bluuebunny/crossref_metadata_2025 huggingface dataset:
On the zeroth‐order hamiltonian for CASPT2 calculations of spin crossover compounds
Authors: Vela Sergi , Fumanal Maria , Ribas‐Ariño Jordi , Robert Vincent
Published: December 2015

Complete active space self‐consistent field theory (CASSCF) calculations and subsequent second‐order perturbation theory treatment (CASPT2) are discussed in the evaluation of the spin‐states energy difference (ΔHelec) of a series of seven spin crossover (SCO) compounds. The reference values have been extracted from a combination of experimental measurements and DFT + U calculations, as discussed in a recent article (Vela et al., Phys Chem Chem Phys 2015, 17, 16306). It is definitely proven that the critical IPEA parameter used in CASPT2 calculations of ΔHelec, a key parameter in the design of SCO compounds, should be modified with respect to its default value of 0.25 a.u. and increased up to 0.50 a.u. The satisfactory agreement observed previously in the literature might result from an error cancellation originated in the default IPEA, which overestimates the stability of the HS state, and the erroneous atomic orbital basis set contraction of carbon atoms, which stabilizes the LS states. © 2015 Wiley Periodicals, Inc.
Assessing global and regional iron content in deep gray matter as a function of age using susceptibility mapping
Authors: Liu Manju , Liu Saifeng , Ghassaban Kiarash , Zheng Weili , Dicicco Dane , Miao Yanwei , Habib Charbel , Jazmati Tarek , Haacke E. Mark
Published: December 2015

Purpose

To investigate the correlation of non‐heme iron content in deep gray matter nuclei as a function of age using quantitative susceptibility mapping (QSM) from both whole‐structural and regional perspectives.

Materials and Methods

We studied a group of 174 normal subjects ranging from 20 to 69 years old and measured the magnetic susceptibility of seven subcortical gray matter nuclei. SWI (susceptibility‐weighted imaging) phase images were used to generate the susceptibility maps, which were acquired on a 1.5T scanner. The 3D whole‐structural measurements were used to determine age‐related thresholds, which were applied to calculate the local iron deposition (RII: portion of the structure that contains iron concentration larger than the structure threshold). Age‐susceptibility correlation was reported for each measured structure for both the whole‐region and two‐region (low iron and high iron content regions) analysis.

Results

For the local high iron content region, a strong age‐susceptibility correlation was found in the caudate nucleus (CN,R = 0.9), putamen (PUT,R = 0.9), red nucleus (RN,R = 0.8), globus pallidus (GP,R = 0.7), substantia nigra (SN,R = 0.5), and pulvinar thalamus (PT,R = 0.5); for the global iron content, a strong age‐susceptibility correlation was found in CN(R = 0.6), PUT(R = 0.7), and RN(R = 0.6). Overall, for each structure analyzed in this study, regional analysis showed higher correlation coefficient and higher slope comparing to the whole‐region analysis. Further, we found the quantitative conversion factor between magnetic susceptibility and iron concentration to be 1.03 ± 0.03 ppb per μg iron/g wet tissue.

Conclusion

We conclude that the age‐susceptibility correlation can serve as a quantitative magnetic susceptibility baseline as a function of age for monitoring abnormal global and regional iron deposition. A regional analysis has shown a tighter age related behavior, providing a reliable and sensitive reference for what can be considered normal iron content for studies of neurodegenerative diseases. J. Magn. Reson. Imaging 2016;44:59–71.
Isolation and characterization of a T4‐like phage with a relatively wide host range within Escherichia coli
Authors: Xu Juntian , Chen Mianmian , He Lingchen , Zhang Shuqing , Ding Tianyun , Yao Huochun , Lu Chengping , Zhang Wei
Published: December 2015

Avian pathogenic Escherichia coli (APEC) causes colibacillosis in poultry, resulting in severe economic losses worldwide. Coliphages represent alternative antibacterial substitutes based on high lytic efficiency and few side‐effects. However, the complete genome sequences information of APEC phages are limited, and knowledge of undesired genes and the narrow host range restrict their applications. In this study, we isolated a virulent phage QL01, with a relatively broad lytic spectrum (41 of 78 APEC strains). Transmission electron micrography showed it belonged to the family Myoviridae with an elongated head and a contractile tail. Whole genome sequencing revealed a linear double‐stranded DNA (170,527 kb; GC content, 39.6%) with 275 possible ORFs. Comparative genome analysis revealed high homology between QL01 and other T4‐like phages. However, it also showed some unique features, for example, ORF142 and ORF143, which encode IP9 and IP8, respectively, and may counteract host resistance only exist in a few T4‐like phages such as IME08 and vB_EcoM_VR5. Furthermore, phage therapy in artificially infected ducks showed a 26.67% decrease in mortality compared with the untreated group. Our study indicates the potential antibacterial function of phage QL01 against APEC infections and highlights unique molecular features underlying the relatively broad host range.
The atmospheric circulation characteristics favouring snowfall in an area with complex relief in Northwestern Greece
Authors: Dafis S. , Lolis C. J. , Houssos E. E. , Bartzokas A.
Published: December 2015

The connection between atmospheric circulation over Europe and snowfall in Ioannina, Northwestern (NW) Greece, is examined. The study deals with 160 snow events, referring to the 56‐year period 1956–2011. For each of the events, the patterns of 500 and 1000 hPa geopotential height, 500 and 850 hPa air temperature, 1000–500, 1000–700 and 700–500 hPa thickness are constructed for the European area, whereas static stability K‐index, relative humidity at 500, 700 and 850 hPa levels and finally relative vorticity at 500 and 1000 hPa are also used for the Southeastern (SE) Mediterranean region, for the previous day (D‐1), the starting day (D) and the day following the cessation of snowfall (END). Factor analysis and cluster analysis are applied to the above datasets and the evolutions of the above circulation parameters are classified into eight clusters. Snowfall in NW Greece is generally associated with a low pressure system over the Ionian Sea combined with an anticyclone over Western or NW Europe, causing cold northwesterly flow in the lower troposphere over NW Greece. In the middle troposphere, a deep 500 hPa trough usually extends from Western Russia to Italy and the Ionian Sea. The eight atmospheric circulation structures differ mainly in the exact location and/or the intensity of the depression and/or the anticyclone, in the orientation of the 500 hPa trough axis and in the trajectories of the above synoptic systems between D‐1 and END days.
Better knowledge with more gauges? Investigation of the spatiotemporal characteristics of precipitation variations over the Greater Beijing Region
Authors: Yang Wen‐Yu , Li Zhe , Sun Ting , Ni Guang‐Heng
Published: December 2015

Using the hourly precipitation observations from 118 gauge stations and a weather radar in the Greater Beijing Region (GBR) during 2008–2012, we investigate the spatiotemporal characteristics of precipitation and discuss the appropriate observational approach for capturing variability of precipitation over this region. In general, the south central and northeastern GBR receives more intense precipitation than other parts. The diurnal cycle of precipitation amount (PA) peaks in the evening and decreases till noon, whereas precipitation intensity (PI) and precipitation frequency (PF) both have two peaks. The stronger peaks of PI and PF occur in the evening whereas the weaker ones appear in the early nighttime and in the afternoon. Remarkable spatial heterogeneity also exists in the diurnal patterns of PA, PI and PF over the GBR. Rainstorms extracted from radar data feature in short duration (11.4 h in average) and highly localized patterns (4.31–20.58/1.85–9.10 km in major/minor radius direction). The estimated diurnal cycles of PA, PI and PF are found to depend on the gauge density in a sensitivity analysis, where a gauge density ratio of 0.6 (corresponding to 30 gauges in total with a representative area of 239.5 km2 per gauge) is identified as adequate to capture the temporal characteristics of precipitation in the plain area of GBR. However, such a gauge density ratio (i.e. 0.6) is incapable for resolving the spatial characteristics of precipitation in GBR. As such, different instruments (e.g. gauge network, weather radar, etc.) and multiple data sources are suggested to be jointly utilized to better capture the characteristics of rainstorms in GBR.
Development of high‐resolution (250 m) historical daily gridded air temperature data using reanalysis and distributed sensor networks for the US Northern Rocky Mountains
Authors: Holden Zachary A. , Swanson Alan , Klene Anna E. , Abatzoglou John T. , Dobrowski Solomon Z. , Cushman Samuel A. , Squires John , Moisen Gretchen G. , Oyler Jared W.
Published: December 2015

Gridded temperature data sets are typically produced at spatial resolutions that cannot fully resolve fine‐scale variation in surface air temperature in regions of complex topography. These data limitations have become increasingly important as scientists and managers attempt to understand and plan for potential climate change impacts. Here, we describe the development of a high‐resolution (250 m) daily historical (1979–2012) temperature data set for the US Northern Rocky Mountains using observations from both long‐term weather stations and a dense network of low‐cost temperature sensors. Empirically based models for daily minimum and maximum temperature incorporate lapse rates from regional reanalysis data, modelled daily solar insolation and soil moisture, along with time invariant canopy cover and topographic factors. Daily model predictions demonstrate excellent agreement with independent observations, with mean absolute errors of <1.4 °C for both minimum and maximum temperature. Topographically resolved temperature data may prove useful in a range of applications related to hydrology, fire regimes and fire behaviour, and habitat suitability modelling. The form of the models may provide a means for downscaling future temperature scenarios that account for potential fine‐scale topographically mediated changes in near‐surface temperature.
Rheology and microstructure of binary mixed gel of rice bran protein–whey: effect of heating rate and whey addition
Authors: Rafe Ali , Vahedi Elnaz , Hasan‐Sarei Azadeh Ghorbani
Published: December 2015

BACKGROUND

Rice bran protein (RBP) is a valuable plant protein which has unique nutritional and hypoallergenic properties. Whey proteins have wide applications in the food industry, such as in dairy, meat and bakery products.

RESULTS

Whey protein concentrate (WPC), RBP and their mixtures at different ratios (1:1, 1:2, 1:5 and 1:10 w/w) were heated from 20 to 90 °C at different heating rates (0.5, 1, 5 and 10 °C min−1). The storage modulus (G′) and gelling point (Tgel) of WPC were higher than those of RBP, indicating the good ability of WPC to develop stiffer networks. By increasing the proportion of WPC in mixed systems, G′ was increased and Tgel was reduced. Nevertheless, the elasticity of all binary mixtures was lower than that of WPC alone. Tgel and the final G′ of RBP–WPC blends were increased by raising the heating rate. The RBP–WPC mixtures developed more elastic gels than RBP alone at different heating rates. RBP had a fibrillar and lentil‐like structure whose fibril assembly had smaller structures than those of WPC.

CONCLUSION

The gelling structure of the mixed gel of WPC–RBP was improved by adding WPC. Indeed, by adding WPC, gels tended to show syneresis and had lower water‐holding capacity. Furthermore, the gel structure was produced by adding WPC to the non‐gelling RBP, which is compatible with whey and can be applied as a functional food for infants and/or adults. © 2015 Society of Chemical Industry
Selection of lactic acid bacteria strains for the hydrolysis of allergenic proteins of wheat flour
Authors: Stefańska Ilona , Piasecka‐Jóźwiak Katarzyna , Kotyrba Danuta , Kolenda Magdalena , Stecka Krystyna M
Published: December 2015

Background

Wheat flour is one of the most common causative agents of food allergy. The study presents the selection and characterization of lactic acid bacteria (LAB) strains capable of hydrolyzing/modifying allergenic proteins of wheat flour. Hydrolysis of wheat proteins was determined with sodium dodecyl sulfate–polyacrylamide gel electrophoresis and immunoblotting with sera from patients with food allergy to gluten.

Results

The analysis of electrophoretic profiles of protein extracted from sourdough shows the capability of selected LAB strains for proteolytic degradation of wheat proteins that belong to two factions: albumin/globulin (hydrolysis of 13 polypeptides with a molecular weight between 103 and 22 kDa); and gliadin (seven polypeptides with a molecular weight between 39 and 24 kDa). All analyzed strains were capable of hydrolyzing some IgE‐binding epitopes of wheat allergens. The lack of such changes in control samples indicates that they were induced rather by the proteolytic activity of bacterial strains than endogenous enzymes of wheat flour. The gluten proteins were susceptible to hydrolysis by sequential digestion with pepsin and trypsin.

Conclusion

The selected strains exhibit proteolytic activity, which leads to a reduction in allergenicity of wheat sourdoughs. These strains may be applied as specific starter cultures to prepare bakery products of special nutritional use. © 2015 Society of Chemical Industry
Short‐ and long‐term effects of carbohydrate limitation on sugar and organic acid accumulation during mandarin fruit growth
Authors: Antoine Sandrine , Pailly Olivier , Gibon Yves , Luro François , Santini Jérémie , Giannettini Jean , Berti Liliane
Published: December 2015

BACKGROUND

The physiological roles of organic acids in fruit cells are not fully understood, especially in citrus, whereas the decline in titratable acidity during ripening shown by many citrus fruits is due to the utilization of citric acid. We induced carbohydrate depletion by removing source leaves at two key periods in mandarin development (early and full citric acid accumulation). Then, we assessed the resulting changes in the short term (within 48 h) and long term (several weeks until ripening).

RESULTS

Control mature fruits were characterized by elevated fresh weight, large diameters and high quantities of malic acid, citric acid and sucrose. At the same stage, fruits subjected to early or late defoliation had higher glucose, fructose, citric acid concentrations and lower sucrose concentrations. They differed only in their malic acid concentrations, which were higher in early defoliation fruits and similar in late defoliation fruits when compared to control fruits. Finally, fruits subjected to late defoliation were characterized by high proline and γ‐aminobutyric acid concentrations, and low fructose and glucose concentrations.

CONCLUSION

We have shown that short‐ and long‐term carbohydrate limitation modifies sugar and organic acid metabolism during mandarin fruit growth. © 2015 Society of Chemical Industry
Influence of substituent position and cavity size of the regioisomers of monocarboxymethyl‐α‐, β‐, and γ‐cyclodextrins on the apparent stability constants of their complexes with both enantiomers of Tröger's base
Authors: Řezanka Pavel , Řezanková Klára , Sedláčková Helena , Mašek Jindřich , Rokosová Lenka , Bláhová Markéta , Řezanka Michal , Jindřich Jindřich , Sýkora David , Král Vladimír
Published: December 2015

Enantiomers of Tröger's base were separated by capillary electrophoresis using 2I‐O‐, 3I‐O‐, and 6I‐O‐carboxymethyl‐α‐, β‐, and γ‐cyclodextrin and native α‐, β‐, and γ‐cyclodextrin as chiral additives at 0–12 mmol/L for β‐cyclodextrin and its derivatives and 0–50 mmol/L for α‐ and γ‐cyclodextrins and their derivatives in a background electrolyte composed of sodium phosphate buffer at 20 mmol/L concentration and pH 2.5. Apparent stability constants of all cyclodextrin–Tröger's base complexes were calculated based on capillary electrophoresis data. The obtained results showed that the position of the carboxymethyl group as well as the cavity size of the individual cyclodextrin significantly influences the apparent stability constants of cyclodextrin–Tröger's base complexes.
Surface plasmon polariton assisted optical pulling force
Authors: Petrov Mihail I. , Sukhov Sergey V. , Bogdanov Andrey A. , Shalin Alexander S. , Dogariu Aristide
Published: December 2015

We demonstrate both analytically and numerically the existence of optical pulling forces acting on particles located near plasmonic interfaces. Two main factors contribute to the appearance of this negative recoil force. The interference between the incident and reflected waves induces a rotating dipole with an asymmetric scattering pattern, while the directional excitation of surface plasmon polaritons (SPPs) enhances the linear momentum of scattered light. The strongly asymmetric SPP excitation is determined by spin–orbit coupling of the rotating dipole and surface plasmon polariton. As a result of the total momentum conservation, the force acting on the particle points in a direction opposite to the incident wave propagation. We derive analytical expressions for the force acting on dipolar particles placed in the proximity of plasmonic surfaces. Analytical expressions for this pulling force are derived within the dipole approximation and are in excellent agreement with results of electromagnetic numerical calculations. The forces acting on larger particles are analyzed numerically, beyond the dipole approximation.

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Research on the influence of the band edge processing on the process of linear flow splitting
Authors: Neuwirth M. , Ahmels L. , Schmidt S. , Hegemann M. , Groche P. , Müller C.
Published: December 2015

Sheet metal is available in a wide range of properties and material composition. There are standardized quality characteristics for mechanical and geometrical properties in the plane of the sheet. However, the band edges are influenced by the correspondent metal working process and the properties may vary or be unknown. The forming zone of the manufacturing process linear flow splitting is located at the band edge. Thus, the knowledge of probable influences of metal working induced band edge properties on the process of linear flow splitting is essential and this knowledge will be presented in the following article.
Integrated safety of levodopa‐carbidopa intestinal gel from prospective clinical trials
Authors: Lang Anthony E. , Rodriguez Ramon L. , Boyd James T. , Chouinard Sylvain , Zadikoff Cindy , Espay Alberto J. , Slevin John T. , Fernandez Hubert H. , Lew Mark F. , Stein David A. , Odin Per , Fung Victor S.C. , Klostermann Fabian , Fasano Alfonso , Draganov Peter V. , Schmulewitz Nathan , Robieson Weining Z. , Eaton Susan , Chatamra Krai , Benesh Janet A. , Dubow Jordan
Published: December 2015

Background

Continuous administration of levodopa‐carbidopa intestinal gel (carbidopa‐levodopa enteral suspension) through a percutaneous endoscopic gastrojejunostomy is a treatment option for advanced Parkinson disease (PD) patients with motor fluctuations resistant to standard oral medications. Safety data from 4 prospective studies were integrated to assess the safety of this therapy.

Methods

Safety data from 4 studies were summarized using 2 overlapping data sets, permitting the separation of procedure/device–associated (n = 395) from non‐procedure/device adverse events (n = 412).

Results

At the data cutoff, median exposure to levodopa‐carbidopa intestinal gel was 911 days (range, 1‐1980 days) with 963 total patient‐years of exposure. Procedure/device adverse events occurred in 300 patients (76%), and serious adverse events occurred in 68 (17%); most frequently reported procedure/device adverse events and serious adverse events were complications of device insertion (41% and 8%, respectively) and abdominal pain (36% and 4%, respectively). Non‐procedure/device adverse events occurred in 92% (379), with most frequently reported being insomnia (23%) and falls (23%); 42% (171) had non‐procedure/device serious adverse events, with most frequently reported being pneumonia (5%) and PD symptoms (2%). Adverse events led to discontinuation in 17% (72), most frequently because of complication of device insertion (2.4%). There were 34 treatment‐emergent deaths (8.3%) in the overlapping data sets, 2 of which (0.5%) were considered “possibly related” to the treatment system.

Conclusion

In the largest collection of levodopa‐carbidopa intestinal gel safety data from prospective clinical studies, procedure/device events were frequently reported and occasionally life threatening. Most non‐procedure/device events were typical for levodopa treatment and an elderly population. These factors combined with high treatment efficacy led to a relatively low discontinuation rate in advanced PD patients. © 2015 International Parkinson and Movement Disorder Society
Mendelian Randomization — the Key to Understanding Aspects of Parkinson's Disease Causation?
Authors: Noyce Alastair J. , Nalls Mike A.
Published: December 2015

Parkinson's disease has multiple determinants and is associated with a wide range of exposures that appear to modify risk in traditional observational studies, including numerous lifestyle and environmental factors. Across other fields of medicine, Mendelian randomization has emerged as a powerful method to examine whether associations between exposures and disease outcomes are causal. Here we discuss the concept of Mendelian randomization, its potential relevance to Parkinson's disease, and suggest avenues through which the method could be employed to further understanding of the causal basis of Parkinson's disease. © 2015 The Authors. Movement Disorders published by Wiley Periodicals, Inc. on behalf of International Parkinson and Movement Disorder Society.
Myosteatosis increases with aging and is associated with incident diabetes in African ancestry men
Authors: Miljkovic Iva , Kuipers Allison L. , Cvejkus Ryan , Bunker Clareann H. , Patrick Alan L. , Gordon Christopher L. , Zmuda Joseph M.
Published: December 2015

Objective

Skeletal muscle fat infiltration (known as myosteatosis) is greater in African compared with European ancestry men and may play an important role in the development of type 2 diabetes (T2D). However, prospective studies examining the magnitude of changes in myosteatosis with aging and their metabolic consequences are sparse.

Methods

Longitudinal changes in peripheral quantitative computed tomography measured calf myosteatosis [intermuscular fat (mm2) and skeletal muscle density as a measure of intramuscular fat (mg/cm3)] were examined in 1515 Afro‐Caribbean men aged 40+ years recruited without regard to their health status.

Results

During an average of 6.2 years of follow‐up, an age‐related increase in intermuscular fat and a decrease in skeletal muscle density were observed (all P < 0.0001), which remained significant in those who lost weight, gained weight, or remained weight stable (all P < 0.0001). In addition, muscle density loss accelerated with increasing age (P < 0.0001). Increased intermuscular fat during follow‐up was associated with an increased incident risk of T2D independent of factors known to be associated with T2D (odds ratios per 1‐SD increase in intermuscular fat = 1.29; 95% CI = 1.08‐1.53).

Conclusions

Our findings suggest that both inter‐ and intramuscular fat increase with advancing age and that intermuscular fat contributes to development of T2D among African ancestry men.
Psychosocial Interventions and Therapeutic Support as a Standard of Care in Pediatric Oncology
Authors: Steele Amii C. , Mullins Larry L. , Mullins Alexandria J. , Muriel Anna C.
Published: December 2015

Research indicates that a subset of youths with childhood cancer and their parents will experience significant psychological distress throughout the course of their illness. Importantly, the existing literature indicates that psychosocial support is beneficial in decreasing symptoms of distress in these families. The aim of the current review is to determine the extent of the evidence to support a standard of psychosocial care for children and their families throughout the cancer trajectory; thus, we examined the research related to psychosocial outcomes in youth with cancer and their parents. Pediatr Blood Cancer © 2015 Wiley Periodicals, Inc.
Communication, Documentation, and Training Standards in Pediatric Psychosocial Oncology
Authors: Patenaude Andrea Farkas , Pelletier Wendy , Bingen Kristin
Published: December 2015

As part of a larger effort to create standards for psychosocial care of children with cancer, we document consensus and evidence‐based data on interprofessional communication, documentation, and training for professionals providing psycho‐oncology services. Six databases were searched. Sixty‐five articles and six guidelines and consensus‐based documents were identified; 35 met inclusion criteria. Data support strong recommendations for standards of care in communication/collaboration, documentation of patient information, and training in pediatric psycho‐oncology. These are areas where extensive research is unlikely to be conducted; however, professional expectations and qualifications may be further clarified and strengthened with time. Pediatr Blood Cancer. © 2015 Wiley Periodicals, Inc.
Assessing Medication Adherence as a Standard of Care in Pediatric Oncology
Authors: Pai Ahna L. H. , McGrady Meghan E.
Published: December 2015

Poor adherence to pediatric cancer treatment protocols may prevent children and adolescents from realizing the potential benefits of therapy. This paper presents the evidence for a standard of care for supporting medication adherence. Databases were reviewed for articles examining adherence and including children and/or adolescents with cancer. Fourteen articles (i.e., qualitative, quantitative, review, and randomized clinical trials) were evaluated for rigor. There is moderate‐quality evidence to support a strong recommendation for adherence to be assessed routinely and monitored throughout the treatment. Integrating the proposed clinical procedures into standard clinical care may improve outcomes for children and adolescents with cancer.
Generic switching of warfarin and risk of excessive anticoagulation: a Danish nationwide cohort study
Authors: Hellfritzsch Maja , Rathe Jette , Stage Tore Bjerregaard , Thirstrup Steffen , Grove Erik L. , Damkier Per , Pottegård Anton
Published: December 2015

Purpose

Generic switching of warfarin was recently repealed in Denmark, as adverse drug reaction (ADR) reports suggested risk of excessive anticoagulation following switches from branded to generic warfarin. We investigated this putative association in a formalized pharmacoepidemiological analysis.

Methods

We conducted a nationwide cohort study based on Danish healthcare registries, including data from the introduction of generic warfarin until the repeal (January 2011–April 2015). We followed Danish warfarin users over time and compared the rate of incident hospitalizations due to excessive anticoagulation (i.e. increased INR or any bleeding requiring hospitalization) in periods following a recent switch to generic warfarin to the rate in periods without a recent switch.

Results

We included 105 751 warfarin users, filling a total of 1 539 640 prescriptions for warfarin (2.5% for generic warfarin). This constituted 89.0% of all warfarin prescriptions in Denmark during the study period. We observed 19 362 switches to generic warfarin during the study period. The adjusted hazard ratio for excessive anticoagulation following a recent switch from branded to generic warfarin was 1.1 (95%CI, 0.8–1.4). The result was robust within subgroups and several sensitivity analyses.

Conclusion

Switching from branded to generic warfarin is not associated with an increased risk of hospitalization with excessive anticoagulation. However, a minor excess risk of transient INR increase cannot be excluded. Pharmacoepidemiological studies provide an effective method for swift evaluation of hypotheses generated by ADR‐reports. Copyright © 2015 John Wiley & Sons, Ltd.
A synthesis of oral morphine equivalents (OME) for opioid utilisation studies
Authors: Nielsen Suzanne , Degenhardt Louisa , Hoban Bianca , Gisev Natasa
Published: December 2015

Purpose

Oral Morphine Equivalent (OME) doses are increasingly being used as a metric to represent opioid use. Driven by a growing need from pharmacoepidemiological studies, the objective of this study was to develop a comprehensive OME conversion table that can be used by researchers to calculate OMEs in a consistent and systematic way.

Methods

Clinical guidelines and literature sources were collated and synthesised to develop recommended OME conversion factors that can be used for research studies on opioids (including different formulations and routes of administration) currently available internationally including Australia, the United Kingdom, Europe, the United States and Canada.

Results

No single resource includes all opioids that are currently available. Although there was some variation in conversion factors reported in different sources, overall, suggested conversion factors were mostly consistent across national and international sources.

Conclusions

The use of the OME metric appears optimal for opioid utilisation studies as it facilities both interpretation and comparison between opioids and geographical locations. We have presented a synthesis of published OME conversion factors that can be applied to pharmacoepidemiological studies of opioids, in addition to a discussion of the considerations and caveats in using OME as a metric for opioid use. Copyright © 2015 John Wiley & Sons, Ltd.
Rational design of crystal contact‐free space in protein crystals for analyzing spatial distribution of motions within protein molecules
Authors: Matsuoka Rei , Shimada Atsushi , Komuro Yasuaki , Sugita Yuji , Kohda Daisuke
Published: December 2015

Contacts with neighboring molecules in protein crystals inevitably restrict the internal motions of intrinsically flexible proteins. The resultant clear electron densities permit model building, as crystallographic snapshot structures. Although these still images are informative, they could provide biased pictures of the protein motions. If the mobile parts are located at a site lacking direct contacts in rationally designed crystals, then the amplitude of the movements can be experimentally analyzed. We propose a fusion protein method, to create crystal contact‐free space (CCFS) in protein crystals and to place the mobile parts in the CCFS. Conventional model building fails when large amplitude motions exist. In this study, the mobile parts appear as smeared electron densities in the CCFS, by suitable processing of the X‐ray diffraction data. We applied the CCFS method to a highly mobile presequence peptide bound to the mitochondrial import receptor, Tom20, and a catalytically relevant flexible segment in the oligosaccharyltransferase, AglB. These two examples demonstrated the general applicability of the CCFS method to the analysis of the spatial distribution of motions within protein molecules.
Structure of a putative ClpS N‐end rule adaptor protein from the malaria pathogen Plasmodium falciparum
Authors: AhYoung Andrew P. , Koehl Antoine , Vizcarra Christina L. , Cascio Duilio , Egea Pascal F.
Published: December 2015

The N‐end rule pathway uses an evolutionarily conserved mechanism in bacteria and eukaryotes that marks proteins for degradation by ATP‐dependent chaperones and proteases such as the Clp chaperones and proteases. Specific N‐terminal amino acids (N‐degrons) are sufficient to target substrates for degradation. In bacteria, the ClpS adaptor binds and delivers N‐end rule substrates for their degradation upon association with the ClpA/P chaperone/protease. Here, we report the first crystal structure, solved at 2.7 Å resolution, of a eukaryotic homolog of bacterial ClpS from the malaria apicomplexan parasite Plasmodium falciparum (Pfal). Despite limited sequence identity, Plasmodium ClpS is very similar to bacterial ClpS. Akin to its bacterial orthologs, plasmodial ClpS harbors a preformed hydrophobic pocket whose geometry and chemical properties are compatible with the binding of N‐degrons. However, while the N‐degron binding pocket in bacterial ClpS structures is open and accessible, the corresponding pocket in Plasmodium ClpS is occluded by a conserved surface loop that acts as a latch. Despite the closed conformation observed in the crystal, we show that, in solution, Pfal‐ClpS binds and discriminates peptides mimicking bona fide N‐end rule substrates. The presence of an apicoplast targeting peptide suggests that Pfal‐ClpS localizes to this plastid‐like organelle characteristic of all Apicomplexa and hosting most of its Clp machinery. By analogy with the related ClpS1 from plant chloroplasts and cyanobacteria, Plasmodium ClpS likely functions in association with ClpC in the apicoplast. Our findings open new venues for the design of novel anti‐malarial drugs aimed at disrupting parasite‐specific protein quality control pathways.
10D massive type IIA supergravities as the uplift of parabolic M2‐brane torus bundles
Authors: Garcia del Moral Maria Pilar , Restuccia Alvaro
Published: December 2015

We remark that the two 10D massive deformations of the maximal type IIA supergravity (Romans and HLW supergravity) are associated to the low energy limit of the uplift to 10D of M2‐brane torus bundles with parabolic monodromy linearly and non‐linearly realized respectively. Romans supergravity corresponds to M2‐brane compactified on a twice‐punctured torus bundle.
From biology to management of Savi's pine vole (Microtus savii)
Authors: Ranchelli Elisa , Barfknecht Ralf , Capizzi Dario , Riga Francesco , Mazza Valeria , Dell'Agnello Filippo , Zaccaroni Marco
Published: December 2015

Savi's pine vole (Microtus savii) is a rodent species of the Cricetidae family, inhabiting southern European agroecosystems. It is considered to be the main cause of rodent‐attributed damage in Italy. To achieve an effective management, detailed knowledge of this species is needed. However, the available information about this species is fragmentary and incomplete. In this paper, the existing knowledge of Savi's pine vole taxonomy, reproduction, population dynamics, habitat and food preferences is reviewed in order to organise available information and identify priority areas of future research. Some of the changes in farming practices that have occurred in recent decades may have increased the impact of Savi's pine vole populations in crop fields. To manage this pest species effectively, an integrated strategy is recommended (involving habitat management, trapping and, when appropriate, the use of rodenticides). The apparent lack of cyclical population outbreaks and the relatively small litter size and long gestation and interpartum period of this species suggest that it could be more manageable than other vole species, while its strict herbivorous diet, stable population size in open habitats and wide distribution seem to indicate it as an ideal model species for risk assessment studies. © 2015 Society of Chemical Industry
Thiamethoxam and imidacloprid drench applications on sweet orange nursery trees disrupt the feeding and settling behaviour of Diaphorina citri (Hemiptera: Liviidae)
Authors: Miranda Marcelo P , Yamamoto Pedro T , Garcia Rafael B , Lopes João PA , Lopes João RS
Published: December 2015

BACKGROUND

Chemical control is the method most used for management of Diaphorina citri, the vector of the phloem‐limited bacteria associated with citrus huanglongbing (HLB) disease. The objectives of this study were to determine the influence of soil‐drench applications of neonicotinoids (thiamethoxam and imidacloprid) on the probing behaviour of D. citri on citrus nursery trees, using the electrical penetration graph (EPG) technique, and to measure the D. citri settling behaviour after probing on citrus nursery trees that had received these neonicotinoid treatments.

RESULTS

The drench applications of neonicotinoids on citrus nursery trees disrupt D. citri probing, mainly for EPG variables related to phloem sap ingestion, with a significant reduction (≈90%) in the duration of this activity compared with untreated plants in all assessment periods (15, 35 and 90 days after application). Moreover, both insecticides have a repellent effect on D. citri, resulting in significant dispersal of psyllids from treated plants.

CONCLUSIONS

This study clearly demonstrates the interference of soil‐applied neonicotinoids on the feeding and settling behaviour of D. citri on citrus nursery trees, mainly during the phloem ingestion phase. These findings reinforce the recommendation of drench application of neonicotinoids before planting nursery trees as a useful strategy for HLB management. © 2015 Society of Chemical Industry
Characteristics and environmental conditions of quasi‐stationary convective clusters during the warm season in Japan
Authors: Unuma Takashi , Takemi Tetsuya
Published: December 2015

The characteristics and environmental properties of warm‐season quasi‐stationary convective clusters (QSCCs) in Japan were statistically investigated using operational weather radar and upper‐air sounding data from May to October during 2005–2012. The characteristics of the environmental conditions for the development of QSCCs were described through a comparison with those for no‐rain cases. We identified 4133 QSCCs over the Japanese major islands. By compiling numerous QSCC samples, the horizontal scales of QSCCs with a circular shape are about 20 km on average with a maximum of 72 km, indicating that warm‐season QSCCs in Japan are meso‐β‐scale phenomena. The analyses of the environmental conditions for the QSCC and no‐rain cases showed that the amount of moisture in the lower layer controls the stability condition for the development of the QSCCs, and that the magnitudes of the wind shear and the helicity in the lower troposphere distinguish the kinematic environments for the development of the QSCCs. An increase in the middle‐level moisture leads to a larger amount of precipitable water vapour in the QSCC environments, suggesting that atmospheric moistening before the development stage of convection plays an important role in the development of the QSCCs. Additionally, the precipitation intensity has a higher correlation with the convective instability, whereas the precipitation area correlates with the shear intensity. A comparison between slower‐ and faster‐moving CCs indicated that the precipitation intensity of the slower‐moving CCs is stronger. This feature is related to a higher convective instability for the slower‐moving ones.
Mechanisms producing different precipitation patterns over north‐eastern Italy: insights from HyMeX‐SOP1 and previous events
Authors: Davolio S. , Volonté A. , Manzato A. , Pucillo A. , Cicogna A. , Ferrario M. E.
Published: December 2015

During the first HyMeX Special Observation Period (SOP1) field campaign, the target site of north‐eastern Italy (NEI) experienced a large amount of precipitation, locally exceeding the climatological values and distributed among several heavy‐rainfall episodes. In particular, two events that occurred during the last period of the campaign drew our attention. These events had common large‐scale patterns and a similar mesoscale setting, characterised by southerly low‐level flow interacting with the Alpine orography, but the precipitation distribution was very different. During Intensive Observing Period IOP18 (31 October–1 November 2012), convective systems were responsible for intense rainfall mainly located over a flat area of the eastern Po Valley, well upstream of the orography. Conversely, during IOP19 (4/5 November 2012), heavy precipitation affected only the Alpine area. In addition to IOP18 and IOP19, the present study analyses other heavy‐precipitation episodes that display similar characteristics and which occurred over NEI during the autumn of recent years. A high‐resolution (2 km grid spacing) non‐hydrostatic NWP model and available observations are used for this purpose.

The two different observed precipitation patterns are explained in terms of interaction between the impinging flow and the Alps. Depending on the thermodynamic profile, convection can be triggered when the impinging flow is forced to rise over a pre‐existing cold‐air layer at the base of the orography. In this situation a persistent blocked‐flow condition and upstream convergence are responsible for heavy rain localized over the plain. Conversely, if convection does not develop, flow‐over conditions are established and heavy rain affects the Alps. Numerical parameters proposed in the literature are used to support the analysis.

Finally, the role of evaporative cooling beneath the convective systems is evaluated. It turns out that the stationarity of the systems upstream of the Alps is mainly attributable to persistent blocked‐flow conditions, while convective outflow slightly modifies the location of precipitation.
Process Yield Analysis for Nonlinear Profiles in the Presence of Gauge Measurement Errors
Authors: Wang Fu‐Kwun
Published: December 2015

Process yield plays an important role in many manufacturing industries for measuring process performance. However, gauge measurement errors have significant effect on process capability analysis. In this study, we present a method based on the yield index to evaluate the process yield of nonlinear profiles in the presence of gauge measurement errors. The results indicate that the presence of gauge measurement errors in the data leads to different behaviors of the yield index estimator according to the existence of the gauge variability. Our proposed test procedure can be easily used to determine whether or not manufacturing processes meet the quality requirements when gauge measurement errors are considered. A real example from a manufacturing process is used to demonstrate the applications of the proposed method. Copyright © 2015 John Wiley & Sons, Ltd.
Quantifying the Impact of Water Abstraction for Low Head ‘Run of the River’ Hydropower on Localized River Channel Hydraulics and Benthic Macroinvertebrates
Authors: Anderson D. , Moggridge H. , Shucksmith J. D. , Warren P. H.
Published: December 2015

‘Run of the river’ (ROR) hydropower schemes have undergone a recent resurgence in Europe, and with legislation requiring the protection and enhancement of the physical and ecological condition of European rivers, there is a need to understand the impacts of these schemes. This paper presents an assessment of the eco‐hydraulic impact of a ROR hydropower scheme in the Peak District National Park, UK. Due to the ponded nature of the depleted stretch at the study site, this paper focuses on the characterization of the hydraulic impact of water abstraction for a ROR scheme at the hydropower outlet and samples microhabitats of benthic macroinvertebrates within the hydraulically affected zones. Measurement of hydraulic transects shows that the scheme's operation notably alters river channel hydraulics at 60% of water depth, whilst impacts are much less distinct in close proximity to the river bed. We identify eco‐hydraulic relationships between benthic macroinvertebrate communities and localized near‐bed velocity and turbulence conditions, thus indicating the potential for water abstraction by ROR schemes to impact lower trophic levels of riverine ecosystems. However, spatial patch‐scale (10–100 m2) meso‐habitat comparisons of invertebrate communities around the hydropower outlet showed only subtle differences, suggesting that in this case benthic communities are only minimally impacted by the ROR scheme. © 2015 The Authors.River Research and Applicationspublished by John Wiley & Sons, Ltd.
Irradiation of potassium‐silicate glass surfaces: XPS and REELS study
Authors: Romanyuk O. , Jiricek P. , Zemek J. , Houdkova J. , Jurek K. , Gedeon O.
Published: December 2015

The surface composition and chemical structure of potassium‐silicate glass (K2O‐SiO2) with 15 m% K2O and vitreous silica glasses (SiO2) were studied. Freshly fractured glass surfaces were irradiated by X‐ray AlKα radiation (1486.6 eV) and an electron beam (2000 eV) with various doses. As a consequence of photon irradiation, analyzed glass surfaces were enriched by potassium and the ratio of non‐bridging (NBO) to bridging oxygen (BO) increased with exposure dose. Optical properties of glass surfaces were studied by reflection electron energy loss spectroscopy (REELS). Electron irradiation induced changes in the loss spectra of the K2O–SiO2 glass. Refractive indexes of the non‐irradiated and irradiated K2O–SiO2 glass were derived. Changes in refractive index were related with potassium ions migration in the irradiated region. Copyright © 2015 John Wiley & Sons, Ltd.
Maximum type I error rate inflation from sample size reassessment when investigators are blind to treatment labels
Authors: Żebrowska Magdalena , Posch Martin , Magirr Dominic
Published: December 2015

Consider a parallel group trial for the comparison of an experimental treatment to a control, where the second‐stage sample size may depend on the blinded primary endpoint data as well as on additional blinded data from a secondary endpoint. For the setting of normally distributed endpoints, we demonstrate that this may lead to an inflation of the type I error rate if the null hypothesis holds for the primary but not the secondary endpoint.

We derive upper bounds for the inflation of the type I error rate, both for trials that employ random allocation and for those that use block randomization. We illustrate the worst‐case sample size reassessment rule in a case study. For both randomization strategies, the maximum type I error rate increases with the effect size in the secondary endpoint and the correlation between endpoints. The maximum inflation increases with smaller block sizes if information on the block size is used in the reassessment rule. Based on our findings, we do not question the well‐established use of blinded sample size reassessment methods with nuisance parameter estimates computed from the blinded interim data of the primary endpoint. However, we demonstrate that the type I error rate control of these methods relies on the application of specific, binding, pre‐planned and fully algorithmic sample size reassessment rules and does not extend to general or unplanned sample size adjustments based on blinded data. © 2015 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd.
Browserbite: cross‐browser testing via image processing
Authors: Saar Tõnis , Dumas Marlon , Kaljuve Marti , Semenenko Nataliia
Published: December 2015

Cross‐browser compatibility testing is concerned with identifying perceptible differences in the way a Web page is rendered across different browsers or configurations thereof. Existing automated cross‐browser compatibility testing methods are generally based on document object model (DOM) analysis, or in some cases, a combination of DOM analysis with screenshot capture and image processing. DOM analysis, however, may miss incompatibilities that arise not during DOM construction but rather during rendering. Conversely, DOM analysis produces false alarms because different DOMs may lead to identical or sufficiently similar renderings. This paper presents a novel method for cross‐browser testing based purely on image processing. The method relies on image segmentation to extract ‘regions’ from a Web page and computer vision techniques to extract a set of characteristic features from each region. Regions extracted from a screenshot taken on a baseline browser are compared against regions extracted from the browser under test based on characteristic features. A machine learning classifier is used to determine if differences between two matched regions should be classified as an incompatibility. An evaluation involving 140 pages shows that the proposed method achieves an F‐score exceeding 90%, outperforming a state‐of‐the‐art cross‐browser testing tool based on DOM analysis. Copyright © 2015 John Wiley & Sons, Ltd.