bluuebunny/crossref_metadata_2025 huggingface dataset:
Pinus halepensis, Pinus pinaster, Pinus pinea and Pinus sylvestris Essential Oils Chemotypes and Monoterpene Hydrocarbon Enantiomers, before and after Inoculation with the Pinewood Nematode Bursaphelenchus xylophilus
Authors: Rodrigues Ana M. , Mendes Marta D. , Lima Ana S. , Barbosa Pedro M. , Ascensão Lia , Barroso José G. , Pedro Luis G. , Mota Manuel M. , Figueiredo A. Cristina
Published: September 2016

Pinewood nematode (PWN), Bursaphelenchus xylophilus, is the causal agent of pine wilt disease, a serious threat to global forest populations of conifers, especially Pinus spp. A time‐course study of the essential oils (EOs) of 2‐year‐old Pinus halepensis, Pinus pinaster, Pinus pinea and Pinus sylvestris following inoculation with the PWN was performed. The constitutive and nematode inoculation induced EOs components were analyzed at both the wounding or inoculation areas and at the whole plant level. The enantiomeric ratio of optically active main EOs components was also evaluated. External symptoms of infection were observed only in P. pinaster and P. sylvestris 21 and 15 days after inoculation, respectively. The EO composition analysis of uninoculated and unwounded plants revealed the occurrence of chemotypes for P. pinaster, P. halepensis and P. sylvestris, whereas P. pinea showed a homogenous EO composition. When whole plants were evaluated for EO and monoterpene hydrocarbon enantiomeric chemical composition, no relevant qualitative and quantitative differences were found. Instead, EO analysis of inoculated and uninoculated wounded areas revealed an increase of sesquiterpenes and diterpenic compounds, especially in P. pinea and P. halepensis, comparatively to healthy whole plants EOs.
Detection and Toxicity Evaluation of Pyrrolizidine Alkaloids in Medicinal Plants Gynura bicolor and Gynura divaricata Collected from Different Chinese Locations
Authors: Chen Jian , Lü Han , Fang Lian‐Xiang , Li Wei‐Lin , Verschaeve Luc , Wang Zheng‐Tao , De Kimpe Norbert , Mangelinckx Sven
Published: September 2016

Two edible plants in Southeast Asia, Gynura bicolor and G. divaricata, are not only known to be nutritive but also useful as medicinal herbs. Previous phytochemical investigation of Gynura species showed the presence of hepatotoxic pyrrolizidine alkaloids (PAs), indicating the toxic risk of using these two plants. The present study was designed to analyze the distribution of PA components and tried to evaluate the preliminary toxicity of these two Gynura species. Eight samples of G. bicolor and G. divaricata from five different Chinese locations were collected and their specific PAs were qualitatively characterized by applying an UPLC/MS/MS spectrometry method. Using a pre‐column derivatization HPLC method, the total retronecine ester‐type PAs in their alkaloids extracts were quantitatively estimated as well. Finally, their genotoxicity was investigated with an effective high‐throughput screening method referred to as Vitotox™ test and their potential cytotoxicity was tested on HepG2 cells. It was found that different types of PAs were widely present in Gynura species collected from south of China. Among them, no significant genotoxic effects were detected with serial concentrations through the present in vitro assay. However, the cytotoxicity assay of Gynura plants collected from Jiangsu displayed weak activity at the concentration of 100 mg/ml. It is important to note that this research validates in part the indication that the use of Gynura species requires caution.
Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi‐carbon Compounds
Authors: Lakkaraju Prasad S. , Askerka Mikhail , Beyer Heidie , Ryan Charles T. , Dobbins Tabbetha , Bennett Christopher , Kaczur Jerry J. , Batista Victor S.
Published: September 2016

The efficient conversion of formate into oxalate could enable the industrial‐scale synthesis of multi‐carbon compounds from CO2 by C−C bond formation. We found conditions for the highly selective catalytic conversion of molten alkali formates into pure solid oxalate salts. Nearly quantitative conversion was accomplished by calcination of sodium formates with sodium hydride. A catalytic mechanism proceeding through a carbonite intermediate, generated upon H2 evolution, was supported by density functional theory calculations, Raman spectroscopy, and the observed changes in the catalytic performance upon changing the nature of the base or the reaction conditions. Whereas the conversion of formate into oxalate by using a hydroxide ion catalyst was previously studied, hydride ion catalysis and the chain reaction mechanism for the conversion involving a carbonite ion intermediate are reported herein for the first time.
Reconstruction of the Catalytic Pocket and Enzyme–Substrate Interactions To Enhance the Catalytic Efficiency of a Short‐Chain Dehydrogenase/Reductase
Authors: Li Aipeng , Ye Lidan , Yang Xiaohong , Wang Bei , Yang Chengcheng , Gu Jiali , Yu Hongwei
Published: September 2016

To upgrade the short‐chain dehydrogenase/reductase EbSDR8 to a powerful tool for the synthesis of antiPrelog chiral alcohols, rational design was performed by reconstructing the catalytic pocket and enzyme–substrate interactions. The resulting variants showed significantly improved catalytic efficiency (kcat/KM; kcat=turnover rate, KM=Michaelis constant) towards a series of prochiral ketones, with kcat/KM values more than 15‐fold greater than that of wildtype EbSDR8 in some cases. More importantly, none of the mutations caused an adverse effect on the stereoselectivity. The increased steric repulsion and the C−H⋅⋅⋅π interaction involving the alkyl side chain of L153 and the phenyl ring of the substrate turned out to be crucial factors connected to the enhanced enzymatic activity. This provided new insight into the role of steric hindrance and non canonical interactions in protein engineering. Furthermore, the recombinant E. coli whole cells expressing the EbSDR8 variant G94A/S153L successfully catalyzed the reduction of a high‐concentration 2,2,2‐trifluoroacetophenone. The results demonstrated the effectiveness of rational design and the applicability of the designed variants in the efficient reduction of prochiral ketones.
Fine‐Tuning the Acid–Base Properties of Boron‐Doped Magnesium Oxide Catalyst for the Selective Aldol Condensation
Authors: Pham Tu N. , Zhang Lu , Shi Dachuan , Komarneni Mallik R. , Ruiz Maria P. , Resasco Daniel E. , Faria Jimmy
Published: September 2016

Controlled incorporation of dopants into the structure of metal oxide catalysts can be used to fine‐tune their topological, chemical, and electronic properties. Conventional preparation methods (coprecipitation and impregnation) tend to produce materials with a limited extent of chemical interaction between metal oxide and dopant, small pore volume, and disconnected pore structure. Herein, we describe a combustion method to optimize both the porous structure of metal oxides and the chemical interaction with dopants. By exploiting the differences in melting points between metal oxide (MgO) and dopant (B), it is possible to create hierarchical mixed oxides with tailored chemical structure. As a model reaction, we employed the aldol condensation of acetaldehyde to crotyl alcohol, a key intermediate step in the conversion of bioethanol to 1,3‐butadiene, to show the unique characteristics of these materials. The B–Mg mixed oxide prepared by combustion exhibits an order of magnitude higher productivity of C4 products than conventional MgO and B–MgO. We anticipate that our approach could be extended to the development of other dual oxides with open structure for unrestricted diffusion and enhanced chemical interaction of acid and basic metal oxides.
Heterogeneous Palladium‐Catalyzed Hydrogen‐Transfer Cyclization of Nitroacetophenones with Benzylamines: Access to C−N Bonds
Authors: Tang Lin , Wang Pengfei , Fan Yang , Yang Xingkun , Wan Changfeng , Zha Zhenggen
Published: September 2016

The first Pd/C‐catalyzed oxidative C(sp3)−H bond amination of o‐nitroacetophenones with benzylamines or amino acids proceeding through C−N bond cleavage followed by C−N bond formation by a hydrogen‐transfer strategy was developed. These transformations proceeded smoothly in water to afford the desired quinazolines in moderate to good yields. This protocol has a broad substrate scope and good tolerance of air, offers excellent recyclability of the catalyst, and does not need any additional oxidant, ligand, or base; the combination of all of these factors give a new and practical avenue for multiple C−N bond formation. Moreover, a hot filtration experiment indicated that heterogeneous palladium nanoparticles during the reaction are the active species.
1,2‐Dimethoxyethane Degradation Thermodynamics in Li−O2 Redox Environments
Authors: Carboni Marco , Marrani Andrea Giacomo , Spezia Riccardo , Brutti Sergio
Published: September 2016

The reaction thermodynamics of the 1,2‐dimethoxyethane (DME), a model solvent molecule commonly used in electrolytes for Li−O2 rechargeable batteries, has been studied by first‐principles methods to predict its degradation processes in highly oxidizing environments. In particular, the reactivity of DME towards the superoxide anion O2− in oxygen‐poor or oxygen‐rich environments is studied by density functional calculations. Solvation effects are considered by employing a self‐consistent reaction field in a continuum solvation model. The degradation of DME occurs through competitive thermodynamically driven reaction paths that end with the formation of partially oxidized final products such as formaldehyde and methoxyethene in oxygen‐poor environments and methyl oxalate, methyl formate, 1‐formate methyl acetate, methoxy ethanoic methanoic anhydride, and ethylene glycol diformate in oxygen‐rich environments. This chemical reactivity indirectly behaves as an electroactive parasitic process and therefore wastes part of the charge exchanged in Li−O2 cells upon discharge. This study is the first complete rationale to be reported about the degradation chemistry of DME due to direct interaction with O2−/O2 molecules. These findings pave the way for a rational development of new solvent molecules for Li−O2 electrolytes.
Recent Advances in the Synthesis of SCF2H‐ and SCF2FG‐Containing Molecules
Authors: Xiong Heng‐Ying , Pannecoucke Xavier , Besset Tatiana
Published: September 2016

In recent years, much interest has been paid to difluoromethylthiolated molecules as the “SCF2” moiety is a key motif in drug and agrochemical research. Consequently, the development of versatile strategies for the selective synthesis of SCF2H‐ and SCF2FG‐containing molecules (FG=functional group) has attracted a lot of attention and inspired the scientific community to design new tools. This Minireview highlights the major progress made in this field. Particularly, methodologies developed for the difluoromethylation of sulfur‐containing molecules and the direct construction of C−SCF2 bonds in various classes of compounds are showcased and discussed.
Constructing a Nonfluorescent Conformation of AIEgen: A Tetraphenylethene Embedded in the Calix[4]arene's Skeleton
Authors: Han Bin , Wang Xi , Gao Yan , Bai Ming
Published: September 2016

Two novel 1,1‐diphenylmethylidene decorated calix[4]arenes, (Calix‐DPE(OCH3)4 and Calix‐DPE(OH)4), were designed and prepared. The tetraphenylethene (TPE) unit is embedded in the calix[4]arenes skeleton, so the conformation of tetraphenylethene unit is significantly affected by the conformation of calix[4]arene. Unlike the Calix‐DPE(OCH3)4, the Calix‐DPE(OH)4 does not show the aggregation‐induced emission (AIE) phenomena in solution or the crystal state because of the presence of intramolecular hydrogen bonding, which leads to a cone conformation for the calix[4]arene skeleton in which the embedded phenyl rings of the TPE have to take an almost perpendicular configuration to the C=C bond. This result provides direct evidence that the maximal cross‐chromophore π‐conjugation within the tetraphenylethene is one of the prerequisites of switching on its AIE. This offers the possibility of switching the emission of TPE by conformation changes.
Die Wiederentdeckung der Wöhlk‐Probe
Authors: Ruppersberg Klaus , Hain Julia
Published: September 2016

Die Wöhlk‐Probe ist eine Nachweisreaktion für Lactose und Maltose aus dem Jahre 1904. Sie wurde zunächst klinisch für die Analyse von zuckerhaltigem Urin verwendet. Im Schulunterricht kann sie auf einfache Weise den Lactosegehalt von Milchprodukten zeigen; dies ist insofern interessant, da viele Menschen mit einer Unverträglichkeit auf Milchzucker reagieren. Der genaue Reaktionsmechanismus der Wöhlk‐Reaktion (ähnlich: Umikoff‐Reaktion, Wöhlk‐Malfatti‐Nachweis, Fearon's Test) ist trotz vieler Bemühungen noch unbekannt.
Subject‐loaded quadrifilar helical‐antenna RF coil with high B1+ field uniformity and large FOV for 3‐T MRI
Authors: Athalye Pranav S. , Šekeljić Nada J. , Ilić Milan M. , Tonyushkin Alexey A. , Notaroš Branislav M.
Published: September 2016

A novel method for excitation of RF B1 field in high‐field (3‐T) magnetic resonance imaging (MRI) systems using a subject‐loaded quadrifilar helical antenna as an RF coil is proposed, evaluated, and demonstrated. Design, analysis, characterization, and evaluation of the novel coil when situated in a 3‐T MRI bore and loaded with different phantoms are performed and cross‐validated by extensive numerical simulations using multiple computational electromagnetics techniques. The results for the quadrifilar helical‐antenna RF body coil show (a) strong field penetration in the entire phantoms; (b) excellent right‐hand circular polarization (RCP); (c) high spatial uniformity of RCP RF magnetic field, B1+, throughout the phantoms; (d) large field of view (FOV); (e) good transmit efficiency; and (f) low local specific absorption rate (SAR). The examples show that the new RF coil provides substantially better B1+‐field uniformity and much larger FOV than any of the previously reported numerical and experimental results for the existing RF coil designs at 3 T in literature that enable comparison. In addition, helical RF body coils of different lengths can, for instance, easily provide an excellent RCP and highly uniform B1+‐field within the MRI maximum FOV length of 50 cm, and even 100 cm. The proposed MRI RF coil yields a remarkable improvement in the field uniformity in the longitudinal direction, for various phantoms, with comparable efficiency and SAR levels.
A quadrature volume RF coil for vertical B0 field open MRI systems
Authors: Tomanek Boguslaw , Volotovskyy Vyacheslav , Tyson Randy , Yin Donghui , Sharp Jonathan , Blasiak Barbara
Published: September 2016

Cylindrical quadrature radio frequency (RF) coils are widely used in magnetic resonance imaging and spectroscopy due to their high sensitivity and field uniformity. However, the field geometry is unsuitable for use in low‐field open magnetic resonance imaging (MRI) systems with vertical B0 field configurations. Therefore, a new design is proposed. A quadrature RF coil that combines Alderman‐Grant and Helmholtz designs was constructed to produce two independent modes, both orthogonal to the main magnetic field. The coil provides good RF homogeneity over a 20 × 15 × 15 cm volume and operates as both a transmit and receive coil. The application of the coil for 0.2 Tesla permanent magnet with a vertical B0 field is shown. The proposed coil may be applied to MR imaging of larger objects at low vertical magnetic fields.
Quality of care received and patient‐reported regret in prostate cancer: Analysis of a population‐based prospective cohort
Authors: Holmes Jordan A. , Bensen Jeannette T. , Mohler James L. , Song Lixin , Mishel Merle H. , Chen Ronald C.
Published: September 2016

BACKGROUND

Meeting quality of care standards in oncology is recognized as important by physicians, professional organizations, and payers. Data from a population‐based cohort of patients with prostate cancer were used to examine whether receipt of care was consistent with published consensus metrics and whether receiving high‐quality care was associated with less patient‐reported treatment decisional regret.

METHODS

Patients with incident prostate cancer were enrolled in collaboration with the North Carolina Central Cancer Registry, with an oversampling of minority patients. Medical record abstraction was used to determine whether participants received high‐quality care based on 5 standards: 1) discussion of all treatment options; 2) complete workup (prostate‐specific antigen, Gleason grade, and clinical stage); 3) low‐risk participants did not undergo a bone scan; 4) high‐risk participants treated with radiotherapy (RT) received androgen deprivation therapy; and 5) participants treated with RT received conformal or intensity‐modulated RT. Treatment decisional regret was assessed using a validated instrument.

RESULTS

A total of 804 participants were analyzed. Overall, 66% of African American and 73% of white participants received care that met all standards (P = .03); this racial difference was confirmed by multivariable analysis. Care that included “discussion of all treatment options” was found to be associated with less patient‐reported regret on univariable analysis (P = .03) and multivariable analysis (odds ratio, 0.59; 95% confidence interval, 0.37‐0.95).

CONCLUSIONS

The majority of participants received high‐quality care, but racial disparity existed. Participants who discussed all treatment options appeared to have less treatment decisional regret. To the authors' knowledge, this is the first study to demonstrate an association between a quality of care metric and patient‐reported outcome. Cancer 2017;138–143. © 2016 American Cancer Society.
Emergency use of uridine triacetate for the prevention and treatment of life‐threatening 5‐fluorouracil and capecitabine toxicity
Authors: Ma Wen Wee , Saif Muhammad Wasif , El‐Rayes Bassel F. , Fakih Marwan G. , Cartwright Thomas H. , Posey James A. , King Thomas R. , von Borstel Reid W. , Bamat Michael K.
Published: September 2016

BACKGROUND

Increased susceptibility to 5‐fluorouracil (5‐FU)/capecitabine can lead to rapidly occurring toxicity caused by impaired clearance, dihydropyrimidine dehydrogenase deficiency, and other genetic variations in the enzymes that metabolize 5‐FU. Life‐threatening 5‐FU overdoses occur because of infusion pump errors, dosage miscalculations, and accidental or suicidal ingestion of capecitabine. Uridine triacetate (Vistogard) was approved in 2015 for adult and pediatric patients who exhibit early‐onset severe or life‐threatening 5‐FU/capecitabine toxicities or present with an overdose. Uridine triacetate delivers high concentrations of uridine, which competes with toxic 5‐FU metabolites.

METHODS

In 2 open‐label clinical studies, patients who presented with a 5‐FU/capecitabine overdose or an early onset of severe toxicities were treated. Patients received uridine triacetate as soon as possible (most within the first 96 hours after 5‐FU/capecitabine). Outcomes included survival, resumption of chemotherapy, and safety. Their survival was compared with the survival of a historical cohort of overdose patients who received only supportive care.

RESULTS

A total of 137 of 142 overdose patients (96%) treated with uridine triacetate survived and had a rapid reversal of severe acute cardiotoxicity and neurotoxicity; in addition, mucositis and leukopenia were prevented, or the patients recovered from them. In the historical cohort, 21 of 25 patients (84%) died. Among the 141 uridine triacetate–treated overdose patients with a diagnosis of cancer (the noncancer patients included 6 intentional or accidental pediatric overdoses), 53 resumed chemotherapy in < 30 days (median time after 5‐FU, 19.6 days), and this indicated a rapid recovery from toxicity. Adverse reactions in patients receiving uridine triacetate included vomiting (8.1%), nausea (4.6%), and diarrhea (3.5%).

CONCLUSIONS

In these studies, uridine triacetate was a safe and effective lifesaving antidote for capecitabine and 5‐FU overexposure, and it facilitated the rapid resumption of chemotherapy. Cancer 2017;123:345–356. © 2016 American Cancer Society.
Flexible, Free‐Standing and Holey Graphene Paper for High‐Power Supercapacitors
Authors: Ferrero Guillermo A. , Sevilla Marta , Fuertes Antonio B.
Published: September 2016

Flexible supercapacitors based on bendable electrodes have aroused much interest for integration in clothing materials and portable electronic devices. However, simultaneous achievement of high areal energy and high power densities still presents a great challenge. Herein we report the fabrication of free‐standing, flexible graphene papers suitable for high‐performance flexible supercapacitors. The binder‐free graphene paper is made up of two types of holey graphene units (i.e., wrinkled graphene sheets and graphene nanoscrolls) that produce closely interconnected, porous 3D graphene architectures. The graphene papers reported here can be fabricated with a variety of thicknesses and areal densities, in the 10–70 μm and 1–5 mg cm−2 ranges, respectively. They exhibit a remarkable electrochemical performance in aqueous electrolytes: a) a high cell areal capacitance (230–190 mF cm−2 in H2SO4 and 180–170 mF cm−2 in Li2SO4), b) an outstanding capacitance retention of 60 % at ultra‐large current densities of 1200 mA cm−2, c) an excellent long‐term cycling stability and d) high areal power (≈280 mW cm−2) and energy densities (≈32 and ≈60 μWh cm−2 in H2SO4 and Li2SO4, respectively). These highly flexible graphene papers show a great improvement, in terms of areal energy‐power densities, in relation to the state‐of‐the‐art graphene‐based film electrodes.
Nanoparticle‐Templated Molecular Recognition Platforms for Detection of Biological Analytes
Authors: Beyene Abraham G. , Demirer Gozde S. , Landry Markita P.
Published: September 2016

Molecular recognition of biological analytes with optical nanosensors provides both spatial and temporal biochemical information. A recently developed sensing platform exploits near‐infrared fluorescent single‐wall carbon nanotubes combined with electrostatically pinned heteropolymers to yield a synthetic molecular recognition technique that is maximally transparent through biological matter. This molecular recognition technique is known as corona phase molecular recognition (CoPhMoRe). In CoPhMoRe, the specificity of a folded polymer toward an analyte does not arise from a pre‐existing polymer‐analyte chemical affinity. Rather, specificity is conferred through conformational changes undergone by a polymer that is pinned to the surface of a nanoparticle in the presence of an analyte and the subsequent modifications in fluorescence readout of the nanoparticles. The protocols in this article describe a novel single‐molecule microscopy tool (near‐infrared fluorescence and total internal reflection fluorescence [nIRF TIRF] hybrid microscope) to visualize the CoPhMoRe recognition process, enabling a better understanding of synthetic molecular recognition. We describe this requisite microscope for simultaneous single‐molecule visualization of optical molecular recognition and signal transduction. We elaborate on the general procedures for synthesizing and identifying single‐walled carbon nanotube‐based sensors that employ CoPhMoRe via two biologically relevant examples of single‐molecule recognition for the hormone estradiol and the neurotransmitter dopamine. © 2016 by John Wiley & Sons, Inc.
A Molecular Ni‐complex Containing Tetrahedral Nickel Selenide Core as Highly Efficient Electrocatalyst for Water Oxidation
Authors: Masud Jahangir , Ioannou Polydoros‐Chrysovalantis , Levesanos Nikolaos , Kyritsis Panayotis , Nath Manashi
Published: September 2016

We report the highly efficient catalytic activity of a transition metal selenide‐based coordination complex, [Ni{(SePiPr2)2N}2], (1) for oxygen evolution and hydrogen evolution reactions (OER and HER, respectively) in alkaline solution. Very low overpotentials of 200 mV and 310 mV were required to achieve 10 mA cm−2 for OER and HER, respectively. The overpotential for OER is one of the lowest that has been reported up to now, making this one of the best OER electrocatalysts. In addition, this molecular complex exhibits an exceptionally high mass activity (111.02 A g−1) and a much higher TOF value (0.26 s−1) at a overpotential of 300 mV. This bifunctional electrocatalyst enables water electrolysis in alkaline solutions at a cell voltage of 1.54 V.
Coordinated lymphangiogenesis is critical in lymph node development and maturation
Authors: Lee Yulia Ga‐eun , Koh Gou Young
Published: September 2016

Background: Lymph node (LN) formation requires multiple but coordinated signaling from intrinsic and extrinsic cellular components during embryogenesis. However, the contribution and role of lymphatic vessels (LVs) in LN formation and maturation are poorly defined. Here, using lymphatic‐specific reporters, Prox1‐GFP mice and Vegfc+/LacZ mice, we analyzed migration, assembly, and ingrowth of lymphatic endothelial cells (LECs) in LNs during pre‐ and postnatal development. Results: Prox1+ LECs form string‐like connections rather than lymph sac–like structures until E14.5, but the LEC coverage around LN anlagen completes before birth. Compared to wild‐type littermates, Vegfc+/LacZ mice had markedly smaller LNs in neonates and adults, presumably due to the decrease in LTi cell clusters and migrating Prox1+ LECs during embryogenesis. In addition, Vegfc‐haploinsufficiency or inhibition of VEGFR3 signaling led to an impairment of LN LV ingrowth, resulting in a significant decrease in LN volume. These data indicate that VEGF‐C/VEGFR3 signaling plays a substantial role in normal LN formation through proper migration and organization of LECs. Conclusions: Taken together, our results provide compelling evidence that the contribution of LVs through VEGF‐C/VEGFR3 signaling is critical in LN development and maturation. Developmental Dynamics 245:1189–1197, 2016. © 2016 Wiley Periodicals, Inc.
Coping with the loss of large, energy‐dense prey: a potential bottleneck for Weddell Seals in the Ross Sea
Authors: Salas Leo , Nur Nadav , Ainley David , Burns Jennifer , Rotella Jay , Ballard Grant
Published: September 2016

Extraction of Antarctic toothfish (Dissostichus mawsoni) in the Ross Sea began in 1997, following a management plan that targets the largest fish with a goal of reducing the spawning biomass by 50% over 35 yr. We investigate the potential long‐term consequences of the reduced availability of this prey for Weddell seals (Leptonychotes weddellii). Energy demands in seals are acute, especially immediately following lactation, when females must recover substantial mass and cope with molting costs. We tested the hypothesis that toothfish are critically important for adult female seals during this period. Toothfish body mass is three orders of magnitude greater, and its energy density nearly double that of the most common seal prey, Antarctic silverfish (Pleuragramma antarcticum). Reduction or elimination of toothfish consumption could impair a female's ability to sufficiently recover and successfully produce a pup in the following pupping season. Our goals are to (1) illustrate mechanisms and conditions whereby toothfish depletion might plausibly affect seal population trends; (2) identify measurable parameters of the seals' ecology that may help better understand the potential negative impact of toothfish depletion on seal populations; and (3) promote a precautionary management approach for the fishery that includes monitoring of seal populations We constructed a set of inter‐linked models of seal diving behavior, physiological condition, and demography based on existing information. We evaluate the effect of the following factors on seal mass recovery and intrinsic population growth rates: fishery depletion rate, daily diving limits, probability of a successful dive, and body mass recovery target. We show that loss of toothfish has the greatest potential impact on seal populations' growth rate. Under some scenarios, populations may decrease at >10% per year. Critical parameters to better understand fishery impacts include prevalence and size of toothfish in the seals' diet; the relationship between diet and the rate of mass recovery; and female breeding propensity in relation to body condition at the end of the molting period. Our results lend support to concerns about the potential negative impact of toothfish extraction in the Ross Sea; and to advocate for a precautionary management approach by the fishery.
Disentangling the factors driving tree reproduction
Authors: Davi Hendrik , Cailleret Maxime , Restoux Gwendal , Amm Annabelle , Pichot Christian , Fady Bruno
Published: September 2016

Seed production is a strong indicator of plant fitness and plays a major role in population dynamics. However, the environmental and endogenous factors driving seed production are still poorly described and are often hard to disentangle. Consequently, we combined principal components analysis and mixed‐effects linear models that can consider the multicollinearity of the explanatory variables and quantify their respective influence on the spatio‐temporal variability in reproduction. We applied this method to analyze the relationships between cone production in Abies alba Mill. trees (6829 individual reports of cone production). We estimated the relationships between cone production and climate, elevation, tree size (diameter and height), age, crown defoliation rate, and past radial growth. We found that the distribution of annual cone production was highly skewed; 21% of the trees did not produce any cones, whereas 3.7% produced more than 100 cones in a single year. Among the endogenous factors, tree size explained 57% of the variation in cone production with large trees being the most productive. Low radial growth rates in previous years were mostly associated with higher cone production (14% of the variation), while elevation and crown defoliation had non‐monotonic effects on reproduction. Finally, years of high cone production were strongly correlated with the difference between the April temperatures of the two previous years and were also associated with a dry spring 2 yr prior to cone production followed by a humid spring the previous year. These results highlight the complexity of the abiotic and biotic factors involved in reproduction and their respective and interactive influence on the interannual and interindividual variability in cone production.
Proposal of Vibration Control Reducing 2nd Radial Electromagnetic Force
Authors: HARA TAKAFUMI , AOYAGI SHIGEHISA , AJIMA TOSHIYUKI , IWAJI YOSHITAKA , YOSHIZU RIKIYA
Published: September 2016

A permanent‐magnet synchronous motor (PMSM) with a concentrated winding generates vibration and noise resulting from the 2nd radial electromagnetic force. In preceding research, it has been shown that the D‐axis negative current reduces the 2nd radial electromagnetic force. In contrast, a relationship between this force and the current has not been clarified. In this paper, it is demonstrated that this force is separated into three forces caused by the D‐axis current, the Q‐axis current, and the flux of the magnet. An equation correlating this force and the current is developed by using a finite element analysis. On the basis of this equation, vibration control is proposed to reduce this force. In addition, this proposed method is verified by experiment.
Synthesis of Metastable Co4N, Co3N, Co2N, and CoO0.74N0.24 from a Single Azide Precursor and Intermediates in CoBr2 Ammonolysis
Authors: Widenmeyer Marc , Shlyk Larysa , Becker Nils , Dronskowski Richard , Meissner Elke , Niewa Rainer
Published: September 2016

Metastable cobalt nitrides Co4N, Co3N, Co2N, and cobalt oxide nitride CoO0.74N0.24 were synthesized by ammonolysis of one single metastable azide precursor, [Co(NH3)5N3]Cl2, in high purity by controlled variation of the reaction conditions (temperature, duration, gas atmosphere, and flow rate). The alternative route towards cobalt nitrides by ammonolysis of CoBr2 proceeds via [Co(NH3)6]Br2 and Co(NH3)2Br2 to exclusively yield Co3N. For Co3N1.1 a complex magnetic behavior is observed: dominating ferromagnetic ordering at low temperatures and a small coercive field of 10 mT. Co2N orders antiferromagnetically below 10 K. Electronic structure calculations [DFT, generalized‐gradient approximation (GGA)+U] on CoO0.75N0.25 reveal that the experimentally observed rock‐salt structure is less stable than the sphalerite‐type polymorph by about 30 kJ mol–1 and possesses an antiferromagnetically ordered ground state.
Biohydrocarbons Production under Standard Refinery Conditions by means of a Representative Ketal Compound of Biocrude
Authors: Batalha Nuno , Pinto Joana , Ferreira Heitor , Baptista Daniella C. , Miranda Leandro S. M. , Pereira Marcelo M.
Published: September 2016

Any standard oil refinery is based on mature processes that have been adapted to poorly reactive hydrocarbon feeds. In contrast, biomass‐derived compounds are highly functionalized and reactive compared to hydrocarbons. The goal to connect these two different chemical worlds is simple: to transform biomass by ketalization under mild conditions (≈120 °C) to afford a biocrude that is composed of ketal derivatives; 1,2:3,5‐di‐O‐isopropylidene‐β‐d‐xylofuranose (DX) is present in the range of 20–30 wt % in biocrude. Herein, DX mixed in n‐hexane was used as a model under cracking and hydrotreatment conditions. A mixture of DX up to 30 wt % in n‐hexane was converted at 500 °C in fixed‐bed reactor under continuous flow using ZSM‐5 and USY zeolites as catalysts. Remarkably, ZSM‐5 was able to convert DX into monoaromatics. At 1.5 min residence time, 64–94 % of DX was converted into monoaromatics. Additionally, ZSM‐5 showed a coke yield lower than 4 wt %. In contrast, USY increased the coke yield by 10‐fold and afforded fewer monoaromatics. A DX mixture up to 30 % in n‐hexane was converted fully by hydrotreatment in a fixed‐bed reactor using Pd‐USY as the catalyst at 300 °C and 30 bar to produce saturated hydrocarbons only up to 12 atoms. 13C‐labeled DX (in all 13C‐xylofuranose) showed indubitably that xylofuranose carbon atoms were converted into hydrocarbons.
Long Memory of Financial Time Series and Hidden Markov Models with Time‐Varying Parameters
Authors: Nystrup Peter , Madsen Henrik , Lindström Erik
Published: September 2016

Hidden Markov models are often used to model daily returns and to infer the hidden state of financial markets. Previous studies have found that the estimated models change over time, but the implications of the time‐varying behavior have not been thoroughly examined. This paper presents an adaptive estimation approach that allows for the parameters of the estimated models to be time varying. It is shown that a two‐state Gaussian hidden Markov model with time‐varying parameters is able to reproduce the long memory of squared daily returns that was previously believed to be the most difficult fact to reproduce with a hidden Markov model. Capturing the time‐varying behavior of the parameters also leads to improved one‐step density forecasts. Finally, it is shown that the forecasting performance of the estimated models can be further improved using local smoothing to forecast the parameter variations. Copyright © 2016 John Wiley & Sons, Ltd.
Fires in the mire: repeated fire events in Early Permian ‘peat forming’ vegetation of India
Authors: Jasper André , Agnihotri Deepa , Tewari Rajni , Spiekermann Rafael , Pires Etiene Fabbrin , Da Rosa Átila Augusto Stock , Uhl Dieter
Published: September 2016

Macro‐charcoal, as direct evidence of palaeo‐wildfires, is a common constituent throughout an Early Permian (Cisuralian) inertinite‐rich coal seam from the Dhanpuri Coal Mine (Barakar Formation, Sohagpur Coalfield, Madhya Pradesh, India). The continuous presence of macro‐charcoal within this particular seam demonstrates that fires occurred repeatedly in the source vegetation of the seam. Based on these macro‐charcoal remains, an anatomical assessment of the diversity and taxonomic composition of the vegetation, which experienced wildfires and contributed to the formation of peat/coal, is provided. The vegetation that experienced regular fires was dominated by gymnosperms, with a minor component of pteridophytes. The results also support previous studies, which suggest a pyrogenic origin for the high inertinite contents of many Permian coals within Gondwana. Copyright © 2016 John Wiley & Sons, Ltd.
Disentangling disorders of consciousness: Insights from diffusion tensor imaging and machine learning
Authors: Zheng Zhong S. , Reggente Nicco , Lutkenhoff Evan , Owen Adrian M. , Monti Martin M.
Published: September 2016

Previous studies have suggested that disorders of consciousness (DOC) after severe brain injury may result from disconnections of the thalamo‐cortical system. However, thalamo‐cortical connectivity differences between vegetative state (VS), minimally conscious state minus (MCS−, i.e., low‐level behavior such as visual pursuit), and minimally conscious state plus (MCS+, i.e., high‐level behavior such as language processing) remain unclear. Probabilistic tractography in a sample of 25 DOC patients was employed to assess whether structural connectivity in various thalamo‐cortical circuits could differentiate between VS, MCS−, and MCS+ patients. First, the thalamus was individually segmented into seven clusters based on patterns of cortical connectivity and tested for univariate differences across groups. Second, reconstructed whole‐brain thalamic tracks were used as features in a multivariate searchlight analysis to identify regions along the tracks that were most informative in distinguishing among groups. At the univariate level, it was found that VS patients displayed reduced connectivity in most thalamo‐cortical circuits of interest, including frontal, temporal, and sensorimotor connections, as compared with MCS+, but showed more pulvinar‐occipital connections when compared with MCS−. Moreover, MCS− exhibited significantly less thalamo‐premotor and thalamo‐temporal connectivity than MCS+. At the multivariate level, it was found that thalamic tracks reaching frontal, parietal, and sensorimotor regions, could discriminate, up to 100% accuracy, across each pairwise group comparison. Together, these findings highlight the role of thalamo‐cortical connections in patients' behavioral profile and level of consciousness. Diffusion tensor imaging combined with machine learning algorithms could thus potentially facilitate diagnostic distinctions in DOC and shed light on the neural correlates of consciousness. Hum Brain Mapp 38:431–443, 2017. © 2016 Wiley Periodicals, Inc.
A Representative Application of a Layered Interface Modeling Pattern
Authors: Shames Peter M. , Sarrel Marc A. , Friedenthal Sanford
Published: September 2016

Model‐based systems engineering (MBSE) is intended to improve how systems engineering is performed compared with a more traditional document‐based approach by effectively using models to analyze, specify, design, and verify systems. The OMG Systems Modeling Language (OMG SysML™) enables the practice of MBSE by providing a robust and expressive language for representing systems.

Several MBSE methods are available [3], and have continued to mature over the last several years which include model‐based practices for requirements flow‐down, architecture‐design, trade‐off analysis, verification planning, and others. One of the critical systems engineering practices is interface modeling. This paper describes a layered interface pattern for modeling data and communications interfaces using SysML. The pattern spans logical to physical interface definition, and includes software and electrical interfaces.

Each layer in a stack describes a portion of the interface functionality. The concept of a layered interface is borrowed from computer networking [8] [10]. The layered interface pattern described in this paper enables the specification and design of connections and behavior between interfacing systems at a given layer, and between the adjacent layers of a single system. This pattern may also be applied recursively. That is, communication within a single layer may itself be realized by a multi‐layer stack. The level of detail of the model to describe a layered interface should be adapted to the need, and can vary from highly abstract logical flows across a system to highly detailed protocol specifications and message structures.

This paper builds on work that was documented in a previous paper entitled “A modeling pattern for layered system interfaces” [5]. Aspects of this pattern have been demonstrated in various project applications including Exploration Flight Test 1 (EFT‐1), Space Communication and Navigation (SCaN) Trade Studies, and the SCaN Network Integration Project (SNIP).
Systems Engineering for a Circular Economy
Authors: Falk Daniel , Steiber Bengt‐Göran
Published: September 2016

This paper identifies and describes the principles of circular economy that is getting increased attention in Europe. In 2012 the Ellen MacArthur Foundation, in cooperation with industrial partners, presented a financial report outlining the economic potential inherent in the products of today. With a change in mindset and the use of different business models this potential of $630bn, in Europe alone, can be extracted.

This paper discusses the effects of a circular approach and the impact the required shift in business models will have on the fundamental ideas and concepts of today's enterprises. Furthermore the paper states that many of the methods and tools required to perform this change are already accessible today within the systems engineering and logistics engineering domains. The new business models used in a circular economy will require an enhanced integration of these two domains.
Simplifying (and enriching) SysML to perform functional analysis and model instances
Authors: Voirin Jean‐Luc , Bonnet Stéphane , Exertier Daniel , Normand Véronique
Published: September 2016

Confronted with real life and full‐scale operational deployment, model‐based engineering languages and tools may fail to address the wide variety of practices situations can require. This paper describes issues encountered with SysML in the context of systems architectural design. It gives an overview of the adapted language and practices that form the foundations of Arcadia and Capella, a field‐proven model‐based engineering method and its associated open source workbench. Relying on concrete examples, this paper focuses on modeling constructs supporting functional analysis and addresses the problematics of modeling at instance level.
Issues in Conceptual Design and MBSE Successes: Insights from the Model‐Based Conceptual Design Surveys
Authors: Morris Brett A. , Harvey David , Robinson Kevin P. , Cook Stephen C.
Published: September 2016

The INCOSE Model‐Based Conceptual Design (MBCD) Working Group was established in 2011 with the purpose of advancing the body of knowledge and practice of systems engineering (SE), through the development and application of model‐based systems engineering (MBSE) methodologies to the concept stage of a system's life‐cycle. The Working Group strives to achieve its vision through a series of activities conducted by members of the working group. One of these activities was to conduct a survey of people involved in MBCD, with the goal: To identify the issues associated with performing Conceptual Design and areas where MBCD has been successful. As part of this activity, two surveys, one in 2014 and one during 2015, have been conducted. This paper begins with an overview of the first survey and the need for a second survey that arose from the possibility of non‐response bias being present in the first survey's results. Following this, the results obtained from the second survey are presented, compared with the results from the first survey and discussed. The key insights the authors uncovered from the results, survey workshops, and symposium presentations on both surveys are also identified. The paper concludes with a discussion on how these results are being used to inform current MBCD WG activities and strategic planning.
Systems Engineering a Model Based Systems Engineering Tool Suite: The Boeing Approach
Authors: Friedland Brittany , Malone Robert , Herrold John
Published: September 2016

Given the scope of some of the large scale system architecture models created at The Boeing Company, it is currently necessary for Boeing to customize its own Model Based Systems Engineering (MBSE) tool suites from Commercial‐Off‐The‐Shelf (COTS) platforms to accommodate these models. Boeing successfully applies a modified set of Systems Engineering (SE) architectures to specify the required MBSE tool suites and also has developed a unique SE skill set for engineers creating these specifications and developing and deploying the subsequent tool suites. Furthermore, Boeing uses an MBSE tool suite to create these tool suite specifications as models, and also manages the configuration of the MBSE tool suite within the models.
On System Dynamics Modeling of Human‐Intensive Workflow Improvement – Case Study in Cybersecurity Adaptive Knowledge Encoding
Authors: Willett Keith D. , Dove Rick , Cloutier Robert , Blackburn Mark
Published: September 2016

Modeling and simulation offers one way to express a system of systems, to measure its performance, and predict the effects of prospective modifications. This paper introduces a system dynamics model (SDM) as a systems engineering design decision support tool. The SDM structure, design rationale, and results have broader applicability to many people‐oriented workflows that may benefit from 1) working smarter and 2) introducing automation to complement human activities. The SDM structure consists of a sequential time‐essential workflow of eleven phases. The simulation establishes a pre‐modification performance baseline, identifies the fit of a prospective modification with intent to improve workflow, estimates the modification's effect on performance, and then produces post‐modification performance results to compare with the baseline. To provide focus for the SDM, the details herein use cybersecurity operations as one example of a system of systems predominantly operated by people performing insufficiently to address the volume of cyberspace‐related anomalies. The SDM is specifically for cybersecurity operations to identify procedural bottlenecks and show the impact of proposed improvements. Cybersecurity decision patterns (CDPs) provide a case study as a prospective improvement. CDPs are one solution under the integrated adaptive cyberspace defense – joint cognitive system capability area to help establish and sustain agile cybersecurity operations (Willett 2015a). Lessons learned from the approach, application, and results are more broadly applicable to many systems and system of systems operations.
Getting Started with MBSE in Product Development
Authors: Kass Nichole , Kolozs James
Published: September 2016

Whether it is a small company hoping to start using systems engineering with a Model Based Systems Engineering (MBSE) approach, or a larger, established company interested in converting existing document‐based practices to MBSE, the challenges can be daunting. These can include unfamiliarity with the MBSE tool, complex default schemas, and understanding what is worth tracking in MBSE (or not). This paper will address the practical aspects for building and using a simplified MBSE schema. The schema details a selection of diagrams and items to be used for each phase of the product development process. The practical aspects for what information to include, how to trace items to each other, and what to include in each output document are described and demonstrated with examples.