bluuebunny/crossref_metadata_2025 huggingface dataset:
Reservoir characterization in an underground gas storage field using joint inversion of flow and geodetic data
Authors: Jha B. , Bottazzi F. , Wojcik R. , Coccia M. , Bechor N. , McLaughlin D. , Herring T. , Hager B. H. , Mantica S. , Juanes R.
Published: August 2015

Characterization of reservoir properties like porosity and permeability in reservoir models typically relies on history matching of production data, well pressure data, and possibly other fluid‐dynamical data. Calibrated (history‐matched) reservoir models are then used for forecasting production and designing effective strategies for improved oil and gas recovery. Here, we perform assimilation of both flow and deformation data for joint inversion of reservoir properties. Given the coupled nature of subsurface flow and deformation processes, joint inversion requires efficient simulation tools of coupled reservoir flow and mechanical deformation. We apply our coupled simulation tool to a real underground gas storage field in Italy. We simulate the initial gas production period and several decades of seasonal natural gas storage and production. We perform a probabilistic estimation of rock properties by joint inversion of ground deformation data from geodetic measurements and fluid flow data from wells. Using an efficient implementation of the ensemble smoother as the estimator and our coupled multiphase flow and geomechanics simulator as the forward model, we show that incorporating deformation data leads to a significant reduction of uncertainty in the prior distributions of rock properties such as porosity, permeability, and pore compressibility. Copyright © 2015 John Wiley & Sons, Ltd.
Parallel implementation of spectral element method for Lamb wave propagation modeling
Authors: Kudela Pawel
Published: August 2015

The proposed spectral element method implementation is based on sparse matrix storage of local shape function derivatives calculated at Gauss–Lobatto–Legendre points. The algorithm utilizes two basic operations: multiplication of sparse matrix by vector and element‐by‐element vectors multiplication. Compute‐intensive operations are performed for a part of equation of motion derived at the degree of freedom level of 3D isoparametric spectral elements. The assembly is performed at the force vector in such a way that atomic operations are minimized. This is achieved by a new mesh coloring technique The proposed parallel implementation of spectral element method on GPU is applied for the first time for Lamb wave simulations. It has been found that computation on multicore GPU is up to 14 times faster than on single CPU. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of Cognitive Load on Seating Posture in Children
Authors: Igarashi Go , Karashima Chieko , Hoshiyama Minoru
Published: August 2015

Although children are frequently required to sit upright, it is often difficult to maintain this posture when performing cognitive tasks. Information about the relationship between a cognitive tasks and postural seating control is important for children to complete tasks more effectively. To determine the muscle activity and body sway of children in a seated posture while performing a cognitive task, changes in muscle activity and center of pressure (COP) were recorded while 4th grade children performed arithmetic tasks. Electromyography was recorded from the internal oblique and lumbar multifidus muscles, and the COP was recorded using a baropodometer placed on the stool. These variables were measured during easy (EA) and difficult (DA) arithmetic tasks. EMG activity decreased during the EA and DA tasks, while the COP was displaced in the DA task. The results of the arithmetic tasks were not related to the EMG or COP changes. Attention to maintain a seated posture may be reduced when children perform cognitive tasks. Therefore, it may be better to allow children to alter their posture especially when they are performing difficult tasks. In this research, we only used arithmetic tasks as the cognitive exercise, and therefore, other types of tasks should be examined. Copyright © 2015 John Wiley & Sons, Ltd.
A candidate gastric stem/progenitor cell marker revealed by genome‐wide analysis
Authors: Zhu Helen He , Zhuang Guanglei , Gao Wei‐Qiang
Published: August 2015

Despite the important role of the gastric stem cell in tissue homeostasis and gastric carcinogenesis, its residence and identity remain poorly understood. In a recent paper in The Journal of Pathology, Vange et al suggest ASPM as a candidate stem/progenitor cell marker for oxyntic glands. Identification of ASPM was achieved by genome‐wide gene expression analysis of the micro‐dissected isthmus zone, where the majority of stem/progenitor cells are believed to reside. ASPM‐positive cells, scattered in the proliferative isthmus region, do not express most differentiated cell markers and are largely quiescent. Together with ASPM, 11 other genes that are uniquely expressed in the isthmus zone constitute a regulatory network downstream of the core transcription factor E2F1. The authors further demonstrated that up‐regulation of E2F1 and ASPM is associated with gastric cancers. This study provides novel candidates for future lineage‐tracing experiments that will lead to the ultimate discovery of bona fide gastric stem cell markers. Additionally, the E2F1–ASPM axis may represent a new mechanism for gastric carcinogenesis. Copyright © 2015 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Neurocognitive Outcome in Very Long‐Term Survivors of Childhood Acute Lymphoblastic Leukemia After Treatment with Chemotherapy Only
Authors: Kanellopoulos Adriani , Andersson Stein , Zeller Bernward , Tamnes Christian K. , Fjell Anders M. , Walhovd Kristine B. , Westlye Lars T. , Fosså Sophie D. , Ruud Ellen
Published: August 2015

Background

There is a concern regarding long‐term cognitive late effects after treatment for acute lymphoblastic leukemia (ALL). The present study assessed neuropsychological function in very long‐term childhood ALL survivors treated with chemotherapy only. We also investigated associations between neurocognitive performance and individual treatment load.

Procedure

One‐hundred and twelve adult ALL survivors, diagnosed 1970–2002 before age 16 and treated with chemotherapy only, and 100 comparison peers underwent neuropsychological tests covering processing speed, executive functions, working memory, and verbal learning and memory. Individual cumulative doses of cytostatic agents were extracted from the medical records for each patient.

Results

Mean age at diagnosis for survivors was 6.3 years and mean follow‐up time was 22.6 years. There was no difference in general intellectual ability between survivors and comparison peers. However, survivors performed significantly more poorly in the neurocognitive domains’ processing speed (P = 0.003, Cohen's d 0.48), executive functions, and working memory (both P < 0.001, Cohen's d 0.81–0.95). Among survivors, the rates of poor neurocognitive performance (>1.5 SD below control mean) for processing speed was 22%, executive functions 31%, working memory 34%, and verbal learning and memory 16%. Comparing survivors with poor versus normal neurocognitive performance, we found no difference with respect to cumulative doses of any of the cytostatic agents, age at diagnosis, or gender.

Conclusions

Very long‐term survivors of childhood ALL treated exclusively with chemotherapy showed no impairment in general intellectual ability, but significantly poorer performance in several neurocognitive domains than comparison peers. However, no associations emerged between neurocognitive impairment and treatment burden. Pediatr Blood Cancer © 2015 Wiley Periodicals, Inc.
Are Trait–Outcome Associations Caused by Scales Or Particular Items? Example Analysis of Personality Facets and Bmi
Authors: Vainik Uku , Mõttus René , Allik Jüri , Esko Tõnu , Realo Anu
Published: August 2015

In personality research, trait–outcome associations are often studied by correlating scale sum scores with an outcome. For example, an association between the NEO Impulsiveness scale and body mass index (BMI) is often interpreted to pertain to underlying trait Impulsiveness. We propose that this expectation can be corroborated by testing for Spearman's theorem of indifference of indicator. Namely, an underlying trait–outcome association should not depend on the specific items (i.e. indicators) used to measure the trait. To test this theorem, we outline an indicator exclusion procedure and demonstrate its viability using a simulation design. We then apply this procedure to test personality–BMI associations for indifference of indicator in a large population–based sample of adult Estonians (N = 2581) using self–ratings and informant ratings obtained with the NEO Personality Inventory–3. Our results show that the N5: Impulsiveness–BMI association mostly depends on two eating–related items, suggesting that the trait associated with BMI may be narrower than the trait the N5: Impulsiveness scale is supposed to measure. Associations between BMI, E3: Assertiveness and C2: Order seem to pertain to the trait. In sum, testing for indifference of indicator provides a potentially useful method to clarify trait–outcome relationships. R scripts are provided that implement the indicator exclusion procedure. Copyright © 2015 European Association of Personality Psychology
Effects of Fe deficiency on the protein profile of Brassica napus phloem sap
Authors: Gutierrez‐Carbonell Elain , Lattanzio Giuseppe , Albacete Alfonso , Rios Juan José , Kehr Julia , Abadía Anunciación , Grusak Michael A. , Abadía Javier , López‐Millán Ana Flor
Published: August 2015

The aim of this work was to study the effect of Fe deficiency on the protein profile of phloem sap exudates from Brassica napus using 2DE (IEF‐SDS‐PAGE). The experiment was repeated thrice and two technical replicates per treatment were done. Phloem sap purity was assessed by measuring sugar concentrations. Two hundred sixty‐three spots were consistently detected and 15.6% (41) of them showed significant changes in relative abundance (22 decreasing and 19 increasing) as a result of Fe deficiency. Among them, 85% (35 spots), were unambiguously identified. Functional categories containing the largest number of protein species showing changes as a consequence of Fe deficiency were signaling and regulation (32%), and stress and redox homeostasis (17%). The Phloem sap showed a higher oxidative stress and significant changes in the hormonal profile as a result of Fe deficiency. Results indicate that Fe deficiency elicits major changes in signaling pathways involving Ca and hormones, which are generally associated with flowering and developmental processes, causes an alteration in ROS homeostasis processes, and induces decreases in the abundances of proteins involved in sieve element repair, suggesting that Fe‐deficient plants may have an impaired capacity to heal sieve elements upon injury.
Nitric oxide inhibits larval settlement in Amphibalanus amphitrite cyprids by repressing muscle locomotion and molting
Authors: Zhang Gen , Wong Yue‐Him , Zhang Yu , He Li‐Sheng , Xu Ying , Qian Pei‐Yuan
Published: August 2015

Nitric oxide (NO) is a universal signaling molecule and plays a negative role in the metamorphosis of many biphasic organisms. Recently, the NO/cGMP (cyclic guanosine monophosphate) signaling pathway was reported to repress larval settlement in the barnacle Amphibalanus amphitrite. To understand the underlying molecular mechanism, we analyzed changes in the proteome of A. amphitrite cyprids in response to different concentrations of the NO donor sodium nitroprusside (SNP; 62.5, 250, and 1000 μM) using a label‐free proteomics method. Compared with the control, the expression of 106 proteins differed in all three treatments. These differentially expressed proteins were assigned to 13 pathways based on KEGG pathway enrichment analysis. SNP treatment stimulated the expression of heat shock proteins and arginine kinase, which are functionally related to NO synthases, increased the expression levels of glutathione transferases for detoxification, and activated the iron‐mediated fatty acid degradation pathway and the citrate cycle through ferritin. Moreover, NO repressed the level of myosins and cuticular proteins, which indicated that NO might inhibit larval settlement in A. amphitrite by modulating the process of muscle locomotion and molting.
Proteomic analysis of plasma from rats following total parenteral nutrition‐induced liver injury
Authors: Tsai Jai‐Jen , Kuo Hsing‐Chun , Lee Kam‐Fai , Tsai Tung‐Hu
Published: August 2015

Total parenteral nutrition (TPN) is provided as the primary nitrogen source to manage patients with intestinal failure who were not able to sustain themselves on enteral feeds. The most common complication of long‐term TPN use is hepatitis. A proteomic approach was used to identify proteins that are differentially expressed in the plasma of rats following TPN‐related acute liver injury. Six male rats were randomly assigned to either the saline infusion control group or the TPN infusion group. Our results demonstrate that TPN infusion in rats resulted in hepatic dysfunction and hepatocyte apoptosis. Five proteins that were differentially expressed between TPN infusion and normal rats were determined and validated in vivo. Fascinatingly, the proteomic differential displays, downregulated proteins included peroxiredoxin 2 (PRDX2), alpha‐1‐antiproteinase (A1AT), and fibrinogen gamma chain (FIBG), which were involved in oxidative stress, inflammatory respondence and cells apoptosis. After TPN infusion, two protein spots showed increased expression, namely, the glucagon receptor (GLR) protein and apolipoprotein A‐1 (APOA1), which may mediate the effects of TPN administration on glycogen and lipid metabolism. In this study, proteomic analysis suggested TPN‐related acute liver injury could be involved in limiting cellular protection mechanisms against oxidative stress‐induced apoptosis. On the basis of the results, we also give molecular evidences replying TPN‐related hepatitis.
Growth condition‐dependent cell surface proteome analysis of Enterococcus faecium
Authors: Sinnige Jan C. , de Been Mark , Zhou Miaomiao , Bonten Marc J.M. , Willems Rob J.L. , Top Janetta
Published: August 2015

The last 30 years Enterococcus faecium has become an important nosocomial pathogen in hospitals worldwide. The aim of this study was to obtain insight in the cell surface proteome of E. faecium when grown in laboratory and clinically relevant conditions. Enterococcus faecium E1162, a clinical blood stream isolate, was grown until mid‐log phase in brain heart infusion medium (BHI) with, or without 0.02% bile salts, Tryptic Soy Broth with 1% glucose (TSBg) and urine, and its cell surface was “shaved” using immobilized trypsin. Peptides were identified using MS/MS. Mapping against the translated E1162 whole genome sequence identified 67 proteins that were differentially detected in different conditions. In urine, 14 proteins were significantly more and nine proteins less abundant relative to the other conditions. Growth in BHI‐bile and TSBg, revealed four and six proteins, respectively, which were uniquely present in these conditions while two proteins were uniquely present in both conditions. Thus, proteolytic shaving of E. faecium cells identified differentially surface exposed proteins in different growth conditions. These proteins are of special interest as they provide more insight in the adaptive mechanisms and may serve as targets for the development of novel therapeutics against this multi‐resistant emerging pathogen. All MS data have been deposited in the ProteomeXchange with identifier PXD002497 (http://proteomecentral.proteomexchange.org/dataset/PXD002497).
The antioxidant activity of 4‐hydroxycoumarin derivatives and some sulfured analogs
Authors: Rouaiguia‐Bouakkaz Samia , Benayahoum Ali
Published: August 2015

In this work, the relationship between the structure and the radical scavenging activity of seven hydroxycoumarins and their sulfured analogs was investigated for the first time by density functional theory calculation in the gas phase, benzene, and water. Our investigation includes hydrogen atom transfer, single‐electron transfer–proton transfer, and sequential proton loss electron transfer mechanisms. The results revealed that the bond dissociation enthalpy values of sulfured coumarins were lower than those of hydroxylated analogs. The obtained results were in a good agreement with the experimental results. The hydrogen atom transfer mechanism is dominant in both benzene and vacuum. The sequential proton loss electron transfer mechanism represents the most thermodynamically preferred reaction pathway in water. However, single‐electron transfer–proton transfer mechanism is not the most preferred one in all media. Finally, this work contributes to the understanding of the pharmacological activity of the compounds studied. Copyright © 2015 John Wiley & Sons, Ltd.
Synthesis of poly(n‐butyl acrylate) homopolymer and poly(styrene‐b‐n‐butyl acrylate‐b‐styrene) triblock copolymer via AGET emulsion ATRP using a cationic surfactant
Authors: Xue Zhigang , Wang Zhen , He Dan , Zhou Xingping , Xie Xiaolin
Published: August 2015

Cationic emulsions of triblock copolymer particles comprising a poly(n‐butyl acrylate) (PnBA) central block and polystyrene (PS) outer blocks were synthesized by activator generated by electron transfer (AGET) atom transfer radical polymerization (ATRP). Difunctional ATRP initiator, ethylene bis(2‐bromoisobutyrate) (EBBiB), was used as initiator to synthesize the ABA type poly(styrene‐b‐n‐butyl acrylate‐b‐styrene) (PS‐PnBA‐PS) triblock copolymer. The effects of ligand and cationic surfactant on polymerizations were also discussed. Gel permeation chromatography (GPC) was used to characterize the molecular weight (Mn) and molecular weight distribution (MWD) of the resultant triblock copolymers. Particle size and particle size distribution of resulted latexes were characterized by dynamic light scattering (DLS). The resultant latexes showed good colloidal stability with average particle size around 100–300 nm in diameter. Glass transition temperature (Tg) of copolymers was studied by differential scanning calorimetry (DSC). © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 611–620
Coatings with thermally switchable surface energy produced from poly(ethylene oxide)‐poly(dimethylsiloxane) block copolymer films
Authors: Davis Raleigh L. , Register Richard A.
Published: August 2015

This work explores coatings with thermally switchable wetting behavior, based on block copolymers that possess both hydrophilic and hydrophobic segments. The amphiphilic block copolymers were synthesized by coupling allyl‐ended poly(ethylene oxide) (PEO) and hydride‐ended poly(dimethylsiloxane) (PDMS) oligomers via a Pt catalyst. One near‐symmetric diblock possessed an order‐disorder transition temperature (TODT) of 64 °C. When cooled throughTODTin ambient air, the PDMS domains wet the film's surface, producing a hydrophobic coating with a water contact angle (CA) = 90°. However, when cooled in humidified air, hydrophilic PEO domains form at the surface, yielding CA = 30–40°. The coatings can be reversibly switched between the two states by reheating aboveTODT, in the appropriate environment, and then cooling, rapidly generating the desired room‐temperature surface wettability. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 135–140
Comparison of Two Methods for Estimating Adjustable One‐Point Cane Length in Community‐Dwelling Older Adults
Authors: Camara Camila Thais Pinto , de Freitas Sandra Maria Sbeghen Ferreira , de Lima Waléria Paixão , Lima Camila Astolphi , Amorim César Ferreira , Perracini Monica Rodrigues
Published: August 2015

Background and Purpose

Our aim is to estimate inter‐observer reliability, test–retest reliability, anthropometric and biomechanical adequacy and minimal detectable change when measuring the length of single‐point adjustable canes in community‐dwelling older adults.

Methods

There are 112 participants in the study. They are men and women, aged 60 years and over, who were attending an outpatient community health centre. An exploratory study design was used. Participants underwent two assessments within the same day by two independent observers and by the same observer at an interval of 15–45 days. Two measures were used to establish the length of a single‐point adjustable cane: the distance from the distal wrist crease to the floor (WF) and the distance from the top of the greater trochanter of the femur to the floor (TF). Each individual was fitted according to these two measures, and elbow flexion angle was measured.

Results and Discussion

Inter‐observer reliability and the test–retest reliability were high in both TF (ICC3.1 = 0.918 and ICC2.1 = 0.935) and WF measures (ICC3.1 = 0.967 and ICC2.1 = 0.960). Only 1% of the individuals kept an elbow flexion angle within the standard recommendation of 30° ± 10° when the cane length was determined by the TF measure, and 30% of the participants when the cane was determined by the WF measure. The minimal detectable cane length change was 2.2 cm.

Conclusion

Our results suggest that, even though both measures are reliable, cane length determined by WF distance is more appropriate to keep the elbow flexion angle within the standard recommendation. The minimal detectable change corresponds to approximately a hole in the cane adjustment. Copyright © 2015 John Wiley & Sons, Ltd.
New application of NV centers in CVD diamonds as a fluorescent nuclear track detector
Authors: Onoda Shinobu , Haruyama Moriyoshi , Teraji Tokuyuki , Isoya Junichi , Kada Wataru , Hanaizumi Osamu , Ohshima Takeshi
Published: August 2015

NV (nitrogen vacancy) center in a diamond is utilized for FNTD (fluorescent nuclear track detector) for the first time. We performed high energy heavy ion irradiation to single crystal type‐IIa diamonds with various nitrogen concentrations. After high temperature annealing, the nitrogen impurity combined with the vacancies created by a single ion strike. As a result the ion track is visualized as a train of fluorescent NV centers formed. We successfully observe the ion track in both HPHT (high pressure high temperature) and CVD (chemical vapor deposition) diamonds by using the laser scanning confocal microscope. We therefore conclude that a diamond containing nitrogen impurity is able to be used for FNTD.
High‐temperature high‐performance liquid chromatography on a porous graphitized carbon column coupled to an Orbitrap mass spectrometer with atmospheric pressure photoionization for screening exogenous anabolic steroids in human urine
Authors: Virus Edward D. , Luzyanin Boris P. , Ivanov Alexander V. , Kubatiev Aslan A.
Published: August 2015

Rationale

The presence in a urinary matrix of a large number of endogenous steroids and corticosteroids with similar structures can hamper the detection of specific exogenous steroids using liquid chromatography/mass spectrometry (LC/MS) with reversed‐phase columns. Therefore, the development of LC/MS methods using alternative columns is of great interest. Porous graphitized carbon is a unique stationary phase for high‐performance liquid chromatography (HPLC), with properties differing from traditional silica‐based and polymeric stationary phases.

Methods

The new method involves enzymatic hydrolysis, liquid–liquid extraction, and determination by high‐temperature HPLC/Orbitrap mass spectrometry (HTLC/Orbitrap MS) with atmospheric pressure photoionization (APPI). To achieve APPI of doping substances, the mobile phase consisted of 0.1% CF3COOH (A) and a mixture of acetonitrile/2‐propanol (25:75 v/v), containing 0.1% CF3COOH (B), which was used as an effective proton source.

Results

A screening method for the detection of 57 exogenous steroids has been developed. The method was validated by spiking 10 different blank urine samples at different concentration levels. Validation parameters included limit of detection (LOD), selectivity, ion suppression, extraction recovery, and repeatability. All studied compounds had an LOD lower than the minimum required performance level. Of the 57 steroids studied, 55 showed recovery better than 70%. For all of the analytes, the relative retention times proved to be stable between days, with relative standard deviations (RSDs) smaller than 0.3%. In addition, the interday RSDs of the peak area ratios ranged between 0.7% and 14.5%.

Conclusions

The proposed method matches the basic requirements of all methods used to analyze drugs or metabolites in an antidoping laboratory, i.e., sensitivity, selectivity, and specificity. The acquisition of full‐scan mass spectra with accurate masses can be a valuable tool in the retrospective evaluation of analyzed samples for anabolic steroids recently added to the prohibited list. Copyright © 2015 John Wiley & Sons, Ltd.
Analytical methods and application of stable isotopes in dissolved organic carbon and inorganic carbon in groundwater
Authors: Zhou Yinzhu , Guo Huaming , Lu Hai , Mao Ruoyu , Zheng Hao , Wang Jun
Published: August 2015

Rationale

The stable isotopes of dissolved organic carbon (DOC) and inorganic carbon (DIC) provide insights into the carbon cycle, biogeochemical processes, and the fate of redox‐sensitive elements in groundwater systems. The simultaneous determination of the stable isotope ratios (δ13CDIC and δ13CDOC values) in DIC and DOC in water samples would provide better understanding of those processes.

Methods

The conditions for pretreating water samples prior to determining their DIC and DOC stable isotope ratios were optimized with a series of experiments on pre‐purging (GasBench needle versus blowing concentrator) and reaction conditions. The carbon stable isotope ratios were determined by isotope ratio mass spectrometry. Sequential determination of the δ13CDIC and δ13CDOC values was also carried out using the optimized conditions. National Institute of Standards and Technology (NIST) δ13C standards were utilized to verify the precision of the proposed method.

Results

The optimized pretreatment conditions for DIC isotope analysis involved pre‐purging the empty sample bottle for 60 min using a pressurized helium gas‐blowing concentrator and then reacting the sample with 85% H3PO4 for 60 min in a water bath at 60°C. The optimized pretreatment conditions for DOC isotope determination involved pre‐purging the sample for 60 min with the pressurized helium gas‐blowing concentrator after adding 0.1 mol L–1 AgNO3 and 85% H3PO4 and then reacting with Na2S2O8 as an oxidant and AgNO3 as a catalyst, in a 100°C water bath for 60 min.

Conclusions

With the optimized methods, the analytical precision of the δ13CDIC and δ13CDOC values of the reference samples was 0.02‰. The precision of δ13CDIC and δ13CDOC values in groundwater samples was 0.03‰ and 0.17‰, respectively. For the sequential determination of the DIC and DOC carbon isotope ratios, the precision of the δ13CDIC and δ13CDOC values in reference samples was better than 0.2‰. Copyright © 2015 John Wiley & Sons, Ltd.
Identification of six new Alternaria sulfoconjugated metabolites by high‐resolution neutral loss filtering
Authors: Kelman Megan J. , Renaud Justin B. , Seifert Keith A. , Mack Jonathan , Sivagnanam Kumaran , Yeung Ken K.‐C. , Sumarah Mark W.
Published: August 2015

Rationale

Many species of Alternaria damage important agricultural crops, including small grains and tomatoes. These fungi can produce a variety of secondary metabolites, some of which are toxic to humans and animals. Interest in screening for conjugated or 'modified' mycotoxins has increased because of their tendency to evade traditional analytical screening methods. Two sulfoconjugated Alternaria toxins have been reported and the potential exists for many more.

Methods

One hundred and forty‐eight Canadian strains of Alternaria spp., about half of them isolated from grain, were grown on Potato Dextrose Agar in Petri dishes for 7 days. Plugs of each strain were removed, extracted and screened by a rapid liquid chromatography (LC)/data‐dependent tandem mass spectrometry (MS2) method in negative electrospray ionization mode. Data generated on an Orbitrap Q‐Exactive mass spectrometer was processed by post‐acquisition neutral loss filtering (NLF). Seven isolates that produced sulfoconjugates of known Alternaria toxins were selected for growth on three additional types of fermentation media.

Results

Collision‐induced dissociation of sulfoconjugated ions displayed a distinctive neutral loss of SO3 (79.957 Da) that was detected in the MS2 datasets using post‐acquisition NLF. A total of 108 of the 148 isolates screened produced sulfoconjugated metabolites on agar plates. Analysis of the seven isolates grown in liquid culture, on rice and Cheerios, led to the discovery of six new, two previously reported and 30 unidentified sulfoconjugated compounds.

Conclusions

NLF of HRMS2 data from an Orbitrap Q‐Exactive is a powerful tool for the rapid discovery of sulfoconjugated fungal metabolites. This technique could also be applied to the detection of other important conjugated mycotoxins such as glucosides. The majority of the Canadian isolates of Alternaria spp. studied produced sulfoconjugated metabolites, some of which had no known 'free' Alternaria precursor metabolite, indicating that they are possibly new metabolites. The advantage of sulfoconjugation to Alternaria spp. is unknown, and warrants further study into the mechanisms behind the sulfur assimilatory pathways. Copyright © 2015 John Wiley & Sons, Ltd.
The influence of body mass index on clinical short‐term outcomes in robotic colorectal surgery
Authors: Lagares‐Garcia Jorge , O'Connell Abigail , Firilas Anthony , Robinson Christopher Chad , Dumas Bonnie P. , Hagen Monika E.
Published: August 2015

Background

Robotic surgery has been developed to address the technical limitations of laparoscopic surgery and might result in similar outcomes for patients with low and high body mass index (BMI).

Methods

Demographic, peri‐operative data and surrogate oncologic markers for colorectal cancer of patients that underwent robotic colorectal procedures were collected in a prospective database and analyzed.

Results

103 consecutive patients (36 normal‐weight, 33 overweight, 34 obese) underwent robotic colorectal surgery from 11/2011 to 05/2012. While operating room (OR) time was longer for the obese patients (123.4 vs 137.9 and 154.7 min), results for estimated blood loss (104.2 vs 153 and 155.9 mL), conversions (2.8 vs 6.1 and 5.9%), complications (19.4 vs 21.2 and 32.4%), re‐admissions (11.1 vs 112.1 and 20.6) and mortality (0% for all) were comparable. BMI did not affect the surrogate markers in patients with malignancies.

Conclusions

Data demonstrates that patient BMI does not have a significant impact on short‐term clinical outcomes during robotic colorectal surgery. Copyright © 2015 John Wiley & Sons, Ltd.
Planetary Monocular Simultaneous Localization and Mapping
Authors: Bajpai Abhinav , Burroughes Guy , Shaukat Affan , Gao Yang
Published: August 2015

Planetary monocular simultaneous localization and mapping (PM‐SLAM), a modular, monocular SLAM system for use in planetary exploration, is presented. The approach incorporates a biologically inspired visual saliency model (i.e., semantic feature detection) for visual perception in order to improve robustness in the challenging operating environment of planetary exploration. A novel method of generating hybrid‐salient features, using point‐based descriptors to track the products of the visual saliency models, is introduced. The tracked features are used for rover and map state‐estimation using a SLAM filter, resulting in a system suitable for use in long‐distance autonomous (micro)rover navigation, and the inherent hardware constraints of planetary rovers. Monocular images are used as an input to the system, as a major motivation is to reduce system complexity and optimize for microrover platforms. This paper sets out the various components of the modular SLAM system and then assesses their comparative performance using simulated data from the Planetary and Asteroid Natural Scene Generation Utility (PANGU), as well as real‐world datasets from the West Wittering field trials (performed by the STAR Lab) and the SEEKER field trials in Chile (performed by the European Space Agency). The system as a whole was shown to perform reliably, with the best performance observed using a combination of Hou‐saliency and speeded‐up robust features (SURF) descriptors with an extended Kalman filter, which performed with higher accuracy than a state‐of‐the‐art, independently optimized visual odometry localization system on a challenging real‐world dataset.
Impact of secondary user communication on security communication of primary user
Authors: Sibomana Louis , Tran Hung , Tran Quang Anh
Published: August 2015

Cognitive radio network concept has been considered as a promising solution to improve the spectrum utilization. However, it may be vulnerable to security problems as the primary user (PU) and secondary user (SU) access the same resource. In this paper, we consider a system model where an eavesdropper (EAV) illegally listens to the PU communication in the presence of a SU transmitter (SU‐Tx) communicating with a SU receiver (SU‐Rx). The SU‐Tx transmit power is subject to the peak transmit power constraint of the SU and outage probability constraint of the PU. Given this context, the effect of the interference from the SU‐Tx to the EAV on the primary system security is investigated. In particular, analytical expressions of the probability of existence of non‐zero secrecy capacity and secrecy outage probability of the PU are derived. Moreover, the performance analysis of the secondary network is examined where closed‐form expressions of the symbol error probability and achievable rate are presented. Numerical examples are provided to evaluate the impact of the primary system parameters and channel conditions among users on the system performance of secondary and primary networks. Interestingly, our results reveal a fact that the security of the primary network strongly depends on the channel condition of the SU‐Tx to the EAV link and the transmit power policy of the SU‐Tx. Copyright © 2015 John Wiley & Sons, Ltd.
Harnessing Intracellular Biochemical Pathways for In Vitro Synthesis of Designer Tellurium Nanorods
Authors: Xiong Ling‐Hong , Cui Ran , Zhang Zhi‐Ling , Tu Jia‐Wei , Shi Yun‐Bo , Pang Dai‐Wen
Published: August 2015

Synthesizing nanomaterials of desired properties is a big challenge, which requires extremely harsh conditions and/or use of toxic materials. More recently developed in vivo methods have brought a different set of problems such as separation and purification of nanomaterials made in vivo. Here, a novel approach that harnesses cellular pathways for in vitro synthesis of high‐quality tellurium nanorods with tunable lengths and optical properties is reported. It is first demonstrated that in vivo biochemical pathways could be used to synthesize Te nanorods via the intracellular reduction of TeO3
2− in living Staphylococcus aureus cells. The pathways to set up a quasi‐biological system for Te precursor formation are then utilized, which could further synthesize Te nanorods in vitro. This allows to successfully synthesize in vitro, under routine laboratory conditions, Te nanorods with uniform and tunable lengths, ranging from about 10 to 200 nm, and controllable optical properties with high molar extinction coefficients. The approach here should open new avenues for controllable, facile, and efficient synthesis of designer nanomaterials for diverse industrial and biomedical applications.
Ag Nanoparticle‐Grafted PAN‐Nanohump Array Films with 3D High‐Density Hot Spots as Flexible and Reliable SERS Substrates
Authors: Li Zhongbo , Meng Guowen , Huang Qing , Hu Xiaoye , He Xuan , Tang Haibin , Wang Zhiwei , Li Fadi
Published: August 2015

A facile fabrication approach of large‐scale flexible films is reported, with one surface side consisting of Ag‐nanoparticle (Ag‐NP) decorated polyacrylonitrile (PAN) nanohump (denoted as Ag‐NPs@PAN‐nanohump) arrays. This is achieved via molding PAN films with ordered nanohump arrays on one side and then sputtering much smaller Ag‐NPs onto each of the PAN‐nanohumps. Surface‐enhanced Raman scattering (SERS) activity of the Ag‐NPs@PAN‐nanohump array films can be improved by curving the flexible PAN film with ordered nanohump arrays during the Ag‐sputtering process to increase the density of the Ag‐NPs on the sidewalls of the PAN‐nanohumps. More 3D hot spots are thus achieved on a large‐scale. The Ag‐NPs@PAN‐nanohump array films show high SERS activity with good Raman signal reproducibility for Rhodamine 6G probe molecules. To trial their practical application, the Ag‐NPs@PAN‐nanohump array films are employed as SERS substrates for trace detection of trinitrotoluene and a congener of polychlorinated biphenyls. A lower detection limit of 10−12m and 10−5m can be achieved, respectively. Furthermore, the flexible Ag‐NPs@PAN‐nanohump array films can also be utilized as swabs to probe traces of methyl parathion on the surface of fruits such as apples. The as‐fabricated SERS substrates therefore have promising potential for applications in rapid safety inspection and environmental protection.
An introduction to the structural design of rocking wall‐frames with a view to collapse prevention, self‐alignment and repairability
Authors: Grigorian Mark , Grigorian Carl
Published: August 2015

The purpose of this article is to present a new method of analysis for the structural design of pin‐supported rocking wall‐moment frames with supplementary devices and post‐tensioned stabilizers. The function of the wall is to prevent soft story failure, impose uniform drift and provide support for the supplementary equipment. The proposed methodology lends itself well to several seismic design strategies, ranging from severe damage avoidance, to collapse prevention, to structural self‐alignment and repairability. Repairability means avoiding major damage to columns and foundations. The success of the resulting solutions is due to the single degree of freedom behavior of the combined system and the fact that its overall performance is not significantly affected by minor changes in the stiffness of the wall. The sensitivity of the response to wall rigidity is addressed by comparing the maximum elastic slope of the wall with a fraction of the specified uniform drift. The limitations of rocking wall‐moment frames, as viable lateral resisting systems, have been addressed. Several worked examples have been presented to provide insight and technical information that may not be readily available from electronic output. The proposed solutions are exact within the bounds of the theoretical assumptions and are ideally suited for manual as well as spreadsheet computations. Copyright © 2015 John Wiley & Sons, Ltd.
Unpicking Priest’s Bootstraps
Authors: Meadows Toby ,   Philosophy Documentation Center
Published: August 2015

Graham Priest has argued that the fruits of classical set theory can be obtained by naive means through a puzzling piece of reasoning often known as the bootstrapping argument (Priest 2006). I will demonstrate that the bootstrapping involved is best understood as viciously circular and thus, that these fruits remain forbidden. The argument has only one rehearsal in print and it is quite subtle. This paper provides reconstruction of the argument based on Priest (2006) and attempts some fixes and alternative construals to get around some elementary problems. Despite these efforts, the argument remains unconvincing.
From existing trends to future trends in privacy‐preserving collaborative filtering
Authors: Ozturk Adem , Polat Huseyin
Published: August 2015

The information overload problem, also known as infobesity, forces online vendors to utilize collaborative filtering algorithms. Although various recommendation methods are widely used by many electronic commerce sites, they still have substantial problems, including but not limited to privacy, accuracy, online performance, scalability, cold start, coverage, grey sheep, robustness, being subject to shilling attacks, diversity, data sparsity, and synonymy. Privacy‐preserving collaborative filtering methods have been proposed to handle the privacy problem. Due to the increasing popularity of privacy protection and recommendation estimation over the Internet, prediction schemes with privacy are still receiving increasing attention. Because research trends might change over time, it is critical for researchers to observe future trends. In this study, we determine the existing trends in the privacy‐preserving collaborative filtering field by examining the related papers published mainly in the last few years. Comprehensive examinations of the most up‐to‐date related studies are described. By scrutinizing the contemporary inclinations, we present the most promising possible research trends in the near future. Our proposals can help interested researchers direct their research toward better outcomes and might open new ways to enrich privacy‐preserving collaborative filtering studies. WIREs Data Mining Knowl Discov 2015, 5:276–291. doi: 10.1002/widm.1163

This article is categorized under:

Technologies > Prediction
What is the role of curvature on the properties of nanomaterials for biomedical applications?
Authors: Gonzalez Solveyra Estefania , Szleifer Igal
Published: August 2015

The use of nanomaterials for drug delivery and theranostics applications is a promising paradigm in nanomedicine, as it brings together the best features of nanotechnolgy, molecular biology, and medicine. To fully exploit the synergistic potential of such interdisciplinary strategy, a comprehensive description of the interactions at the interface between nanomaterials and biological systems is not only crucial, but also mandatory. Routine strategies to engineer nanomaterial‐based drugs comprise modifying their surface with biocompatible and targeting ligands, in many cases resorting to modular approaches that assume additive behavior. However, emergent behavior can be observed when combining confinement and curvature. The final properties of functionalized nanomaterials become dependent not only on the properties of their constituents but also on the geometry of the nano‐bio interface, and on the local molecular environment. Modularity no longer holds, and the coupling between interactions, chemical equilibrium, and molecular organization has to be directly addressed in order to design smart nanomaterials with controlled spatial functionalization envisioning optimized biomedical applications. Nanoparticle's curvature becomes an integral part of the design strategy, enabling to control and engineer the chemical and surface properties with molecular precision. Understanding how nanoparticle size, morphology, and surface chemistry are interrelated will put us one step closer to engineering nanobiomaterials capable of mimicking biological structures and their behaviors, paving the way into applications and the possibility to elucidate the use of curvature by biological systems. WIREs Nanomed Nanobiotechnol 2016, 8:334–354. doi: 10.1002/wnan.1365

This article is categorized under:

Diagnostic Tools > Biosensing

Diagnostic Tools > Diagnostic Nanodevices

Therapeutic Approaches and Drug Discovery > Emerging Technologies
Syntheses and Crystal Structures of Three Copper(II) Compounds with 2‐Furoic Acid: A Dinuclear Paddle‐wheel Unit and Two Coordination Polymers Supported by Pyridyl Donor Ligands
Authors: Marinho Maria Vanda , Faria Marques Lippy , Maia Daniel S. , Speziali Nivaldo L. , Yoshida Maria Irene , Janczak Jan , Hörner Manfredo , Cimini Corrêa Charlane , Diniz Renata , Machado Flávia C.
Published: August 2015

Three copper(II) complexes, [Cu2(O2CC4H3O)4(H2O)2]·H2O (1), {[Cu2(O2CC4H3O)4(bipy)2(H2O)2]·2H2O}n(2), and {[Cu(bpp)2(H2O)](O2CC4H3O)2·7H2O} (3) [O2CC4H3O = 2‐furanocarboxylate anion, bipy = 4, 4′‐bipyridine, and bpp = 1, 3‐bis(4‐pyridyl)propane] were synthesized and their crystal and molecular structures were determined by single‐crystal X‐ray diffraction analysis. Compound 1 consists on bimetallic tetracarboxylate units exhibiting a common paddle wheel structure. The paddle wheel units are connected by hydrogen bonding along the crystallographic b axis and π–π stacking interactions between the furano rings along the crystallographic c axis, giving rise to a 2D supramolecular array. Compounds 2 and 3 were made up in the presence of 4, 4′‐bipyridine and 1, 3‐bis(4‐pyridyl)propane ligands, respectively, to produce 1D polymeric chains by metal‐ligand interactions. The presence of other weak non‐covalent interactions in these compounds extends the systems dimensionality to form 3D supramolecular networks.
Dehydrochlorination of Carboxylic Acid Chlorides by an Aluminum/Phosphorus‐Based Frustrated Lewis Pair and the Formation of Ketene Adducts
Authors: Uhl Werner , Wegener Philipp , Würthwein Ernst‐Ulrich
Published: August 2015

The Al/P‐based frustrated Lewis pair (FLP)Mes2P–C(=CH–Ph)–Al(CMe3)2 (1) reacted with carboxylic acid chlorides [Cl–C(=O)Me, Cl–C(=O)Et, Cl–C(=O)CH2CMe3] by dehydrochlorination. The released hydrogen chloride molecules were captured by one equivalent of the FLP 1 to yield the previously published HCl adduct, Mes2P(H)+–C(=CH–Ph)–Al(Cl)(CMe3)2– (3). This remarkable reaction resulted in the formal generation of ketenes, R(H)C=C=O, which were trapped by a second equivalent of 1 via the coordination of the C=O groups to the Lewis acidic aluminum and the Lewis basic phosphorus atoms (4 to 6). Five‐membered AlC2PO heterocycles were formed, which had an exocyclic C=C double bond. Quantum chemical DFT calculations were performed to study the thermodynamic driving forces of the adduct formation and to identify reactive intermediates with respect to a mutual activation of this process by phosphorus and aluminum atoms.
Synthesis of Titanium and Zirconium Complexes with 2‐­Pyridonate and 2, 6‐Pyridinedithiolate Ligands
Authors: Casado Miguel A. , Álvarez‐Vergara M. Carmen , Pérez‐Torrente Jesús J. , Lahoz Fernando J. , Dobrinovich Isabel T. , Oro Luis A.
Published: August 2015

Treatment of complex [Cp2TiCl2] with the lithium salt of 2‐hydroxypyridine afforded complex [Cp2Ti(Opy)2] (1), whereas the same synthetic strategy applied to the analogous zirconium compound [Cp2ZrCl2] did not worked. However, the use of the metallocene [Cptt2ZrMe2] with protic ligands allowed directing the reactivity towards protonation of the methyl groups attached to zirconium. To check this approach we reacted [Cptt2ZrMe2] with methanol affording complex [Cptt2ZrMe(OMe)] (2), which was characterized in situ by NMR techniques. In the same line, the reaction of [Cptt2ZrMe2] with 2‐hydroxypyridine gave complex [Cptt2Zr(Me)(Opy)] (3); forcing the conditions of this reaction did not lead to the expected complex [Cptt2Zr(Opy)2], most probably due to the steric hindrance exerted by the bulky cyclopentadienyl ligands. Further reactions of complex 3 with ligands having acidic protons also led to the recovery of the starting complex. However, when shifting to the bifunctional ligand 2, 6‐dimercaptopyridine [py(SH)2] a double protonation of the methyl ligands in [Cptt2ZrMe2] occurred, allowing the isolation of mononuclear complex [Cptt2Zr(κS,κS,κN‐pyS2)] (4), upon evolution of methane. The molecular structure of complex 4 was determined by X‐ray methods, showing the zirconium atom in a highly distorted trigonal bipyramidal arrangement; structural parameters indicate a conventional Zr–N bond, but rather weak Zr–S interactions.