bluuebunny/crossref_metadata_2025_split huggingface dataset:
The impact of basis set superposition error on the structure of ππ dimers
Authors: Vijay Dolly , Sakurai Hidehiro , Sastry G. Narahari 
Published: March 2010

AbstractThe effect of basis set superposition error (BSSE) on the structure and energy of benzene, naphthalene, corannulene, and sumanene dimer has been analyzed. MP2 method was chosen and the effect is estimated using 6‐31G, 6‐31G(d), 6‐311+G(d), cc‐pVDZ, and cc‐pVTZ basis sets. The model calculations on benzene dimer indicate that the impact of BSSE on the equilibrium geometry of π‐stacked dimers appears to be quite significant. Calculations on larger molecular dimers such as the dimers of naphthalene, corannulene, and sumanene are also studied. The practical implication of the current observation on modeling the macromolecular structure is discussed. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Exploring concerted effects of base pairing and stacking on the excited‐state nature of DNA oligonucleotides by DFT and TD‐DFT studies
Authors: Ai Yue‐Jie , Cui Gang‐Long , Fang Qiu , Fang Wei‐Hai , Luo Yi 
Published: March 2010

AbstractWe have taken (dA)5, (dT)5, and (dA)5·(dT)5 as model systems to study concerted effects of base pairing and stacking on excited‐state nature of DNA oligonucleotides using density functional theory (DFT) and time dependent DFT methods. The spectroscopic states are determined to be of a partial A → A charge‐transfer nature in the A·T oligonucleotides. The T → T charge‐transfer transitions produce dark states, which are hidden in the energy region of the steady‐state absorption spectra. This is different from the previous assignment that the T → T charge‐transfer transition is responsible for a shoulder at the red side of the first strong absorption band. The A → T charge‐transfer states were predicted to have relatively high energies in the A·T oligonucleotides. The present calculations predict that the T → A charge‐transfer states are not involved in the spectra and excited‐state dynamics of the A·T oligonucleotides. In addition, the influence of base pairing and stacking on the nature of the 1nπ* and 1ππ* states are discussed in detail. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Perturbations produced by electrospray ionization mass spectrometry in the speciation of aluminium(III)/1,6‐dimethyl‐4‐hydroxy‐3‐pyridinecarboxylate aqueous solutions
Authors: Di Marco Valerio B. , Raveane Luca , Dean Annalisa , Traldi Pietro 
Published: March 2010

AbstractElectrospray ionization mass spectrometry (ESI‐MS) is very often employed to study metal/ligand equilibria in aqueous solution. However, the ionization process can introduce perturbations which affect the speciation results in an unpredictable way. It is necessary to identify these perturbations in order to correctly interpret the ESI‐MS speciation results.Aluminium(III)/1,6‐dimethyl‐4‐hydroxy‐3‐pyridinecarboxylate (DQ716) aqueous solutions at various pH were analysed by ESI‐MS, and speciation results were compared with those obtained by equilibrium techniques. Differences observed were both qualitative and quantitative. The ESI‐MS spectral changes due to different settings of the following instrumental parameters were analyzed: the solution flow rate (FS), the nebulizer gas flow rate (FG), the potential applied at the entrance capillary (EC), and the temperature of the drying gas (TG). The effects produced by FS and EC on the spectra strongly suggest the key role of surface activity in determining the relative fraction of the ions reaching the detector. The experimental effects of FS and TG were interpreted considering the presence of at least two reactions in the gas phase and a dimerization occurring in the droplets.These perturbations cannot be generalized because they appear to be chemical system‐related and instrument‐dependent. Therefore, the identification of perturbations is a required task for any metal‐ligand equilibrium study performed by ESI‐MS. Our results indicate that perturbations can be identified by evaluating the effects produced in the spectra by a change of instrumental parameters. Copyright © 2010 John Wiley & Sons, Ltd.
Probing deamidation in therapeutic immunoglobulin gamma (IgG1) by ‘bottom‐up’ mass spectrometry with electron transfer dissociation
Authors: Mukherjee Raju , Adhikary Laxmi , Khedkar Anand , Iyer Harish 
Published: March 2010

AbstractAspartic acid formed by nonenzymatic deamidation of asparagine often isomerizes to isoaspartic acid through a succinimide intermediate. Accumulation of isoaspartic acid initiates aggregation and degradation in proteins. Deamidation at the antigen‐binding region reduces the efficacy and also upregulates immunogenicity of monoclonal antibodies. We report an improved ‘bottom‐up’ tandem mass spectrometric method to detect and decipher the position of isoaspartate formation in therapeutic immunoglobulin gamma in a single chromatographic run. Differentiation between aspartate and isoaspartate residues through collision‐induced tandem mass spectrometry is formidable due to their identical mass. Signature backbone cleavage ions, cn + 57 and zl–n − 57, produced upon radical‐mediated fragmentation, were used to delineate the site of isomerization. It is more conclusive than monitoring the relative peak intensity and the decrease in hydrophobicity of the isoaspartate‐containing peptide in a chromatographic elution. Collectively, this methodology provides a useful tool to monitor deamidation and isomerization in biopharmaceuticals during their production, downstream processing and storage. Copyright © 2010 John Wiley & Sons, Ltd.
Anonymat des dons d’engendrement: le grand malentendu du débat français
Authors: Théry I. 
Published: March 2010

Résumé
Le débat français sur l’anonymat des dons dans l’assistance médicale à la procréation est traversé par un grand malentendu: les partisans du statu quo légal reprochent aux partisans du droit d’accès aux origines de vouloir « biologiser la filiation ». Or, il suffit d’examiner ce qui s’est fait ces dernières années dans les nombreux pays européens qui ont décidé de lever l’anonymat des donneurs, pour voir que cela est un fantasme. Loin de biologiser la filiation, ces pays ont au contraire conforté les receveurs du don comme les seuls parents juridiques de l’enfant, en posant dans la loi un principe de complémentarité entre les places respectives de donneur d’engendrement et de receveur/parent par la filiation.
Building long‐term orientation in buyer–supplier relationships: The moderating role of culture
Authors: Cannon Joseph P. , Doney Patricia M. , Mullen Michael R. , Petersen Kenneth J. 
Published: March 2010

AbstractThis research investigates buyer–supplier relationships in international markets. Research and practice have shown that buyer–supplier relationships benefit when partners to the relationship exhibit a long‐term orientation. The extant literature suggests that a buyer's trust of a supplier and the supplier's performance affect the buyer's long‐term orientation toward the relationship. We propose that the relative effects of trust and performance on long‐term orientation are moderated by culture – specifically the individualism/collectivism dimension. Hypotheses are tested on data from two individualist and two collectivist cultures, using responses from over 600 purchasing professionals in the United States, Anglophone Canada, Francophone Canada and Mexico. Taken together, empirical findings suggest that cultural differences warrant consideration in developing successful purchasing strategies.
Risk Factors for Plantar Fasciitis Among Assembly Plant Workers
Authors: Werner Robert A. , Gell Nancy , Hartigan Anne , Wiggerman Neal , Keyserling William M. 
Published: March 2010

ObjectiveThe objective of this study was to determine the relative contributions of work activity (time spent standing, walking, or sitting), floor surface characteristics, weight, body mass index, age, foot biomechanics, and other demographic and medical history factors to the prevalence of plantar fasciitis.DesignA cross‐sectional observational study design was used.SettingThe study site was an automobile engine assembly plant.ParticipantsFull‐time employees of the assembly plant who had been working at least 6 months.Assessment of Risk FactorsThe independent variables included baseline demographics, medical history, ergonomic exposures, psychosocial factors, discomfort ratings, shoe characteristics, and foot biomechanics.Main Outcome MeasurementsThe dependent variable was the finding of plantar fasciitis on physical examination.ResultsThe study demonstrated that forefoot pronation on physical examination, high metatarsal pressure on the gait assessment, increasing time spent standing on hard surfaces, increased time spent walking, medium tenure at the plant, and an increased number of times getting in and out of the vehicle (for the truck/forklift drivers) increased the risk of presenting with plantar fasciitis. Rotation of shoes during the work week was found to reduce the risk of presenting with plantar fasciitis. Increased supervisor support showed a trend toward reducing the prevalence of plantar fasciitis.ConclusionsPlantar fasciitis is relatively common in the manufacturing setting. These findings suggest several options for primary and secondary prevention strategies. Shoe rotation may be an effective strategy that may be used as either a primary or secondary strategy. The use of shoe orthoses with a medial longitudinal arch and metatarsal pad may be used as a preventive or treatment strategy. Work stations that decrease the percentage of time walking or standing on hard surfaces (eg, allowing workers to alternate between sitting and standing postures or providing cushioning mats for concrete surfaces) may lower the risk for plantar fasciitis.
SUPERADDITIVITY OF SOME FUNCTIONALS ASSOCIATED WITH JENSEN’S INEQUALITY FOR CONVEX FUNCTIONS ON LINEAR SPACES WITH APPLICATIONS
Authors: DRAGOMIR S. S. 
Published: March 2010

AbstractSome new results related to Jensen’s celebrated inequality for convex functions defined on convex sets in linear spaces are given. Applications for norm inequalities in normed linear spaces andf-divergences in information theory are provided as well.
ON PRIME-LIKE RADICALS
Authors: TUMURBAT S. , FRANCE-JACKSON H. 
Published: March 2010

AbstractA radical γ is prime-like if, for every prime ring A, the polynomial ring A[x] is γ-semisimple. In this paper, we study properties of prime-like radicals. In particular, we give necessary and sufficient conditions for a radical γ containing the prime radical β to be prime-like. This allows us to easily find distinct special radicals that coincide on simple rings and on polynomial rings, which answers a question put by Ferrero. It also allows us to reformulate a long-standing open problem of Gardner in terms of prime-like radicals.
QUADRATIC CURVATURE ENERGIES IN THE 2-SPHERE
Authors: ARROYO JOSU , GARAY ÓSCAR J. , MENCÍA JOSE 
Published: March 2010

AbstractThe classical variational analysis of curvature energy functionals, acting on spaces of curves of a Riemannian manifold, is extremely complicated, and the procedure usually can not be completely developed under such a degree of generality. Sometimes this difficulty may be overcome by focusing on specific actions in real space forms. In this note, we restrict ourselves to quadratic Lagrangian energies acting on the space of closed curves of the 2-sphere. We solve the Euler–Lagrange equation and show that there exists a two-parameter family of closed critical curves. We also discuss the stability of the circular critical points. Since, even for this class of energies, the complete variational analysis is quite involved, we use instead a numerical approach to provide a useful method of visualization of relevant aspects concerning uniqueness, stability and explicit representation of the closed critical curves.
Maternal early pregnancy vitamin D status in relation to fetal and neonatal growth: results of the multi-ethnic Amsterdam Born Children and their Development cohort
Authors: Leffelaar Evelien R. , Vrijkotte Tanja G. M. , van Eijsden Manon 
Published: March 2010

Low vitamin D levels during pregnancy may account for reduced fetal growth and for altered neonatal development. The present study explored the association between maternal vitamin D status measured early in pregnancy and birth weight, prevalence of small-for-gestational-age (SGA) infants and postnatal growth (weight and length), as well as the potential role of vitamin D status in explaining ethnic disparities in these outcomes. Data were derived from a large multi-ethnic cohort in The Netherlands (Amsterdam Born Children and their Development (ABCD) cohort), and included 3730 women with live-born singleton term deliveries. Maternal serum vitamin D was measured during early pregnancy (median 13 weeks, interquartile range: 12–14), and was labelled ‘deficient’ ( ≤ 29·9 nmol/l), ‘insufficient’ (30–49·9 nmol/l) or ‘adequate’ ( ≥ 50 nmol/l). Six ethnic groups were distinguished: Dutch, Surinamese, Turkish, Moroccan, other non-Western and other Western. Associations with neonatal outcomes were analysed using multivariate regression analyses. Results showed that compared with women with adequate vitamin D levels, women with deficient vitamin D levels had infants with lower birth weights ( − 114·4 g, 95 % CI − 151·2, − 77·6) and a higher risk of SGA (OR 2·4, 95 % CI 1·9, 3·2). Neonates born to mothers with a deficient vitamin D status showed accelerated growth in weight and length during the first year of life. Although a deficient vitamin D status influenced birth weight, SGA risk and neonatal growth, it played a limited role in explaining ethnic differences. Although vitamin D supplementation might be beneficial to those at risk of a deficient vitamin D status, more research is needed before a nationwide policy on the subject can be justified.
Atypical presentations of malignant otitis externa
Authors: Vourexakis Z , Kos M-I , Guyot J-P 
Published: March 2010

AbstractIntroduction:Malignant otitis externa is a life-threatening infection of the skull base. Its presentation is not always typical.Case reports:We report three cases of malignant otitis externa which illustrate the diversity of its clinical manifestations and the difficulties in its diagnosis.Discussion:The perception of malignant otitis externa as an infection caused byPseudomonas aeruginosain diabetic patients is not always correct. The adoption of diagnostic criteria could be helpful in identifying atypical cases.
Alcohol use among older adults
Authors: St John Philip D , Snow Wanda M , Tyas Suzanne L 
Published: March 2010

SummaryAlcohol use is common in older adults and is associated with numerous health and social problems. Recent evidence suggests that in addition to level of alcohol consumption, drinking pattern may also be important. Moderate alcohol intake may confer some cardiac benefits, while heavy episodic drinking seems particularly problematic. Detecting alcohol misuse in older adults is difficult since clinical acumen is often poor, screening questionnaires have serious limitations and laboratory tests are not diagnostic. Brief alcohol interventions to reduce alcohol consumption appear useful in younger populations, but are less studied in older adults. While there is increasing research into the issue of alcohol use among older adults, clinicians and policy-makers must rely on limited evidence when making clinical decisions.
Pneumonia and influenza – specific considerations in care homes
Authors: Gordon Adam , Ewan Victoria 
Published: March 2010

SummaryThis review provides an update on current evidence surrounding epidemiology, treatment and prevention of lower respiratory tract infection, with special reference to pneumonia and influenza, in care home residents. The care home sector is growing and provides a unique ecological niche for infections, housing frail older people with multiple co-morbidities and frequent contact with healthcare services. There are therefore considerations in the epidemiology and management of these conditions that are specific to care homes. Opportunities for prevention, in the form of vaccination strategies and improving oral hygiene, may reduce the burden of these diseases in the future. Work is needed to research these infections specifically in the care home setting, and this article highlights current gaps in our knowledge.
Characterization of dormancy behaviour in seeds of the model legumeMedicago truncatula
Authors: Bolingue William , Ly Vu Benoit , Leprince Olivier , Buitink Julia 
Published: March 2010

AbstractSeeds ofMedicago truncatula, a genomic model species for legumes, exhibit physiological and physical dormancy. Here, the factors influencing the germination behaviour of freshly harvested and stored seeds were investigated using several genotypes. Hardseededness is promoted when mature seeds are equilibrated at relative humidities (RH) below 75%. The release of physical dormancy during imbibition was dependent on the initial water content/RH that the seeds were dried to: the drier the seeds, the longer the imbibition time needed to break physical dormancy. The kinetics of physical dormancy release was slower than that of physiological dormancy, making it possible to uncouple both phenomena. Freshly harvested embryos without seed coverings germinated at the same speed as afterripened seeds. The depth of dormancy varied between differentM. truncatulagenotypes, from more to less dormant: DZA315.16>A17 (Jemalong)>R108>DZA45.5. This difference was eliminated by removing the endosperm. Collectively, these observations indicate that the endosperm is likely the main factor in the reduced germination of freshly harvested seeds. White light decreased germination speed of dormant seeds whereas it had no effect on non-dormant seeds. Recently harvested seeds were most dormant at temperatures above 17°C, whereas afterripened seeds germinated over a wider range of temperature. Fluridone could efficiently break dormancy, reinforcing the role of abscisic acid (ABA) synthesis. However, dormancy was not affected by gibberellic acid (100 μM GA3) or nitrate. The particular dormancy features unravelled here forM. truncatula, combined with the available genomic resources, make it a new, useful model for genetic and molecular studies which can complement those developed for Arabidopsis.
Full-length extracellular region of the var2CSA variant of PfEMP1 is required for specific, high-affinity binding to CSA
Authors: Srivastava Anand , Gangnard Stéphane , Round Adam , Dechavanne Sébastien , Juillerat Alexandre , Raynal Bertrand , Faure Grazyna , Baron Bruno , Ramboarina Stéphanie , Singh Saurabh Kumar , Belrhali Hassan , England Patrick , Lewit-Bentley Anita , Scherf Artur , Bentley Graham A. , Gamain Benoît 
Published: March 2010

Pregnancy-associated malaria (PAM) is a serious consequence of sequestration of
Plasmodium falciparum
-parasitized erythrocytes (PE) in the placenta through adhesion to chondroitin sulfate A (CSA) present on placental proteoglycans. Recent work implicates var2CSA, a member of the PfEMP1 family, as the mediator of placental sequestration and as a key target for PAM vaccine development. Var2CSA is a 350 kDa transmembrane protein, whose extracellular region includes six Duffy-binding-like (DBL) domains. Due to its size and high cysteine content, the full-length var2CSA extracellular region has not hitherto been expressed in heterologous systems, thus limiting investigations to individual recombinant domains. Here we report for the first time the expression of the full-length var2CSA extracellular region (domains DBL1X to DBL6
ε
) from the 3D7 parasite strain using the human embryonic kidney 293 cell line. We show that the recombinant extracellular var2CSA region is correctly folded and that, unlike the individual DBL domains, it binds with high affinity and specificity to CSA (
K

D

= 61 nM) and efficiently inhibits PE from binding to CSA. Structural characterization by analytical ultracentrifugation and small-angle x-ray scattering reveals a compact organization of the full-length protein, most likely governed by specific interdomain interactions, rather than an extended structure. Collectively, these data suggest that a high-affinity, CSA-specific binding site is formed by the higher-order structure of the var2CSA extracellular region. These results have important consequences for the development of an effective vaccine and therapeutic inhibitors.
Stream acidification increases nitrogen uptake by leaf biofilms: implications at the ecosystem scale
Authors: ELY DAMON T. , VON SCHILLER DANIEL , VALETT H. MAURICE 
Published: March 2010

Summary1. While anthropogenic stream acidification is known to lower species diversity and impair decomposition, its effects on nutrient cycling remain unclear. The influence of acid‐stress on microbial physiology can have implications for carbon (C) and nitrogen (N) cycles, linking environmental conditions to ecosystem processes.2. We collected leaf biofilms from streams spanning a gradient of pH (5.1–6.7), related to chronic acidification, to investigate the relationship between qCO2 (biomass‐specific respiration; mg CO2‐C g−1 fungal C h−1), a known indicator of stress, and biomass‐specific N uptake (μg NH4‐N mg−1 fungal biomass h−1) at two levels of N availability (25 and 100 μg NH4‐N L−1) in experimental microcosms.3. Strong patterns of increasing qCO2 (i.e. increasing stress) and increasing microbial N uptake were observed with a decrease in ambient (i.e. chronic) stream pH at both levels of N availability. However, fungal biomass was lower on leaves from more acidic streams, resulting in lower overall respiration and N uptake when rates were standardized by leaf biomass.4. Results suggest that chronic acidification decreases fungal metabolic efficiency because, under acid conditions, these organisms allocate more resources to maintenance and survival and increase their removal of N, possibly via increased exoenzyme production. At the same time, greater N availability enhanced N uptake without influencing CO2 production, implying increased growth efficiency.5. At the ecosystem level, reductions in growth because of chronic acidification reduce microbial biomass and may impair decomposition and N uptake; however, in systems where N is initially scarce, increased N availability may alleviate these effects. Ecosystem response to chronic stressors may be better understood by a greater focus on microbial physiology, coupled elemental cycling, and responses across several scales of investigation.