bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insight into Protein Conformation and Subcharging by DMSO from Native Ion Mobility Mass Spectrometry
Authors: Chan Daniel Shiu‐Hin , Matak‐Vinković Dijana , Coyne Anthony G. , Abell Chris 
Published: November 2016

AbstractElectrospray ionization‐mass spectrometry (ESI‐MS) interfaced with ion‐mobility (IM) spectrometry has enabled the study of protein structure and interactions under native‐like conditions. In biological assays, dimethyl sulfoxide (DMSO) is often included as a co‐solvent to dissolve organic molecules. While low levels of DMSO are known to reduce the charge of protein ions generated by ESI, the exact mechanism by which this occurs has been debated. In this study, we describe the first application of IM–MS to study the effect of DMSO subcharging on native protein conformation. We find that at low concentrations, DMSO induces modest (1‐2 %), but repeatable, reductions in protein collision‐cross sections (CCSs) of four different protein complexes, avidin, concanavalin A, alcohol dehydrogenase, and pyruvate kinase, as measured by traveling‐wave (TW) IM–MS. Individual protein charge states also experienced compaction in size, suggesting that this effect could not be attributed to the shift of charge state distribution by DMSO alone.
Complexity in a Systems Engineering Organization: An Empirical Case Study
Authors: Gilbert Dawn , Yearworth Mike 
Published: November 2016

ABSTRACTSystems Engineering development projects often fail to meet delivery expectations in terms of timescales and cost. Project plans, which set cost and deadline expectations, are produced and monitored within a reductionist paradigm, incorporating a deterministic view of cause and effect. This assumes that the cumulative activities and their corresponding durations that comprise the developed solution can be known in advance, and that monitoring and management intervention can ensure satisfactory delivery of an adequate solution, through implementation of this plan.This paper presents a case study that examines the Systems Engineering function within a Thales UK business line. The focus is the organization. The research is exploratory. It gathers evidence through participant‐observation, interviews, documentation, and archival records. It considers two perspectives, a ‘traditional’ predominantly reductionist perspective, and a novel Complex Adaptive System (CAS) perspective. Evidence is analyzed in light of both perspectives to consider how each is able to explain the observations.Research that considers an organization as a CAS is predominately theoretical, rather than empirical. This paper contributes by viewing a systems engineering development organisation as a CAS, and considering the novel insights this perspective brings to the issue of satisfactory project delivery.
Implementation and analysis of spectral subtraction in deterministic wide‐band anti‐jamming scenarios
Authors: Collins Travis , Anderson Christopher , Wyglinski Alexander 
Published: November 2016

AbstractIn this paper, we propose an approach for mitigating deterministic and partially deterministic jamming signals from the received signal space, thus yielding recoverable signal vectors at a target receiver. Aimed at friendly or self‐jamming environments, where enemy communication jamming is paramount. The proposed approach employs a concept calledspectral subtraction, where one or more known signals can be removed from the received signal space via the subtraction of their spectral characteristics from the received composite signal. Although spectral subtraction is used in a variety of speech communication scenarios, it has not been extensively employed in wireless applications because of several practical challenges, such as achieving both sufficient time alignment and accurate waveform characterization of the signal to be removed. In order to assess these challenges, as well as analyze the potential benefits of the proposed approach, validation was performed using actual over‐the‐air experimentation using software‐defined radio technology. The feasibility study of the proposed approach for achieving sufficient signal removal was examined for a constrained operating scenario, and experimental results show that spectral subtraction can be achieved in a physical transmission environment. Although physical simulations were limited, they provide baseline results for a previously untested method of jammer suppression. Copyright © 2016 John Wiley & Sons, Ltd.
Challenges in large scale quantum mechanical calculations
Authors: Ratcliff Laura E. , Mohr Stephan , Huhs Georg , Deutsch Thierry , Masella Michel , Genovese Luigi 
Published: November 2016

During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles calculations of systems containing up to a few hundred atoms have become a standard in many branches of science. The sizes of the systems which can be simulated have increased even further during recent years, and quantum‐mechanical calculations of systems up to many thousands of atoms are nowadays possible. This opens up new appealing possibilities, in particular for interdisciplinary work, bridging together communities of different needs and sensibilities. In this review we will present the current status of this topic, and will also give an outlook on the vast multitude of applications, challenges, and opportunities stimulated by electronic structure calculations, making this field an important working tool and bringing together researchers of many different domains. WIREs Comput Mol Sci 2017, 7:e1290. doi: 10.1002/wcms.1290This article is categorized under:

Structure and Mechanism > Computational Materials Science
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Electronic Structure Theory > Density Functional Theory
Integrated Geo-Microbial and Trace Metal Anomalies for Detection of Hydrocarbon Microseepage in Ahmedabad Block of Cambay Basin, India
Authors: Rasheed M. A. , Rao P. L. Srinivasa , Boruah Annapurna , Hasan Syed Zaheer , Seddik Bougi Mohamoud Mohamed , Pandey Disha , Harinarayana T. 
Published: November 2016

Abstract:
The aim of the present work is to define the geo-microbial signatures along with trace metals, and to investigate whether the geo-microbial anomalies have correlation with trace metal anomalies in Ahmedabad block of Cambay basin. The surface geochemical techniques are based on seepage of light hydrocarbon gases from the oil and gas pools to the shallow surface and can bring up near-surface oxidation reduction zones that favor the development of a diverse array of chemical and mineralogical changes. The paper reports the role of hydrocarbon microseepage in surface alterations of trace metal concentrations and hydrocarbon oxidizing bacteria and its interrelationship. For the purpose a total of 90 soil samples are collected in grid pattern of 2 x 2 km interval. The paper reports the chemical alterations associated with trace metals in soils that are related to hydrocarbon microseepages above some of the major oil and gas fields of this petroliferous region. The concentrations of V (0 to149 ppm), Cr (2 to 192 ppm), Cu (4 to 171 ppm), Se (98 to 440 ppm), Zn (56 to 1215 ppm) are obtained. It is observed that the concentrations of trace elements are tremendously increased when they are compared with their normal concentrations in soils. In this study the hydrocarbon oxidizing bacterial counts ranged between 1.0 x 103 and 1.59 x 106 cfu/g of soil sample respectively. The attempt has made for the first time, which revealed good correlation as both these anomalies are found as apical in relation. Integrated studies between trace elements and hydrocarbon oxidizing bacterial anomalies showed positive correlation with existing oil and gas wells in the study area.
Provenance and Weathering History of the Maastrichtian Shale Member of the Patti Formation, Southern Bida Basin, Nigeria
Authors: Ojo O. J. , Babatunde F. R. , Adepoju S. A. , Akande S. O. , Momoh A. 
Published: November 2016

Abstract:
The present study is focused on the geochemical characterization and provenance of the shale member of the Maastrichtian Patti Formation which is well represented at the centre of the southern Bida Basin in Nigeria. The major element composition of the studied shales and clays compare favourably with the reference shales, however, the trace elements vary slightly. Application of binary plot of TiO2 versus Al2O3 and Al2O3/TiO2 ratios of the studied shale samples show mixed mafic to felsic igneous sources. The chemical composition (plot of SiO2 versus Log (K2O/Na2O) indicates active to passive continental margin province, however, a minor derivation from recycled provenance is probable. Intense chemical weathering based on the high values of Chemical Index Alteration (CIA), Chemical Index of Weathering (CIW) and Zr values obtained from the shale and clay samples a warm humid condition is suggested. The high values also probably suggest predominance of clay minerals and low feldspar. This is supported by the XRD (X-Ray Diffractometer) data which indicates predominance of kaolinite in the samples.
A Comprehensive Study of Costs Associated With Recurrent Clostridium difficile Infection
Authors: Rodrigues Rodrigo , Barber Grant E. , Ananthakrishnan Ashwin N. 
Published: November 2016

BACKGROUNDClostridium difficile infection (CDI) is the most common healthcare-associated infection and is associated with considerable morbidity. Recurrent CDI is a key contributing factor to this morbidity. Despite an estimated 83,000 recurrences annually in the United States, there are few accurate estimates of costs associated with recurrent CDI.OBJECTIVEWe performed this study (1) to identify the health consequences of recurrent CDI including need for repeat hospitalization, intensive care unit (ICU) stay, and surgery; (2) to determine costs associated with recurrent CDI and identify determinants of such costs; and (3) to compare the outcomes and costs of recurrent CDI to those who develop reinfection.METHODSWe identified all patients with confirmed recurrent CDI between January to December 2013 at a single referral center. Healthcare burden associated with recurrence including diagnostic testing, pharmacologic treatment, and inpatient and outpatient healthcare visits were identified in the 12 months following the first recurrence. Total healthcare costs were calculated, and the predictors of high healthcare utilization were identified.RESULTSOur study population included 98 patients with recurrent CDI. The median interval between the initial infection and recurrence was 37 days. The mean age of the cohort was 67 years, two-thirds were women (62%), and the mean Charlson index was 8.6. During the year following the first recurrence of CDI, each patient underwent a mean of 4.4 stool C. difficile toxin tests and received a mean of 2.5 prescriptions for oral vancomycin (range, 0–6). Most patients (84%) with recurrence had a CDI-related hospitalization, and 6% underwent colectomy. The mean total CDI-associated cost was $34,104 per patient, with hospitalization costs accounting for 68%, surgery 20%, and drug treatment 8% of this cost, respectively. Extrapolating to the United States overall, we estimate an annual cost of $2.8 billion related to recurrent CDI.CONCLUSIONRecurrent CDI is associated with considerable morbidity and cost.Infect Control Hosp Epidemiol 2017;38:196–202
The influence of knowledge networks on a firm’s innovative performance
Authors: Fang Shih-Chieh , Wang Ming-Chao , Chen Pei-Chen 
Published: November 2016

AbstractThis paper explores the concept of knowledge networks in order to disclose how firms are able to increase innovative performance as a result of network structure and network content, which concern how firms connect with network partners (network structure), what the essence of exchange is for firms to acquire knowledge in the network (knowledge heterogeneity), and why firms need to cooperate with others (knowledge cognition). By using a sample of 144 high-technology firms in Taiwan’s science parks to test the hypotheses, the results of this study show that, while network structures do impact on a firm’s innovative performance, access to heterogeneous knowledge and increasing a firm’s knowledge in terms of defining and recognizing novel knowledge should be considered, since both play critical roles in facilitating innovative performance. These findings suggest that knowledge flow through a firm’s relationships must be understood in terms of network structure and content.
GIS of thechoraof Cyrene: fortifications and Christian buildings in Late Antiquity
Authors: Abdalrahim Sheriff Saad A. , Farag Abdel Hati S. , Antonelli Sonia , Menozzi Oliva , Petraccia Veronica , Somma Maria Carla 
Published: November 2016

AbstractThe project of mapping thechoraof Cyrene, for the team of Chieti University, started between 1999 and 2001 as a layer of a ‘macro-GIS’ of the area to the east of Cyrene, that is, the transect between Cyrene and El-Gubba/Qubbah. Because of the large scale of the area and the monumentality of the sites, the team is composed of several research units based around a large number of scholars and technicians. The project employs a suite of traditional methodologies for the study of landscape archaeology (surveys, GIS mapping, differential GPS, excavations), in combination with technologies integrating the knowledge of the territory (remote sensing on HD satellite photos, geomorphological reconstruction, laser scanning, archaeometric analysis, non-invasive geophysical prospection and infrared diagnostic analysis). The large quantity of data coming from this wide approach has been organised into a flexible and multilayer GIS. A joint team of Libyan and Italian archaeologists and technicians is testing a common protocol for monitoring the monuments and sites in the territory, using surveys and remote sensing analysis, which has intensified during these problematic periods, and regularly analysing satellite sets over the past four years.The project aims to map and document as much as possible in this territory, to identify the location of the region's so-called ‘minor sites’, which are numerous and almost unknown. They were, from the Late Classical to the Islamic periods, vital sites for the management of the local economy. This paper presents the main issues relating to settlements and sites in Late Antiquity, concentrating mainly on fortifications along thelimesand basilicas within the area of the transect. Moreover, in the presentation of the data, the GIS approach has been integrated here with data coming both from the remote sensing and from more traditional research approaches, such as planimetrical and typological analysis of the buildings, study of the sources and detailed mapping of the building techniques.
The Lepcitanian landscape across the ages: the survey between Ras el-Mergheb and Ras el-Hammam (2007, 2009, 2013)
Authors: Munzi Massimiliano , Felici Fabrizio , Matoug Jabar , Sjöström Isabella , Zocchi Andrea 
Published: November 2016

AbstractSince 2007, the Archaeological Mission of Roma Tre University has conducted surveys in the territory of Lepcis Magna, in a peri-urban area between Ras el-Mergheb and Ras el-Hammam. To date, 168 sites have been surveyed. From the analysis of this data collection can be drawn a synthesis of the landscape's evolution from the Hellenistic to the end of the Ottoman period (including the analysis of battlefields and military structures related to the Italo-Turkish War and World War I). As elsewhere in Tripolitania, the Roman productive and settlement system was based on thevillaeand farms withtorculariafor olive (and wine) production. However, the ancient suburban landscape was here characterised by local limestone quarry activities and funerary monuments, the research on which has given significant new data. The Late Antique and medieval periods, with their conjunctures of growth and contraction, as well as the Karamanli/Ottoman phase have been analysed for their agricultural peculiarities and forms of settlement. The Late Antique and medieval defensive system (gsur, the Ras el-Hammam and Ras el-Mergheb castles) and the Ottoman religious landscape (marabouts or ‘shrines’, today almost completely demolished) have also been taken into consideration.
Long-term effects of pre-pubertal fluoxetine on behaviour and monoaminergic stress response in stress-sensitive rats
Authors: Badenhorst Nico Johan , Brand Linda , Harvey Brian Herbert , Ellis Susanna Maria , Brink Christiaan Beyers 
Published: November 2016

ObjectiveAlthough prescription rates of antidepressants for children and adolescents have increased, concerns have been raised regarding effects on neurodevelopment and long-term outcome. Using a genetic animal model of depression, this study investigated the long-term effects of pre-pubertal administration of fluoxetine (FLX) on depressive-like behaviour in early adulthood, as well as on central monoaminergic response to an acute stressor. We postulated that pre-pubertal FLX will have lasting effects on animal behaviour and monoaminergic stress responses in early adulthood.MethodsFlinders sensitive line (FSL) rats received 10 mg/kg/day FLX subcutaneously from postnatal day 21 (PnD21) to PnD34 (pre-pubertal). Thereafter, following normal housing, rats were either subjected to locomotor testing and the forced swim test (FST) on PnD60 (early adulthood), or underwent surgery for microdialysis, followed on PnD60 by exposure to acute swim stress and measurement of stressor-induced changes in plasma corticosterone and pre-frontal cortical monoamine concentrations.ResultsPre-pubertal FLX did not induce a late emergent effect on immobility in FSL rats on PnD60, whereas locomotor activity was significantly decreased. Acute swim stress on PnD60 significantly increased plasma corticosterone levels, and increased pre-frontal cortical norepinephrine (NE) and 5-hydroxyindole-3-acetic acid (5-HIAA) concentrations. Pre-pubertal FLX significantly blunted the pre-frontal cortical NE and 5-HIAA response following swim stress on PnD60. Baseline dopamine levels were significantly enhanced by pre-pubertal FLX, but no further changes were induced by swim stress.ConclusionPre-pubertal FLX did not have lasting antidepressant-like behavioural effects in genetically susceptible, stress-sensitive FSL rats. However, such treatment reduced locomotor activity, abrogated noradrenergic and serotonergic stressor responses and elevated dopaminergic baseline levels in adulthood.
The formulation of the essential oil ofPiper aduncumLinnaeus (Piperales: Piperaceae) increases its efficacy as an insect repellent
Authors: Mamood S.N.H. , Hidayatulfathi O. , Budin S.B. , Ahmad Rohi G. , Zulfakar M.H. 
Published: November 2016

AbstractThe essential oil (EO) ofPiper aduncumLinnaeus, known as ‘sireh lada’ to locals Malaysian, has the potential to be used as an alternative to synthetic insect repellents such as N,N-diethyl-meta-toluamide. However, the EO's efficacy as a repellent decreases after application due to the high volatility of its active ingredients. A number of studies have showed that optimizing the formulation of plant-based EOs can improve their efficacy as repellents. The present study sought to evaluate the effectiveness of 10%P. aduncumEO in ethanol and in three different semisolid formulations: ointment, cream and gel. These formulations were tested onAedes aegyptiunder laboratory conditions. Each formulation was applied to the subject's hands, which were then inserted into a cage containing 25 nulliparousA. aegypti.The number of mosquitoes landing on or biting each subject's hand was recorded, and the repellency percentage, landing/biting percentage and protection time for each of the formulations were compared. There were no statistically significant differences between the semisolid EO formulations with regards to the repellency percentage and the landing/biting percentage at 4 h post-application. All three semisolid EO formulations were able to repel >65% of theA. aegyptiat 4 h post-application. The EO ointment formulation provided a protection time (182.5 ± 16.01 min) that was statistically significantly longer than that associated with the EO gel formulation (97.5 ± 14.93 min). Meanwhile, the EO cream formulation provided a protection time of 162.5 ± 6.29 min. As the EO cream and ointment formulations displayed better repellent properties than the EO gel formulation, they appear to be the most promisingP. aduncumEO formulations to be developed and commercialized as alternatives to synthetic repellents.
Predator performance is impaired by the presence of a second prey species
Authors: Lima D.B. , Oliveira H.K.V. , Melo J.W.S. , Gondim M.G.C. , Sabelis M. , Pallini A. , Janssen A. 
Published: November 2016

AbstractThe simultaneous infestation of a plant by several species of herbivores may affect the attractiveness of plants to the natural enemies of one of the herbivores. We studied the effect of coconut fruits infested by the pestsAceria guerreronisandSteneotarsonemus concavuscutum, which are generally found together under the coconut perianth. The predatory miteNeoseiulus barakiproduced lower numbers of offspring on fruits infested withS. concavuscutumand on fruits infested with both prey than on fruits withA. guerreronisonly. The predators were attracted by odours emanating from coconuts withA. guerreronis, but not by odours from coconuts withS. concavuscutum, even whenA. guerreroniswere present on the same fruit. FewerN. barakiwere recaptured on fruits with both prey or withS. concavuscutumthan on fruits with onlyA. guerreronis. Furthermore, the quality ofA. guerreronisfrom singly and multiply infested coconuts as food forN. barakidid not differ. Concluding, our results suggest thatN. barakidoes not perform well whenS. concavuscutumis present on the coconuts, and the control ofA. guerreronisbyN. barakimay be negatively affected by the presence ofS. concavuscutum.
Novel microsatellite markers for the oriental fruit mothGrapholita molesta(Lepidoptera: Tortricidae) and effects of null alleles on population genetics analyses
Authors: Song W. , Cao L.-J. , Wang Y.-Z. , Li B.-Y. , Wei S.-J. 
Published: November 2016

AbstractThe oriental fruit moth (OFM)Grapholita molesta(Lepidoptera: Tortricidae) is an important economic pest of stone and pome fruits worldwide. We sequenced the OFM genome using next-generation sequencing and characterized the microsatellite distribution. In total, 56,674 microsatellites were identified, with 11,584 loci suitable for primer design. Twenty-seven polymorphic microsatellites, including 24 loci with trinucleotide repeat and three with pentanucleotide repeat, were validated in 95 individuals from four natural populations. The allele numbers ranged from 4 to 40, with an average value of 13.7 per locus. A high frequency of null alleles was observed in most loci developed for the OFM. Three marker panels, all of the loci, nine loci with the lowest null allele frequencies, and nine loci with the highest null allele frequencies, were established for population genetics analyses. The null allele influenced estimations of genetic diversity parameters but not the OFM's genetic structure. Both a STRUCTURE analysis and a discriminant analysis of principal components, using the three marker panels, divided the four natural populations into three groups. However, more individuals were incorrectly assigned by the STRUCTURE analysis when the marker panel with the highest null allele frequency was used compared with the other two panels. Our study provides empirical research on the effects of null alleles on population genetics analyses. The microsatellites developed will be valuable markers for genetic studies of the OFM.