bluuebunny/crossref_metadata_2025 huggingface dataset:
Landscape patterns shape wetland pond ecosystem function from glacial headwaters to ocean
Authors: Vizza Carmella , Zwart Jacob A. , Jones Stuart E. , Tiegs Scott D. , Lamberti Gary A.
Published: April 2017

Examining patterns and processes along the aquatic continuum from headwaters to ocean can benefit from a landscape ecology approach, where hydrologic and ecological processes depend on landscape position. We conducted a study of freshwater wetland ponds subject to similar climatic conditions but distributed along a 20‐km trajectory from glacial headwaters to ocean in southcentral Alaska, U.S.A. Specifically, we investigated how proximity to glaciers and ocean influenced physical, chemical, and biological characteristics of ponds. Physicochemical patterns along a distance gradient from the ocean supported the hypothesized influence of elevation and potential atmospheric deposition of marine‐derived nitrogen, whereas those related to glacial flow path length may reflect inputs from glacial weathering. We expected that the effects of landscape and hydrology on physicochemical patterns would provide a template for shaping ecosystem processes, but ecosystem processes also appeared to contribute to physicochemical patterns across this landscape. Ponds more heavily influenced by glaciers tended to be more heterotrophic exhibiting greater rates of organic‐matter decomposition and ecosystem respiration, which were positively correlated with phosphorus and iron concentrations likely due to glacial weathering and remineralization processes. In contrast, ponds near the ocean tended to be more autotrophic exhibiting greater gross primary production and net ecosystem production, processes that may have contributed to greater total nitrogen, nitrogen to phosphorus ratios, and dissolved organic carbon concentrations. Consideration of the relative importance of hydrologic inputs across the landscape is needed because the acceleration of glacial melt and sea‐level rise by climate change may alter future broad‐scale patterns of ecosystem processes.
Ecological drivers of multiple facets of beta diversity in a lentic macroinvertebrate metacommunity
Authors: Heino Jani , Tolonen Kimmo T.
Published: April 2017

Community ecology has broadened considerably with the recognition that it is not only at the species‐level data where biological patterns and their determinants should be studied. Rather, also functional and phylogenetic data should be examined, as they may provide important information for both basic ecology and applied fields such as conservation and bioassessment. We thus explored the distance decay of taxonomic, functional, and phylogenetic community compositions along spatial and environmental gradients within a boreal lake metacommunity. We used distance‐based methods (i.e., Mantel test, Mantel correlograms and db‐RDA) to examine different facets (i.e., taxonomic, functional, and phylogenetic) and components (i.e., total, turnover and nestedness‐resultant) in relation to spatial and environmental variables. We found that the species compositions of lake benthic invertebrate communities varied mostly along environmental gradients, but were also weakly related to spatial distances between lakes. We also showed that functional and phylogenetic compositions were solely related to environmental variation across the lakes, but these relationships were generally weak. Our exploration of different facets and components of beta diversity added to the knowledge of lake invertebrate communities by adding functional and phylogenetic views, which has rarely been done in studies of aquatic metacommunities. Such information is also important in valuing lakes for conservation and bioassessment because it is not only at the species‐level data where ecological patterns and underlying mechanisms should be explored.
The influence of particle size on the long‐term electrochemical corrosion behavior of pipeline steel in a corrosive soil environment
Authors: He B. , Bai X. H. , Hou L. F. , Zhang D. C. , Han P. J.
Published: April 2017

In this work, the effect of particle size (0.25, 1.0, 1.5 mm) on the electrochemical corrosion behavior of X70 pipeline steel in a 1.5 wt% NaCl sandy soil corrosion system was investigated by electrochemical techniques including linear polarization resistance, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) in combination with SEM‐EDS surface analysis, and X‐ray diffraction characterization. The laboratory experiments indicated that the corrosion rate of X70 pipeline steel increased with decreasing soil particle size to less than 1.0 mm and was mainly determined by a cathodic reaction. Whereas when the soil particle size increased beyond 1.0 mm, the corrosion rate of X70 steel decreased as the soil particle size decreased and the dominant reaction was metal dissolution in the bulk zone, and the corrosion rate was determined by anodic reaction. Additionally, the results of analysis of the metal surface morphologies agreed with the electrochemical measurements results. Corrosion of X70 pipe steel is affected by particle‐sizes in a corrosive soil environment.
Novel urinary alkylresorcinol metabolites as biomarkers of whole grain intake in free‐living Swedish adults
Authors: Wierzbicka Roksana , Zamaratskaia Galia , Kamal‐Eldin Afaf , Landberg Rikard
Published: April 2017

Scope

Most studies on the role of whole grain for health rely on self‐reported intake data, which are prone to measurement errors. There is a need for dietary biomarkers that can provide an objective measure of intake. Alkylresorcinols (AR) and their main metabolites 3,5‐dihydroxybenzoic acid (DHBA) and 3‐(3,5‐dihydroxyphenyl)‐propanoic acid (DHPPA) have been proposed as biomarkers for whole grain (WG) wheat and rye intake.

Methods and results

The medium‐term reproducibility and relative validity of four putative urinary AR metabolites (3,5‐dihydroxycinnamic acid (DHCA), 5‐(3,5‐dihydroxyphenyl) pentanoic acid (DHPPTA), 2‐(3,5‐dihydroxybenzamido)acetic acid (DHBA‐glycine) and 3,5‐dihydroxycinnamic acid amide (DHCA‐amide)) as biomarkers for WG intake were investigated. Three‐day weighed food records and 24‐h urine samples from two occasions 2–3 months apart were obtained from 69 Swedish adults. WG intake was calculated and urinary AR metabolites were analyzed. The medium‐term reproducibility determined for DHCA, DHPPTA, and DHBA‐glycine varied from moderate‐to‐excellent (intra‐class correlation coefficient = 0.63–0.85). Moreover, DHCA and DHPPTA excretion correlated well with self‐reported total WG intake (r = 0.55, p < 0.001 and r = 0.42, p < 0.001, respectively).

Conclusion

DHCA or DHPPTA excretion in 24‐h urine might be a suitable medium‐ to long‐term biomarker of WG wheat and rye intake. These findings need to be confirmed in populations with low and infrequent WG intake.
Photon‐counting CT for simultaneous imaging of multiple contrast agents in the abdomen: An in vivo study
Authors: Symons Rolf , Krauss Bernhard , Sahbaee Pooyan , Cork Tyler E. , Lakshmanan Manu N. , Bluemke David A. , Pourmorteza Amir
Published: April 2017

Purpose

To demonstrate the feasibility of spectral imaging using photon‐counting detector (PCD) x‐ray computed tomography (CT) for simultaneous material decomposition of three contrast agents in vivo in a large animal model.

Methods

This Institutional Animal Care and Use Committee‐approved study used a canine model. Bismuth subsalicylate was administered orally 24–72 h before imaging. PCD CT was performed during intravenous administration of 40–60 ml gadoterate meglumine; 3.5 min later, iopamidol 370 was injected intravenously. Renal PCD CT images were acquired every 2 s for 5–6 min to capture the wash‐in and wash‐out kinetics of the contrast agents. Least mean squares linear material decomposition was used to calculate the concentrations of contrast agents in the aorta, renal cortex, renal medulla and renal pelvis.

Results

Using reference vials with known concentrations of materials, we computed molar concentrations of the various contrast agents during each phase of CT scanning. Material concentration maps allowed simultaneous quantification of both arterial and delayed renal enhancement in a single CT acquisition. The accuracy of the material decomposition algorithm in a test phantom was −0.4 ± 2.2 mM, 0.3 ± 2.2 mM for iodine and gadolinium solutions, respectively. Peak contrast concentration of gadolinium and iodine in the aorta, renal cortex, and renal medulla were observed 16, 24, and 60 s after the start each injection, respectively.

Conclusion

Photon‐counting spectral CT allowed simultaneous material decomposition of multiple contrast agents in vivo. Besides defining contrast agent concentrations, tissue enhancement at multiple phases was observed in a single CT acquisition, potentially obviating the need for multiphase CT scans and thus reducing radiation dose.
The urinary microbiome and its contribution to lower urinary tract symptoms; ICI‐RS 2015
Authors: Drake Marcus J. , Morris Nicola , Apostolidis Apostolos , Rahnama'i Mohammad S. , Marchesi Julian R.
Published: April 2017

Aims

The microbiome is the term used for the symbiotic microbial colonisation of healthy organs. Studies have found bacterial identifiers within voided urine which is apparently sterile on conventional laboratory culture, and accordingly there may be health and disease implications.

Methods

The International Consultation on Incontinence Research Society (ICI‐RS) established a literature review and expert consensus discussion focussed on the increasing awareness of the urinary microbiome, and potential research priorities.

Results

The consensus considered the discrepancy between findings of conventional clinical microbiology methods, which generally rely on culture parameters predisposed towards certain “expected” organisms. Discrepancy between selective culture and RNA sequencing to study species‐specific 16S ribosomal RNA is increasingly clear, and highlights the possibility that protective or harmful bacteria may be overlooked where microbiological methods are selective. There are now strong signals of the existence of a “core” urinary microbiome for the human urinary tract, particularly emerging with ageing. The consensus reviewed the potential relationship between a patient's microbiome and lower urinary tract dysfunction, whether low‐count bacteriuria may be clinically significant and mechanisms which could associate micro‐organisms with lower urinary tract symptoms.

Conclusions

Key research priorities identified include the need to establish the scope of microbiome across the range of normality and clinical presentations, and gain consensus on testing protocols. Proteomics to study enzymatic and other functions may be necessary, since different bacteria may have overlapping phenotype. Longitudinal studies into risk factors for exposure, cumulative risk, and emergence of disease need to undertaken. Neurourol. Urodynam. 36:850–853, 2017. © 2017 Wiley Periodicals, Inc.
How does lower urinary tract dysfunction (LUTD) affect sexual function in men and women? ICI‐RS 2015—Part 2
Authors: Apostolidis Apostolos , Rantell Angie , Anding Ralf , Kirschner‐Hermanns Ruth , Cardozo Linda
Published: April 2017

AIM

To discuss available data on the links between LUTD and sexual dysfunction, what is still unknown about the causative effect of disease processes on sexual function (SF), and to suggest proposals for further research.

METHODS

At the 2015 International Consultation on Incontinence‐Research Society (ICI‐RS), a multi‐disciplinary group presented a literature search of what is known about the effect of LUTD on SF in men and women. Wider discussions regarding knowledge gaps, and ideal research methodology ensued and are presented.

RESULTS

The underlying mechanisms of the impact of LUTD on SF remain largely unknown. Risk factors for the metabolic syndrome may cause both LUTS and ED in men, and their improvement may improve both conditions. In women, neurovascular changes may be common in LUTD and FSD. Successful LUTS management results in FSD improvement, but the mechanisms are ill understood. Gaps in standardization of sexual dysfunction terminology, variations of assessment, and treatment in clinical practice and research make most studies not comparable. The sensitive knowledge and subjective nature of the problem present challenges and often result in neglecting it.

CONCLUSION

Neurovascular and hormonal factors, but also indirect effects may link LUTD to SD in both sexes, but the evidence is not robust and the mechanisms unclear. There is a need for defining the terminology and standardizing outcomes assessed in clinical trials. The multifactorial nature of SF in both sexes makes trial design challenging and “real world” studies may prove more beneficial for patients’ outcomes and clinicians’ understanding.
The role of male slings in post prostatectomy incontinence: ICI‐RS 2015
Authors: Sahai Arun , Abrams Paul , Dmochowski Roger , Anding Ralf
Published: April 2017

Aims

Post prostatectomy stress urinary incontinence can significantly impact on quality of life and is bothersome for patients. The artificial urinary sphincter is still considered the gold standard surgical treatment. Male slings are an alternative surgical option and several designs are currently available. This review will focus on efficacy, adverse events, and mechanism of action of male slings. The context of this review was a proposal at the ICI‐RS meeting 2015. Following synthesis of the evidence we address the question: does it matter how male slings work?

Methods

The proposal lecture was reviewed and a comprehensive review of the literature undertaken utilising the PubMed database.

Results

Male slings can be broadly divided into adjustable retropubic and suburethral transobturator slings. Male slings are efficacious and can improve quality of life. Adjustable retropubic slings appear to be compressive but studies suggest efficacy can be achieved without voiding dysfunction. Transobturator slings work by urethral compression and/or re‐locating the urethral bulb. There is a recognized failure rate in all sling types and most studies suggest radiotherapy as a risk factor for failure. Adjustable slings have the ability to be altered to optimize continence or to prevent retention of urine. However, there appears to be a higher explantation rate in some of these systems.

Conclusions

It is important to understand how male slings work and by doing so we are more reliably able to choose the appropriate sling, predict outcomes, and as a result counsel patients. Suggestions for future research are proposed.
Deeper Insight into the Six‐Step Domino Reaction of Aldehydes with Malononitrile and Evaluation of Antiviral and Antimalarial Activities of the Obtained Bicyclic Products
Authors: Bock Christina M. , Parameshwarappa Gangajji , Bönisch Simon , Bauer Walter , Hutterer Corina , Leidenberger Maria , Friedrich Oliver , Marschall Manfred , Kappes Barbara , Görling Andreas , Tsogoeva Svetlana B.
Published: April 2017

The straightforward and efficient synthesis of complex aza‐ and carbobicyclic compounds, which are of importance for medicinal chemistry, is a challenge for modern chemical methodology. An unprecedented metal‐free six‐step domino reaction of aldehydes with malononitrile was presented in our previous study to provide, in a single operation, these bicyclic nitrogen‐containing molecules. Presented here is a deeper investigation of this atom‐economical domino process by extending the scope of aldehydes, performing post‐modifications of domino products, applying bifunctional organocatalysts and comprehensive NMR studies of selected domino products. The thermodynamic aspects of the overall reaction are also demonstrated using DFT methods in conjunction with a semi‐empirical treatment of van der Waals interactions. Furthermore, biological studies of seven highly functionalized and artemisinin‐containing domino products against human cytomegalovirus (HCMV) and Plasmodium falciparum 3D7 are presented. Remarkably, in vitro tests against HCMV revealed five domino products to be highly active compounds (EC50 0.071–1.8 μm), outperforming the clinical reference drug ganciclovir (EC50 2.6 μm). Against P. falciparum 3D7, three of the investigated artemisinin‐derived domino products (EC50 0.72–1.8 nm) were more potent than the clinical drug chloroquine (EC50 9.1 nm).
Proteomic‐based investigations on the mode of action of the marine anticancer compound rhizochalinin
Authors: Dyshlovoy Sergey A. , Otte Katharina , Venz Simone , Hauschild Jessica , Junker Heike , Makarieva Tatyana N. , Balabanov Stefan , Alsdorf Winfried H. , Madanchi Ramin , Honecker Friedemann , Bokemeyer Carsten , Stonik Valentin A. , von Amsberg Gunhild
Published: April 2017

Rhizochalinin (Rhiz) is a novel marine natural sphingolipid‐like compound, which shows promising in vitro and in vivo activity in human castration‐resistant prostate cancer. In the present study, a global proteome screening approach was applied to investigate molecular targets and biological processes affected by Rhiz in castration‐resistant prostate cancer. Bioinformatical analysis of the data predicted an antimigratory effect of Rhiz on cancer cells. Validation of proteins involved in the cancer‐associated processes, including cell migration and invasion, revealed downregulation of specific isoforms of stathmin and LASP1, as well as upregulation of Grp75, keratin 81, and precursor IL‐1β by Rhiz. Functional analyses confirmed an antimigratory effect of Rhiz in PC‐3 cells. Additionally, predicted ERK1/2 activation was confirmed by Western blotting analysis, and revealed prosurvival effects in Rhiz‐treated prostate cancer cells indicating a potential mechanism of resistance. A combination of Rhiz with MEK/ERK inhibitors PD98059 (non‐ATP competitive MEK1 inhibitor) and FR180204 (ATP‐competitive ERK1/2 inhibitor) resulted in synergistic effects. This work provides further insights into the molecular mechanisms underlying Rhiz bioactivity. Furthermore, our research is exemplary for the ability of proteomics to predict drug targets and mode of action of natural anticancer agents.
Adolescent girls with asthma have worse asthma control and health‐related quality of life than boys—A population based study
Authors: Stridsman Caroline , Backman Helena , Eklund Britt‐Marie , Rönmark Eva , Hedman Linnea
Published: April 2017

Background

Population‐based studies investigating health‐related quality of life (HRQoL) among asthmatic adolescents are rare. Further, among subjects with asthma, HRQoL may be affected by asthma control and severity.

Aim

To investigate HRQoL in relation to asthma control and asthma severity among adolescents.

Method

As a part of the population‐based OLIN pediatric study, 266 adolescents with current asthma (14‐15 yr) were identified. N = 247 completed the DISABKIDS HRQoL asthma module, including the domains impact and worry. The Asthma Control Test (ACT) was used and a disease severity score was calculated based on symptoms and medicine use.

Results

The prevalence of current asthma was 11%. Well‐controlled asthma was reported by 15% of the adolescents, and 53% had partly controlled asthma. The prevalence of uncontrolled asthma was significantly higher among girls than boys (38% vs 25%), and girls also reported lower HRQoL scores. There was a fairly strong correlation between the ACT and DISABKIDS scores. Independent risk factors for low HRQoL impact (a score <67) were female sex (OR 4.66, 95%CI 1.82‐9.54) and decreased ACT scores (1.38, 1.18‐1.62). Risk factors for low HRQoL worry (a score <70) were female sex (3.33, 1.41‐7.86), decreased ACT scores (1.35, 1.16‐1.57), severe asthma (6.23, 1.46‐16.50), and having current eczema (2.68, 1.00‐7.24).

Conclusion

Only a minority of the asthmatic adolescents reported well‐controlled asthma, and poor asthma control and female sex were risk factors for low HRQoL. Our results demonstrate that evaluation of asthma control is of great importance for asthma management.
What do farmers' weed control decisions imply about glyphosate resistance? Evidence from surveys of US corn fields
Authors: Wechsler Seth J , McFadden Jonathan R , Smith David J
Published: April 2017

BACKGROUND

The first case of glyphosate‐resistant weeds in the United States was documented in 1998, 2 years after the commercialization of genetically engineered herbicide‐resistant (HR) corn and soybeans. Currently, over 15 glyphosate‐resistant weed species affect US crop production areas. These weeds have the potential to reduce yields, increase costs, and lower farm profitability. The objective of our study is to develop a behavioral model of farmers' weed management decisions and use it to analyze weed resistance to glyphosate in US corn farms.

RESULTS

On average, we find that weed control increased US corn yields by 3700 kg ha−1 (worth approximately $US 255 ha−1) in 2005 and 3500 kg ha−1 (worth approximately $US 575 ha−1) in 2010. If glyphosate resistant weeds were absent, glyphosate killed approximately 99% of weeds, on average, when applied at the label rate in HR production systems. Average control was dramatically lower in states where glyphosate resistance was widespread.

CONCLUSION

We find that glyphosate resistance had a significant impact on weed control costs and corn yields of US farmers in 2005 and 2010. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.
Dose reduction and alternatives to the phenol pheromone in monitoring and management of the grass grub Costelytra zealandica
Authors: Harper Aimee R , Unelius C Rikard , Townsend Richard J , Suckling David Maxwell
Published: April 2017

BACKGROUND

Endemic New Zealand grass grub Costelytra zealandica is a pest of introduced pasture that uses phenol as a sex pheromone. The pheromone could be used to monitor and manage grass grub populations, but the irritating properties and toxicity of phenol for human handlers, as well as the possible ecotoxicological effects, pose obstacles to the deployment of the pheromone. This study aimed to limit the use of phenol by dose–response studies and investigation into alternative attractants and synergists to phenol.

RESULTS

No difference in trap catch was seen across the range of 1–100 mg of phenol, while rates below this (0.001–0.1 mg) caused a large drop in catches. Our results indicated that 1 mg loading in lures was enough to indicate beetle presence over 1 week. 4‐Hydroxybenzaldehyde and p‐cresol proved unattractive in this study, both as single attractants and as synergists with phenol. Phenyl acetate, phenyl benzoate and diphenyl carbonate all formed phenol under hydrolytic conditions to act as successful propheromones, while phenyl acetate was found to be as attractive as phenol on its own.

CONCLUSION

This study described several ways to reduce or avoid the use of phenol in the field while maintaining lure effectiveness. © 2017 Society of Chemical Industry
Photon up‐converting (Yb,Er)2O3 thin films by atomic layer deposition
Authors: Tuomisto Minnea , Giedraityte Zivile , Karppinen Maarit , Lastusaari Mika
Published: April 2017

We report up‐converting (Yb,Er)2O3 thin films grown with the atomic layer deposition (ALD) technique. The films are crystalline and show a homogeneous morphology with a roughness less than 1 nm for 40 nm thick films. High‐intensity near‐infrared (NIR) to green and red two‐photon up‐conversion emission is obtained with 974 nm excitation through an absorption by Yb3+, followed by a Yb3+‐Er3+ energy transfer and emission from Er3+. The ALD technique promises to be excellent for producing up‐converting films for many applications such as near‐infrared radiation absorbing layers for solar cells and sensors in point‐of‐care biomedical diagnostics.

Schematic picture of the ALD‐grown (Yb,Er)2O3 thin film including the up‐conversion emission spectra.
Convective initiation uncertainties without trigger or stochasticity: probabilistic description by the Liouville equation and Bayes' theorem
Authors: Yano Jun‐Ichi , Ouchtar Eïda
Published: April 2017

Initiation of atmospheric moist convection is often so sudden and unexpected that it is often presumed that a special mechanism called a ‘trigger’ is required in a ‘stochastic’ manner. This article shows, in contrast, that sudden convective initiation can be induced solely by nonlinearity in the generation rate of kinetic energy by buoyancy, which is always present in a convective system. No additional special mechanism is required. Stochasticity is not an indispensable ingredient either.

The article demonstrates these points by taking a convective energy‐cycle system describing the evolution of a spectrum of convective mass fluxes truncated into a single deep convective mode. Though this system is highly conceptualized, it is realistic enough to adopt directly as a prognostic closure condition for mass‐flux convection parametrization.

By adopting a simple system containing only periodic solutions, furthermore, a simple, important point is made that the prediction uncertainty can grow without any randomness, chaos or irregularity in a given system. Even without any of those elements, the uncertainty for convective initiation increases with time, but associated with a periodic modulation following the convective cycle. These tendencies in the uncertainty growth are shown explicitly by time‐integrating the probability of the convective system using the Liouville equation. Bayes' theorem leads further to the probability for the timing of convective initiation.
Current development of noncollinear electronic structure theory
Authors: Goings Joshua J. , Egidi Franco , Li Xiaosong
Published: April 2017

In this Perspective, we review recent developments in noncollinear electronic structure theory. After a brief historical overview of studies into broken symmetry wave functions, we show that noncollinear wave functions are necessary for studying spin and magnetic phenomena on account of spin‐symmetry breaking terms in the Hamiltonian. Recent developments applying noncollinear electronic structure theory to magnetization dynamics, spin dynamics, and spin‐orbit coupling in excited state properties are showcased. We also discuss some recent developments in noncollinear density functional theory. Finally, we comment on the future of noncollinear electronic structure theory.
Micelles of the chiral biocompatible surfactant (1R,2S)‐dodecyl(2‐hydroxy‐1‐methyl‐2‐phenylethyl)dimethylammonium bromide (DMEB): molecular dynamics and fragmentation patterns in the gas phase
Authors: Bongiorno David , Indelicato Serena , Ceraulo Leopoldo , Perricone Ugo , Calabrese Valentina , Almerico Anna Maria , Turco Liveri Vincenzo , Tutone Marco
Published: April 2017

Rationale

The study of self‐assembly processes of surfactant molecules in the gas phase is of great interest for several theoretical and technological reasons related to their possible exploitation as drug carriers, protein shields and cleaning agents in the gas phase.

Methods

The stability and fragmentation patterns of singly and multiply charged (either positively or negatively) aggregates of the surfactant (1R,2S)‐dodecyl(2‐hydroxy‐1‐methyl‐2‐phenylethyl)dimethyl ammonium bromide (DMEB) in the gas phase have been studied by ion mobility mass spectrometry and tandem mass spectrometry. Molecular dynamics (MD) simulations of positively and negatively singly and multiply charged DMEB aggregates have been performed to obtain structural and energetics information. Finally, in order to ascertain some clues on the DMEB growth mechanism, quantum mechanics calculations were carried out.

Results

It has been evidenced that positively and negatively singly charged aggregates at low collision energy decompose preferentially by loss of only one DMEB molecule. Increasing the collision energy, the loss of neutrals becomes increasingly abundant. Multiply charged DMEB aggregates are unstable and decompose forming singly charged monomers or dimers. MD simulations show reverse micelle‐like structures with polar heads somewhat segregated into the aggregate interior. Finally, a good correlation between experimental and calculated collisional cross sections (CCS) was found.

Conclusions

The fragmentation pathways of DMEB charged species evidenced for singly charged aggregates exhibit features similar to that of other detergent aggregates, but multiply charged aggregates showed a system‐specific behavior. QM calculations on the optimized structures (21+, 31+, 11– and 21–) indicate that the most determinant interactions are due to an OH‐‐‐Br hydrogen bonding that is also involved in the link between monomeric DMEB units. The MD models gave CCS values in good agreement with experimental ones, evidenced by a less strict reverse micelle‐like structure and a reasonably spread bromine anion distribution Copyright © 2017 John Wiley & Sons, Ltd.
Polarizable force field development for lipids and their efficient applications in membrane proteins
Authors: Chu Huiying , Cao Liaoran , Peng Xiangda , Li Guohui
Published: April 2017

Polarizable force fields have been developed due to the intrinsic problem of additive force fields in modeling electrostatic interactions. Because of the capability to accurately describe the behavior of systems with significant changes in their electrostatic environments, polarizable force fields might be a decent tool to study membrane‐related systems, such as lipid bilayers, though not so much progresses have been made. In this overview article we described the developments of a variety of polarizable force fields, including the corresponding theories, benchmark examples, and more specifically we were focused on the applications on lipid membranes. WIREs Comput Mol Sci 2017, 7:e1312. doi: 10.1002/wcms.1312

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics
Philip Pullman
Authors: Butler Catherine
Published: April 2017

Philip Pullman's His Dark Materials trilogy is a worldwide classic of modern literature for both children and adults. Challenging in its intellectual scope, ambitious scale and range of literary reference, it is also hugely controversial due to its critique of organised religion.

This collection of original essays by an international team of distinguished scholars assesses Pullman's achievement and introduces readers to some of the key debates surrounding His Dark Materials. Covering topics such as religion, gender, childhood and scientific enquiry, the volume also discusses the Hollywood film of the first book and features a new interview with Pullman himself.
Markov Decision Process Measurement Model
Authors: LaMar Michelle M.
Published: April 2017

Within-task actions can provide additional information on student competencies but are challenging to model. This paper explores the potential of using a cognitive model for decision making, the Markov decision process, to provide a mapping between within-task actions and latent traits of interest. Psychometric properties of the model are explored, and simulation studies report on parameter recovery within the context of a simple strategy game. The model is then applied to empirical data from an educational game. Estimates from the model are found to correlate more strongly with posttest results than a partial-credit IRT model based on outcome data alone.
Indwelling Urinary Catheters: A Pathway to Health Care‐Associated Infections
Authors: Clayton Judith L.
Published: April 2017

When a urinary catheter is not inserted using proper technique, becomes unclean, or remains in place for too long, microorganisms can travel through the catheter lumen or along the outside of the catheter and infect the bladder or kidneys, resulting in a catheter‐associated urinary tract infection (CAUTI). Urinary tract infections resulting from catheter use are one of the most common health care–associated infections. The insertion of a urinary catheter is considered to be routine care. Improving practices of placement and removal of urinary catheters requires education aimed at changing the habits of nurses and physicians. Clinicians should follow evidence‐based guidelines, including using aseptic technique for site preparation and supplies and limiting use and duration of the placement of urinary catheters. Perioperative personnel need to be aware of the risks of catheterization and take steps to prevent CAUTIs. This article discusses CAUTIs, including causes and strategies for prevention.
Postoperative Distress of Orthopedic Ambulatory Surgery Patients
Authors: Odom‐Forren Jan , Reed Deborah B. , Rush Carrell
Published: April 2017

Patients who undergo orthopedic ambulatory surgery have reported high levels of symptom distress during recovery at home. Content analysis of this qualitative descriptive study identified techniques of symptom management that effectively reduce postoperative symptom distress after orthopedic ambulatory surgery and provided insight into facilitators and barriers to postsurgery self‐management. Focus groups consisted of 19 patients and caregivers recruited from a university orthopedic surgery office. The authors identified the common themes as distressing symptoms and consequences of surgery, management of symptoms, and self‐management facilitators and barriers. Participants in our study noted the lack of continuity of care after discharge and wanted to know the realities of symptoms and receive more detailed information from care providers on how to self‐manage symptoms. Nurses involved in the care of these patients should focus not only on short‐term recovery, but on preparing patients to manage sustained recovery issues at home.
Different yet similar? Prisoners versus psychiatric patients – A comparison of their mental health
Authors: Otte S. , Vasic N. , Nigel S. , Streb J. , Ross T. , Spitzer C. , Grabe H.J. , Dudeck M.
Published: April 2017

Background:

Previous research indicates that prisoners have severe psychological distress. To assess their distress level and potential need for treatment, the present study compared the subjective psychological distress of long- and short-term prisoners with that of psychiatric and forensic patients.

Methods:

Long- (n = 98) and short-term prisoners (n = 94) and forensic (n = 102) and psychiatric (n = 199) patients completed the German versions of the Symptom Checklist Revised (SCL-90-R) and Brief Symptom Inventory (BSI).

Results:

In general, long-term prisoners showed the same level of mental distress as psychiatric patients and more than that reported by forensic patients. Short-term prisoners reported the least level of distress. Long- but not short-term prisoners showed clinically significant results on the scales for depression, paranoid ideation, and psychosis.

Conclusions:

The improvements in psychiatric treatment for inmates demanded by many stakeholders need to differentiate between long- and short-term prisoners. Because depression seems to cause the most psychological distress among inmates, suicide prevention seems to be an important issue in prisons.
Social studies instruction for students with mild disabilities: An (updated) progress report
Authors: Lintner Timothy , Kumpiene Gerda
Published: April 2017

Over the past two decades, there has been a marked increase in the number of students with mild disabilities who receive social studies instruction in the general education classroom. This research uses the seminal 1994 Passe and Beattie study as a comparative referent to examine current instructional strategies used to teach such students. The current study sought to answer: What instructional practices do contemporary general educators use to teach social studies to students with disabilities? And have these practices changed in twenty-years? Comparative and comparison results are provided with suggestions to differentiate social studies instruction to meet the learning needs of students with mild disabilities.
Sonic methods for measuring crystal orientation fabric in ice, and results from the West Antarctic ice sheet (WAIS) Divide
Authors: KLUSKIEWICZ DAN , WADDINGTON EDWIN D. , ANANDAKRISHNAN SRIDHAR , VOIGT DONALD E. , MATSUOKA KENICHI , McCARTHY MICHAEL P.
Published: April 2017

We describe methods for measuring crystal orientation fabric with sonic waves in an ice core borehole, with special attention paid to vertical-girdle fabrics that are prevalent at the WAIS Divide. The speed of vertically propagating compressional waves in ice is influenced by vertical clustering of the ice crystal c-axes. Shear-wave speeds – particularly the speed separation between fast and slow shear polarizations – are sensitive to azimuthal anisotropy. Sonic data from the WAIS Divide complement thin-section measurements of fabric. Thin sections show a steady transition to strong girdle fabrics in the upper 2000 m of ice, followed by a transition to vertical-pole fabrics below 2500 m depth. Compressional-wave sonic data are inconclusive in the upper ice, due to noise, as well as the method's inherent insensitivity to girdle fabrics. Compared with available thin sections, sonic data provide better resolution of the transition to pole fabrics below 2500 m, notably including an abrupt increase in vertical clustering near 3000 m. Our compressional-wave measurements resolve fabric changes occurring over depth ranges of a few meters that cannot be inferred from available thin sections, but are sensitive only to zenithal anisotropy. Future logging tools should be designed to measure shear waves in addition to compressional waves, especially for logging in regions where ice flow patterns favor the development of girdle fabrics.
PKS 1954–388: RadioAstron Detection on 80,000 km Baselines and Multiwavelength Observations
Authors: Edwards P. G. , Kovalev Y. Y. , Ojha R. , An H. , Bignall H. , Carpenter B. , Hovatta T. , Stevens J. , Voytsik P. , Andrianov A.S. , Dutka M. , Hase H. , Horiuchi S. , Jauncey D. L. , Kadler M. , Lisakov M. , Lovell J. E. J. , McCallum J. , Müller C. , Phillips C. , Plötz C. , Quick J. , Reynolds C. , Schulz R. , Sokolovsky K. V. , Tzioumis A. K. , Zuga V.
Published: April 2017

We present results from a multiwavelength study of the blazar PKS 1954–388 at radio, UV, X-ray, and gamma-ray energies. A RadioAstron observation at 1.66 GHz in June 2012 resulted in the detection of interferometric fringes on baselines of 6.2 Earth-diameters. This suggests a source frame brightness temperature of greater than 2 × 1012 K, well in excess of both equipartition and inverse Compton limits and implying the existence of Doppler boosting in the core. An 8.4-GHz TANAMI VLBI image, made less than a month after the RadioAstron observations, is consistent with a previously reported superluminal motion for a jet component. Flux density monitoring with the Australia Telescope Compact Array confirms previous evidence for long-term variability that increases with observing frequency. A search for more rapid variability revealed no evidence for significant day-scale flux density variation. The ATCA light-curve reveals a strong radio flare beginning in late 2013, which peaks higher, and earlier, at higher frequencies. Comparison with the Fermi gamma-ray light-curve indicates this followed ~ 9 months after the start of a prolonged gamma-ray high-state—a radio lag comparable to that seen in other blazars. The multiwavelength data are combined to derive a Spectral Energy Distribution, which is fitted by a one-zone synchrotron-self-Compton (SSC) model with the addition of external Compton (EC) emission.
Risk factors for prelacteal feeding in sub-Saharan Africa: a multilevel analysis of population data from twenty-two countries
Authors: Berde Anselm S , Ozcebe Hilal
Published: April 2017

Objective

To examine the risk factors of prelacteal feeding (PLF) among mothers in sub-Saharan Africa (SSA).

Design

We pooled data from Demographic and Health Surveys in twenty-two SSA countries. The key outcome variable was PLF. A multilevel logistic regression model was used to explore factors associated with PLF.

Setting

Demographic and Health Surveys in twenty-two SSA countries.

Subjects

Mother–baby pairs (n 95348).

Results

Prevalence of PLF in SSA was 32·2 %. Plain water (22·1 %), milk other than breast milk (5·0 %) and sugar or glucose water (4·1 %) were the predominant prelacteal feeds. In the multivariable analysis, mothers who had caesarean section delivery had 2·25 times the odds of giving prelacteal feeds compared with mothers who had spontaneous vaginal delivery (adjusted OR=2·25; 95 % CI 2·06, 2·46). Other factors that were significantly associated with increased likelihood of PLF were mother’s lower educational status, first birth rank, fourth or above birth rank with preceding birth interval less than or equal to 24 months, lower number of antenatal care visits, home delivery, multiple birth, male infant, as well as having an average or small sized baby at birth. Mothers aged 20–34 years were less likely to give prelacteal feeds compared with mothers aged ≤19 years. Belonging to the second, middle or fourth wealth quintile was associated with lower likelihood of PLF compared with the highest quintile.

Conclusions

To achieve optimal breast-feeding, there is a need to discourage breast-feeding practices such as PLF. Breast-feeding promotion programmes should target the at-risk sub-population groups discovered in our study.
NETWORK DESIGN FOR MINIMUM SPANNING TREES UNDER HAMMING DISTANCE
Authors: WANG QIN , WU LONGSHU
Published: April 2017

We consider a class of network-design problems with minimum sum of modification and network costs for minimum spanning trees under Hamming distance. By constructing three auxiliary networks, we present a strongly polynomial-time algorithm for this problem. The method can be applied to solve many network-design problems. And, we show that a variation model of this problem is NP-hard, even when the underlying network is a tree, by transforming the 0–1 knapsack problem to this model.
Legal and organisational innovation in the Italian pharmacy system: commercial vs public interest
Authors: Santuari Alceste
Published: April 2017

Pharmacy services are undoubtedly an important part of primary care. Pharmacists are entrepreneurs and simultaneously they are entrusted with a public mission in the health care sector. Pharmacies then reflect a contrast between a commercial/economic objective and public interest, which is to be identified with citizens’ universal right to health care services. This is the reason why in Italy, as in many other EU countries, pharmacies supply their services according to a prior authorisation granted by public authorities. In common with many EU countries, this authorisation is secured according to a demographic criterion. It is only by means of these licensed pharmacies that citizens can buy drugs under medical prescription. Accordingly, the health system is to be driven by public interest, which has yet to prove how competing interests may be regulated in serving health needs. In the light of EU law, the article advocates for an innovative legal and organisational tool whereby to organise the Italian pharmacy system in order to combine economic consideration and public benefit.
Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries
Authors: Li Wangda , Dolocan Andrei , Oh Pilgun , Celio Hugo , Park Suhyeon , Cho Jaephil , Manthiram Arumugam
Published: April 2017

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.
Fundamental limits of repeaterless quantum communications
Authors: Pirandola Stefano , Laurenza Riccardo , Ottaviani Carlo , Banchi Leonardo
Published: April 2017

Quantum communications promises reliable transmission of quantum information, efficient distribution of entanglement and generation of completely secure keys. For all these tasks, we need to determine the optimal point-to-point rates that are achievable by two remote parties at the ends of a quantum channel, without restrictions on their local operations and classical communication, which can be unlimited and two-way. These two-way assisted capacities represent the ultimate rates that are reachable without quantum repeaters. Here, by constructing an upper bound based on the relative entropy of entanglement and devising a dimension-independent technique dubbed ‘teleportation stretching’, we establish these capacities for many fundamental channels, namely bosonic lossy channels, quantum-limited amplifiers, dephasing and erasure channels in arbitrary dimension. In particular, we exactly determine the fundamental rate-loss tradeoff affecting any protocol of quantum key distribution. Our findings set the limits of point-to-point quantum communications and provide precise and general benchmarks for quantum repeaters.
Programming mRNA decay to modulate synthetic circuit resource allocation
Authors: Venturelli Ophelia S. , Tei Mika , Bauer Stefan , Chan Leanne Jade G. , Petzold Christopher J. , Arkin Adam P
Published: April 2017

Synthetic circuits embedded in host cells compete with cellular processes for limited intracellular resources. Here we show how funnelling of cellular resources, after global transcriptome degradation by the sequence-dependent endoribonuclease MazF, to a synthetic circuit can increase production. Target genes are protected from MazF activity by recoding the gene sequence to eliminate recognition sites, while preserving the amino acid sequence. The expression of a protected fluorescent reporter and flux of a high-value metabolite are significantly enhanced using this genome-scale control strategy. Proteomics measurements discover a host factor in need of protection to improve resource redistribution activity. A computational model demonstrates that the MazF mRNA-decay feedback loop enables proportional control of MazF in an optimal operating regime. Transcriptional profiling of MazF-induced cells elucidates the dynamic shifts in transcript abundance and discovers regulatory design elements. Altogether, our results suggest that manipulation of cellular resource allocation is a key control parameter for synthetic circuit design.
Multifunctionality of silver closo-boranes
Authors: Paskevicius Mark , Hansen Bjarne R. S. , Jørgensen Mathias , Richter Bo , Jensen Torben R.
Published: April 2017

Silver compounds share a rich history in technical applications including photography, catalysis, photocatalysis, cloud seeding and as antimicrobial agents. Here we present a class of silver compounds (Ag2B10H10 and Ag2B12H12) that are semiconductors with a bandgap at 2.3 eV in the green visible light spectrum. The silver boranes have extremely high ion conductivity and dynamic-anion facilitated Ag+ migration is suggested based on the structural model. The ion conductivity is enhanced more than two orders of magnitude at room temperature (up to 3.2 mS cm−1) by substitution with AgI to form new compounds. Furthermore, the closo-boranes show extremely fast silver nano-filament growth when excited by electrons during transmission electron microscope investigations. Ag nano-filaments can also be reabsorbed back into Ag2B12H12. These interesting properties demonstrate the multifunctionality of silver closo-boranes and open up avenues in a wide range of fields including photocatalysis, solid state ionics and nano-wire production.