, Failure analysis of leakage on titanium tubes within heat exchangers in a nuclear power plant. Part I: Electrochemical corrosion, Materials and Corrosion 2012, 63, page 7.
Clinical application of pharmacokinetic analysis as a biomarker of solitary pulmonary nodules: Dynamic contrast‐enhanced MR imaging
Authors: Mamata Hatsuho , Tokuda Junichi , Gill Ritu R. , Padera Robert F. , Lenkinski Robert E. , Sugarbaker David J. , Butler James P. , Hatabu Hiroto
Published: January 2012

The purpose of this study is to evaluate perfusion indices and pharmacokinetic parameters in solitary pulmonary nodules (SPNs). Thirty patients of 34 enrolled with SPNs (15–30 mm) were evaluated in this study. T1 and T2‐weighted structural images and 2D turbo FLASH perfusion images were acquired with shallow free breathing. B‐spline nonrigid image registration and optimization by χ2 test against pharmacokinetic model curve were performed on dynamic contrast‐enhanced MRI. This allowed voxel‐by‐voxel calculation of kep, the rate constant for tracer transport to and from plasma and the extravascular extracellular space. Mean transit time, time‐to‐peak, initial slope, and maximum enhancement (Emax) were calculated from time–intensity curves fitted to a gamma variate function. After blinded data analysis, correlation with tissue histology from surgical resection or biopsy samples was performed. Histologic evaluation revealed 25 malignant and five benign SPNs. All benign SPNs had kep < 1.0 min−1. Nineteen of 25 (76%) malignant SPNs showed kep > 1.0 min−1. Sensitivity to diagnose malignant SPNs at a cutoff of kep = 1.0 min−1 was 76%, specificity was 100%, positive predictive value was 100%, negative predictive value was 45%, and accuracy was 80%. Of all indices studied, kep was the most significant in differentiating malignant from benign SPNs. Magn Reson Med, 2012. © 2012 Wiley Periodicals, Inc.
Isotropic submillimeter fMRI in the human brain at 7 T: Combining reduced field‐of‐view imaging and partially parallel acquisitions
Authors: Heidemann Robin M. , Ivanov Dimo , Trampel Robert , Fasano Fabrizio , Meyer Heiko , Pfeuffer Josef , Turner Robert
Published: January 2012

Echo‐planar imaging is the most widely used imaging sequence for functional magnetic resonance imaging (fMRI) due to its fast acquisition. However, it is prone to local distortions, image blurring, and signal voids. As these effects scale with echo train length and field strength, it is essential for high‐resolution echo‐planar imaging at ultrahigh field to address these problems. Partially parallel acquisition methods can be used to improve the image quality of echo‐planar imaging. However, partially parallel acquisition can be affected by aliasing artifacts and noise enhancement. Another way to shorten the echo train length is to reduce the field‐of‐view (FOV) while maintaining the same spatial resolution. However, to achieve significant acceleration, the resulting FOV becomes very small. Another problem occurs when FOV selection is incomplete such that there is remaining signal aliased from the region outside the reduced FOV. In this article, a novel approach, a combination of reduced FOV imaging with partially parallel acquisition, is presented. This approach can address the problems described above of each individual method, enabling high‐quality single‐shot echo‐planar imaging acquisition, with submillimeter isotropic resolution and good signal‐to‐noise ratio, for fMRI at ultrahigh field strength. This is demonstrated in fMRI of human brain at 7T with an isotropic resolution of 650 μm. Magn Reson Med, 2012. © 2012 Wiley Periodicals, Inc.