bluuebunny/crossref_metadata_2025 huggingface dataset:
Gas Bubble Migration and Trapping in Porous Media: Pore‐Scale Simulation
Authors: Mahabadi Nariman , Zheng Xianglei , Yun Tae Sup , van Paassen Leon , Jang Jaewon
Published: February 2018

Gas bubbles can be naturally generated or intentionally introduced in sediments. Gas bubble migration and trapping affect the rate of gas emission into the atmosphere or modify the sediment properties such as hydraulic and mechanical properties. In this study, the migration and trapping of gas bubbles are simulated using the pore‐network model extracted from the 3D X‐ray image of in situ sediment. Two types of bubble size distribution (mono‐sized and distributed‐sized cases) are used in the simulation. The spatial and statistical bubble size distribution, residual gas saturation, and hydraulic conductivity reduction due to the bubble trapping are investigated. The results show that the bubble size distribution becomes wider during the gas bubble migration due to bubble coalescence for both mono‐sized and distributed‐sized cases. And the trapped bubble fraction and the residual gas saturation increase as the bubble size increases. The hydraulic conductivity is reduced as a result of the gas bubble trapping. The reduction in hydraulic conductivity is apparently observed as bubble size and the number of nucleation points increase.
Isostatic Compensation of the Lunar Highlands
Authors: Sori Michael M. , James Peter B. , Johnson Brandon C. , Soderblom Jason M. , Solomon Sean C. , Wieczorek Mark A. , Zuber Maria T.
Published: February 2018

The lunar highlands are isostatically compensated at large horizontal scales, but the specific compensation mechanism has been difficult to identify. With topographic data from the Lunar Orbiter Laser Altimeter and gravity data from the Gravity Recovery and Interior Laboratory, we investigate support of highland topography. Poor correlation between crustal density and elevation shows that Pratt compensation is not important in the highlands. Using spectrally weighted admittance, we compared observed values of geoid‐to‐topography ratio (GTR) with those predicted by isostatic models. Observed GTRs are 25.8+7.5–5.7 m/km for the nearside highlands and 39.3+5.7–6.2 m/km for the farside highlands. These values are not consistent with flexural compensation of long‐wavelength topography or Airy isostasy defined under an assumption of equal mass in crustal columns. Instead, the observed GTR values are consistent with models of Airy compensation in which isostasy is defined under a requirement of equal pressures at equipotential surfaces at depth. The gravity and topography data thus reveal that long‐wavelength topography on the Moon is most likely compensated by variations in crustal thickness, implying that highland topography formed early in lunar history before the development of a thick elastic lithosphere.
Island Formation Resulting From Radially Symmetric Flow Expansion
Authors: Shaw John B. , Miller Kimberly , McElroy Brandon
Published: February 2018

Island formation and distributary channel branching are important processes in prograding river deltas. We develop and test a new theory predicting the distance to islands and channel bifurcations based on fluid mass conservation and radially symmetric transport conditions. We analyze channelization and island formation using nine new and five existing delta experiments as well as four field deltas. The new experiments were designed to produce islands from initial deposition of a mouth bar. Before island formation, each bar evolved into a radially symmetric deposit with unchannelized flow over its top previously described as a topographic flow expansion. This morphology was stable to topographic perturbations, and its distal limit prograded basinward while maintaining a characteristic flow depth. Island formation and channel branching occurred on top of this deposit. We hypothesize that this distance (Ψ) is set by the location where boundary shear stress applied by expanding, radially averaged flow falls below the threshold of sediment motion. The model predicts that the distance to the first island scales with water discharge, scales inversely with flow depth, and scales with the inverse square root of median grain diameter. From experiment to field scales, distances to island locations are predicted within a factor of two.
Regional Groundwater and Storms Are Hydrologic Controls on the Quality and Export of Dissolved Organic Matter in Two Tropical Rainforest Streams, Costa Rica
Authors: Osburn Christopher L. , Oviedo‐Vargas Diana , Barnett Emily , Dierick Diego , Oberbauer Steven F. , Genereux David P.
Published: February 2018

A paired‐watershed approach was used to compare the quality and fluxes of dissolved organic matter (DOM) during stormflow and baseflow in two lowland tropical rainforest streams located in northeastern Costa Rica. The Arboleda stream received regional groundwater (RGW) flow, whereas the Taconazo stream did not. DOM quality was assessed with absorbance and fluorescence and stable carbon isotope (δ13C‐DOC) values. RGW DOM lacked detectable fluorescence and had specific ultraviolet absorption (SUVA254) and absorbance slope ratio (SR) values consistent with low aromaticity and low molecular weight material, respectively. We attributed these properties to microbial degradation and sorption of humic DOM to mineral surfaces during transport through bedrock. SUVA254 values were lower and SR values were higher in the Arboleda stream during baseflow compared to the Taconazo stream, presumably due to dilution by RGW. However, no significant difference in SUVA254 or SR occurred between the streams during stormflow. SUVA254 was negatively correlated to δ13C‐DOC (r2 = 0.61, P < 0.001), demonstrating a strong linkage between stream DOM characteristics and the relative amounts of RGW flow and local watershed runoff containing soil and throughfall C sources. Mean DOC export from the Taconazo stream during the study period was 2.62 ± 0.39 g C m−2 year−1, consistent with other tropical streams, yet mean DOC export from the Arboleda stream was 13.79 ± 2.07 g C m−2 year−1, one of the highest exports reported and demonstrating a substantial impact of old RGW from outside the watershed boundary can have on surface water carbon cycling.
Seasonal and Spatial Changes in Trichodesmium Associated With Physicochemical Properties in East China Sea and Southern Yellow Sea
Authors: Jiang Zhibing , Li Hongliang , Zhai Hongchang , Zhou Feng , Chen Quanzhen , Chen Jianfang , Zhang Dongsheng , Yan Xiaojun
Published: February 2018

Trichodesmium is broadly distributed and occasionally blooms in the East China Sea (ECS) and southern Yellow Sea, where it contributes to local N and C budgets. However, its population structure, spatiotemporal distribution, controlling factors, and N2 fixation remain poorly documented. Here we provide high spatial resolution data sets of Trichodesmium during the four seasons of 2011–2012 using water‐ and net‐collected methods. The net‐collected method captures colonial trichomes of Trichodesmium effectively but results in an underestimation of free trichomes. Colonies are rarely observed and occur only on the ECS shelf, which are easily missed in water‐collected samples. Depth‐integrated densities of Trichodesmium were found to be significantly higher in warm seasons than in cold seasons. Maximum densities in the water column were generally found at depths of 10–50 m. Trichodesmium thrives on the oligotrophic, warm, offshore ECS shelf (controlled by the Kuroshio and Taiwan Warm Current), but restrains in the cold southern Yellow Sea and the eutrophic, inshore ECS. Seasonal and spatial variations in Trichodesmium are closely correlated with physicochemical properties (mainly temperature and P), which are primarily controlled by circulation alteration and water mass movement. The N2 fixation rates of Trichodesmium in the ECS in summer and autumn (>20°C) are roughly estimated at 17.1 and 41.7 μmol N m−2 d−1 under nonbloom conditions, which potentially contribute to 81% and 57% of biological N2 fixation, respectively. Compared with historical data since the 1970s, Trichodesmium densities have increased considerably in all seasons, and the distribution boundary has shifted northward under regional warming and hydrological changes.
A Molecular Budget for a Peatland Based Upon 13C Solid‐State Nuclear Magnetic Resonance
Authors: Moody Catherine S. , Worrall Fred , Clay Gareth D. , Burt Tim P. , Apperley David C. , Rose Rob
Published: February 2018

Peatlands can accumulate organic matter into long‐term carbon (C) storage within the soil profile. This study used solid‐state 13C nuclear magnetic resonance (13C‐NMR) to investigate the transit of organic C through a peatland ecosystem to understand the molecular budget that accompanies the long‐term accumulation of C. Samples of biomass, litter, peat soil profile, particulate organic matter, and dissolved organic matter (DOM) were taken from the Moor House National Nature Reserve, a peat‐covered catchment in northern England where both the dry matter and C budget for the ecosystem were known. The results showed that: The interpretation of the 13C‐NMR spectra shows that polysaccharides are preferentially removed through the ecosystem, while lignin components are preferentially retained and come to dominate the organic matter accumulated at depth in the profile. The DOM is derived from the oxidation of both biomass and the degradation of lignin, while the particulate organic matter is derived from erosion of the peat profile. The DOM is differentiated by its proportion of oxidized functional groups and not by its aromatic content. The changes in functionality leading to DOM production suggest side chain oxidation resulting in C‐C cleavage/depolymerisation of lignin, a common reaction within white rot fungi. The 13C‐NMR budget shows that O‐alkyl functional groups are disproportionately lost between primary production and accumulation in the deep peat, while C‐alkyl functional groups are disproportionately preserved. The carbon lost as gases (CO2 and CH4) was estimated to be composed of 93% polysaccharide‐derived carbon and 7% lignin‐derived carbon.
Computationally Efficient Radio Frequency Source Localization for Radio Interferometric Arrays
Authors: Steeb J.‐W. , Davidson David B. , Wijnholds Stefan J.
Published: February 2018

Radio frequency interference (RFI) is an ever‐increasing problem for remote sensing and radio astronomy, with radio telescope arrays especially vulnerable to RFI. Localizing the RFI source is the first step to dealing with the culprit system. In this paper, a new localization algorithm for interferometric arrays with low array beam sidelobes is presented. The algorithm has been adapted to work both in the near field and far field (only the direction of arrival can be recovered when the source is in the far field). In the near field the computational complexity of the algorithm is linear with search grid size compared to cubic scaling of the state‐of‐the‐art 3‐D MUltiple SIgnal Classification (MUSIC) method. The new method is as accurate as 3‐D MUSIC. The trade‐off is that the proposed algorithm requires a once‐off a priori calculation and storing of weighting matrices. The accuracy of the algorithm is validated using data generated by low‐frequency array while a hexacopter was flying around it and broadcasting a continuous‐wave signal. For the flight, the mean distance between the differential GPS positions and the corresponding estimated positions of the hexacopter is 2 m at a wavelength of 6.7 m.
The anti‐human cytomegalovirus drug tricin inhibits cyclin‐dependent kinase 9
Authors: Sadanari Hidetaka , Fujimoto Kazuhiro J. , Sugihara Yuto , Ishida Tomoki , Takemoto Masaya , Daikoku Tohru , Murayama Tsugiya
Published: February 2018

4′,5,7‐trihydroxy‐3′,5′‐dimethoxyflavone (tricin), derived from Sasa albo‐marginata, has been reported to suppress significantly human cytomegalovirus (HCMV) replication in human embryonic lung (HEL) fibroblast cells. However, the target protein of tricin remains unclear. This study focused on the anti‐HCMV activity of tricin in terms of its binding affinity to cyclin‐dependent kinase 9 (CDK9). A molecular docking study predicted that tricin binds well to the ATP‐binding site of CDK9. Experimental measurements then revealed that tricin inhibits the kinase activity of CDK9 and affects the phosphorylation of the carboxy‐terminal domain of RNA polymerase II. Based on these results, we conclude that CDK9 is one of the target proteins of tricin. We also found that tricin possesses anti‐HCMV activity with no cytotoxicity against HEL cells.
Comparative safety of intravenous ferumoxytol versus ferric carboxymaltose in iron deficiency anemia: A randomized trial
Authors: Adkinson N. Franklin , Strauss William E. , Macdougall Iain C. , Bernard Kristine E. , Auerbach Michael , Kaper Robert F. , Chertow Glenn M. , Krop Julie S.
Published: February 2018

Few trials have examined rates of hypersensitivity reactions (HSRs) with intravenous iron formulations used to treat iron deficiency anemia (IDA). This randomized, multicenter, double‐blind clinical trial compared the safety, and efficacy of ferumoxytol versus ferric carboxymaltose (FCM), focusing on rates of HSRs and hypotension as the primary end point. Patients with IDA of any etiology in whom oral iron was unsatisfactory or intolerable received ferumoxytol (n = 997) or FCM (n = 1000) intravenously over ≥15 minutes on days 1 and 8 or 9 for total respective doses of 1.02 g and 1.50 g. Composite incidences of moderate‐to‐severe HSRs, including anaphylaxis, or moderate‐to‐severe hypotension from baseline to week 5 (primary safety end point) were 0.6% and 0.7% in the ferumoxytol and FCM groups, respectively, with ferumoxytol noninferior to FCM. No anaphylaxis was reported in either group. The secondary safety end point of incidences of moderate‐to‐severe HSRs, including anaphylaxis, serious cardiovascular events, and death from baseline to week 5 were 1.3% and 2.0% in the ferumoxytol and FCM groups, respectively (noninferiority test P < .0001). Least‐squares mean changes in hemoglobin at week 5 were 1.4 g/dL and 1.6 g/dL in the ferumoxytol and FCM groups, respectively (noninferiority test P < .0001). Incidence of hypophosphatemia was 0.4% for ferumoxytol and 38.7% for FCM.
Trauma rates and patterns in specific pathogen free (SPF) rhesus macaque (Macaca mulatta) groups
Authors: Stavisky Ronda C. , Ramsey Jacklyn K. , Meeker Tracy , Stovall Melissa , Crane Maria M.
Published: February 2018

There are some predictable patterns of trauma in captive rhesus macaque (Macaca mulatta) social groups. Several factors have been documented to contribute to these patterns, including group formation of unrelated animals, and the establishment of dominance ranks. Here, we report on how socially induced trauma in groups of rhesus monkeys is influenced by the breeding season, numbers of matrilines per group and matriline size. We analyzed 3 years of data collected from veterinary admittance logs for four groups in our specific pathogen free (SPF) breeding colony. Since the groups differed in time from formation, both the numbers of matrilines and the composition of those matrilines were different. Across the four groups, trauma rates were significantly higher during the fall breeding season than the spring and summer months when births occur. The group that was formed most recently, comprised of the greatest number of matrilines but fewest related animals, showed significantly higher rates of trauma than the older social groups. Further, the middle and lowest ranking families received signifincantly higher rates of trauma than the highest ranking families, suggesting a rank–related phenomenon. Additionally, there was a significant negative correlation between numbers of adult females in a matriline and rates of trauma observed in each matriline, but the numbers of adult females are significantly higher in the top ranked families compared to all of the other matrilines. These findings suggest that trauma rates increase during the breeding season and may be exacerbated in recently formed breeding groups that have smaller matrilines and reduced opportunities for social support to mitigate rank‐related aggression. Management practices should be devised to ensure adequate matrilineal size to decrease rates of trauma in captive rhesus macaque groups.
Activating CoOOH Porous Nanosheet Arrays by Partial Iron Substitution for Efficient Oxygen Evolution Reaction
Authors: Ye Sheng‐Hua , Shi Zi‐Xiao , Feng Jin‐Xian , Tong Ye‐Xiang , Li Gao‐Ren
Published: February 2018

Iron‐substituted CoOOH porous nanosheet arrays grown on carbon fiber cloth (denoted as FexCo1−xOOH PNSAs/CFC, 0≤x≤0.33) with 3D hierarchical structures are synthesized by in situ anodic oxidation of α‐Co(OH)2 NSAs/CFC in solution of 0.01 m (NH4)2Fe(SO4)2. X‐ray absorption fine spectra (XAFS) demonstrate that CoO6 octahedral structure in CoOOH can be partially substituted by FeO6 octahedrons during the transformation from α‐Co(OH)2 to FexCo1−xOOH, and this is confirmed for the first time in this study. The content of Fe in FexCo1−xOOH, no more than 1/3 of Co, can be controlled by adjusting the in situ anodic oxidation time. Fe0.33Co0.67OOH PNSAs/CFC shows superior OER electrocatalytic performance, with a low overpotential of 266 mV at 10 mA cm−2, small Tafel slope of 30 mV dec−1, and high durability.
Zn(II) and Cu(II) unsymmetrical formamidine complexes as effective initiators for ring‐opening polymerization of cyclic esters
Authors: Munzeiwa Wisdom A. , Nyamori Vincent O. , Omondi Bernard
Published: February 2018

A series of Zn(II) and Cu(II) complexes were synthesized using unsymmetrical N,N′‐ diarylformamidine ligands, i.e. N‐(2‐methoxyphenyl)‐N′‐2,6‐dichorophenyl)‐formamidine (L1), N‐(2‐methoxyphenyl)‐N′‐phenyl)‐formamidine (L2), N‐(2‐methoxyphenyl)‐N′‐(2,6‐dimethylphenyl)‐formamidine (L3) and N‐(2‐methoxyphenyl)‐N′‐(2,6‐diisopropylphenyl)‐formamidine (L4). The complexes, [Zn2(L1)2(OAc)4] (1), [Zn2(L2)2(OAc)4] (2), [Zn2(L3)2(OAc)4] (3), [Zn2(L4)2(OAc)4] (4), [Cu2(L1)2(OAc)4] (5), [Cu2(L2)2(OAc)4] (6), [Cu2(L3)2(OAc)4] (7) and [Cu2(L4)2(OAc)4] (8), were prepared via a mechanochemical method with excellent yields between 95 ‐ 98% by reacting the metal acetates and corresponding ligands. Structural studies showed that both complexes are dimeric with a paddlewheel core structure in which the separation between the two metal centres are 2.9898 (8) and 2.6653 (7) Å in complexes 3 and 7, respectively. Complexes 1 – 8 were used in ring‐opening polymerization of ε‐caprolactone (ε‐CL) and rac‐lactide (rac‐LA). Zn(II) complexes were more active than Cu(II) complexes, with complex 1 bearing electron withdrawing chloro groups being the most active (kapp = 0.0803 h‐1). Low molecular weight poly‐(ε‐CL) and poly‐(rac‐LA) ranging from 1720 to 6042 g mol‐1, with broad molecular weight distribution (PDIs, 1.78 – 1.87) were obtained. Complex 2 gave reaction orders of 0.56 and 1.52 with respect to ε‐CL and rac‐LA, respectively.
Ultrasonic and bio‐assisted synthesis of Ag@HNTs‐T as a novel heterogeneous catalyst for the green synthesis of propargylamines: A combination of experimental and computational study
Authors: Malmir Masoumeh , Heravi Majid M. , Sadjadi Samahe , Hosseinnejad Tayebeh
Published: February 2018

A novel heterogeneous catalyst is prepared through functionalization of halloysite nanotube with 1H‐1,2,3‐triazole‐5‐methanol and subsequent immobilization of silver nanoparticles through bio‐assisted approach using Arctiumplatylepis extract. The resulting catalyst, Ag@HNTs‐T, was characterized by using SEM/EDX, BET, XRD, FTIR, ICP‐AES, TGA, DTGA and elemental mapping analysis. Moreover, we computationally assessed metal‐ligand interactions in Ag@HNTs‐T complex model to interpret the immobilization behavior of silver nanoparticles on HNTs surface via quantum chemistry computations. The catalytic activity of the catalyst was studied for the synthesis of propargylamines via A3 and KA2 coupling reactions under ultrasonic irradiation. The results demonstrated that Ag@HNTs‐T could efficiently promote these reactions to furnish the corresponding products in high yields and short reaction times. The study of the recyclability of the catalyst and Ag(0) leaching confirmed that the catalyst was recyclability up to four reaction runs with slight Ag(0) leaching.
Assessment of the Hindlimb Membrane Musculature of Bats: Implications for Active Control of the Calcar
Authors: Stanchak Kathryn E. , Santana Sharlene E.
Published: February 2018

The striking postcranial anatomy of bats reflects their specialized ecology; they are the only mammals capable of powered flight. Bat postcranial adaptations include a series of membranes that connect highly‐modified, or even novel, skeletal elements. While most studies of bat postcranial anatomy have focused on their wings, bat hindlimbs also contain many derived and functionally important, yet less studied, features. In this study, we investigate variation in the membrane and limb musculature associated with the calcar, a neomorphic skeletal structure found in the hindlimbs of most bats. We use diffusible iodine‐based contrast‐enhanced computed tomography and standard histological techniques to examine the calcars and hindlimb membranes of three bat species that vary ecologically (Myotis californicus, a slow‐flying insectivore; Molossus molossus, a fast‐flying insectivore; and Artibeus jamaicensis, a slow‐flying frugivore). We also assess the level of mineralization of the calcar at muscle attachment sites to better understand how muscle contraction may enable calcar function. We found that the arrangement of the calcar musculature varies among the three bat species, as does the pattern of mineral content within the calcar. M. molossus and M. californicus exhibit more complex calcar and calcar musculature morphologies than A. jamaicensis, and the degree of calcar mineralization decreases toward the tip of the calcar in all species. These results are consistent with the idea that the calcar may have a functional role in flight maneuverability. Anat Rec, 301:441–448, 2018. © 2018 Wiley Periodicals, Inc.
Muscle Functional Morphology in Paleobiology: The Past, Present, and Future of “Paleomyology”
Authors: Perry Jonathan M. G. , Prufrock Kristen A.
Published: February 2018

Our knowledge of muscle anatomy and physiology in vertebrates has increased dramatically over the last two‐hundred years. Today, much is understood about how muscles contract and about the functional meaning of muscular variation at multiple scales. Progress in muscle anatomy has profited from the availability of broad comparative samples, advances in microscopy have permitted comparisons at increasingly finer scales, and progress in muscle physiology has profited from many carefully designed and executed experiments. Several avenues of future work are promising. In particular, muscle ontogeny (growth and development) is poorly understood for many vertebrate groups. We consider which types of advances in muscle functional morphology are of use to paleobiologists. These are only a modest subset for muscle anatomy and a very small subset for muscle physiology. The relationship between muscle and bone – spatially and mechanically—is critical to any future advances in “paleomyology”. Anat Rec, 301:538–555, 2018. © 2018 Wiley Periodicals, Inc.
Do the time series statistical properties influence the goodness of fit of GRNN models? Study on financial series
Authors: Bărbulescu Alina
Published: February 2018

Recent researches on Generalized Regression Neural Networks show that this technique could be a promising option for modeling nonlinear time series, in general, and for financial series, in particular. Different types of artificial neural networks have been extensively studied, but the relationship between the statistical properties of the input data series and the models' accuracy was not emphasized. Therefore, our aim is to provide such an analysis. We study the Bucharest Exchange Trading series registered during the period from October 2000 to September 2014. Firstly, we test the series randomness, the existence of an increasing or nonlinear trend, its stationarity around a deterministic trend, and the breakpoints existence. Then, using the series decomposition, we define the detrended series and the deseasonalized series. Secondly, we build Generalized Regression Neural Network models for the original series, the subseries detected after the segmentation, the detrended, and deseasonalized ones. Comparing the modeling results, we conclude that some “regularity” properties (as normality and homoskedasticity) do not influence the models' quality (as expected).
Potenzial von schaltbarer Wärmedämmung
Authors: Schilly Tobias , Carrigan Svenja , Kornadt Oliver
Published: February 2018

Konventionelle Wärmedämmung führt zu einer thermischen Entkopplung zwischen Außen‐ und Innenklima. Zur Begrenzung des Transmissionswärmeverlustes ist dies sehr sinnvoll. Jedoch steht die Wärmedämmung dem dynamisch wechselnden Außenklima statisch gegenüber. Eine Anpassung der Dämmwirkung an die jeweiligen Umgebungsbedingungen kann einerseits zur Senkung des Heizenergiebedarfs von Gebäuden und andererseits zur Reduktion sommerlicher Überhitzungen beitragen. Im ersten Fall ist eine geringe Wärmedämmung der Außenbauteile sinnvoll, wenn in der Heizperiode eine hohe Außentemperatur oder eine hohe solare Einstrahlung auf die Fassade vorhanden ist. Im zweiten Fall bewirkt eine geringe Wärmedämmung, dass überschüssige Wärme im Gebäudeinneren in kühlen Nachtstunden durch Wärmeleitung an die Umgebung abgegeben wird. In dieser Arbeit werden unterschiedliche Verfahren von schaltbaren Wärmedämmsystemen vorgestellt und diskutiert.

Im Rahmen von Simulationsrechnungen wurden für den Standort Deutschland die Potenziale sowohl zur Beheizung als auch zur Reduktion sommerlicher Überhitzungen untersucht. Hierzu wurde eine idealisierte schaltbare Wärmedämmung betrachtet, für die beide Effekte nachgewiesen werden konnten. Die Einsparung an Heizenergie liegt im einstelligen Prozentbereich. Zur Einordnung des Effektes der Reduktion der sommerlichen Überhitzung wurde zum Vergleich eine erhöhte Nachtlüftung betrachtet.
Parameterstudie zur Wasseraufnahme verschiedener Putz‐ und Beschichtungssysteme anhand von Simulationsrechnungen
Authors: Worch Anatol , Schild Kai , Stein Anna‐Lena , Hannig Antje
Published: February 2018

Schlagregen führt zu einer Feuchtigkeitsbelastung von Außenwänden und kann insbesondere bei den zunehmend leichter werdenden Mauerwerksbildnern zu Schäden führen. Ein entsprechender Schutz wird in der Regel durch wasserabweisende Putzsysteme realisiert. Ziel der hier vorgestellten Simulationsrechnungen war es, die Wassergehalte im äußeren Bereich der Konstruktionen zu analysieren. Dabei wurde untersucht, ob der derzeit in der DIN 4108‐3 verankerte Wasseraufnahmekoeffizient von 0,5 kg/(m2√h) ausreichend ist. Dies geschah auch vor dem Hintergrund unterschiedlicher Normungen bei den Prüfverfahren für die Wasseraufnahme (u.a. DIN EN ISO 15148, DIN EN 1015‐18). Abschließend wurde betrachtet, welche Putz‐ und Anstrichsysteme günstig sind und welchen Einfluss unterschiedliche Wassergehalte auf den Wärmeschutz haben.
Tissue models for RF exposure evaluation at frequencies above 6 GHz
Authors: Ziskin Marvin C. , Alekseev Stanislav I. , Foster Kenneth R. , Balzano Quirino
Published: February 2018

Exposures to radiofrequency (RF) energy above 6 GHz are characterized by shallow energy penetration, typically limited to the skin, but the subsequent increase in skin temperature is largely determined by heat transport in subcutaneous layers. A detailed analysis of the energy reflection, absorption, and power density distribution requires a knowledge of the properties of the skin layers and their variations. We consider an anatomically detailed model consisting of 3 or 4 layers (stratum corneum, viable epidermis plus dermis, subcutaneous fat, and muscle). The distribution of absorbed power in the different tissue layers is estimated based on electrical properties of the tissue layers inferred from measurements of reflected millimeter wavelength energy from skin, and literature data for the electrical properties of fat and muscle. In addition, the thermal response of the model is obtained using Pennes bioheat equation as well as a modified version incorporating blood flow rate‐dependent thermal conductivity that provides a good fit to experimentally‐found temperature elevations. A greatly simplified 3‐layer model (Dermis, Fat, and Muscle) that assumes surface heating in only the skin layer clarifies the contribution of different tissue layers to the increase in surface skin temperature. The model shows that the increase in surface temperature is, under many circumstances, determined by the thermal resistance of subcutaneous tissues even though the RF energy may be deposited almost entirely in the skin layer. The limits of validity of the models and their relevance to setting safety standards are briefly discussed. Bioelectromagnetics. 39:173–189, 2018. © 2018 Wiley Periodicals, Inc.
[18F]Fluorodeoxyglucose PET/CT and prediction of histopathological response to neoadjuvant chemotherapy for adenocarcinoma of the oesophagus and oesophagogastric junction
Authors: Harustiak T. , Zemanova M. , Fencl P. , Hornofova L. , Pazdro A. , Snajdauf M. , Salkova E. , Lischke R. , Stolz A.
Published: February 2018

Background

The aim of this prospective study was to assess whether [18F]fluorodeoxyglucose PET can be used to predict histopathological response early in the course of neoadjuvant chemotherapy in patients with adenocarcinoma of the oesophagus and oesophagogastric junction.

Methods

Following the PET response criteria in solid tumours (PERCIST 1.0) as a standardized method for semiquantitative assessment of metabolic response, FDG-PET/CT was performed before (PET1) and after (PET2) initiation of the first cycle of chemotherapy. The relative changes in the peak standardized uptake value (ΔSUL) and total lesion glycolysis (ΔTLG) between PET1 and PET2 were correlated with histopathological response, defined as less than 50 per cent viable tumour cells in the resection specimen. A receiver operating characteristic (ROC) curve analysis was used to identify the optimal cut-off value with the highest accuracy of histopathological response prediction.

Results

PET2 was performed a median of 16 (range 12–22) days after the start of chemotherapy. Some 27 of 90 patients who underwent surgery had a histopathological response. There was no association between the median ΔSUL or median ΔTLG and the histopathological response. A post hoc analysis in 47 patients with PET2 performed 16 days or less after the start of chemotherapy showed that ΔTLG, but not ΔSUL, was associated with the histopathological response (P = 0·009). The optimal cut-off value of ΔTLG was 66 per cent or more.

Conclusion

FDG-PET/CT after the first cycle of chemotherapy does not predict histopathological response in patients with adenocarcinoma of the oesophagus and oesophagogastric junction.
Nationwide analysis of risk factors for in-hospital mortality in patients undergoing abdominal aortic aneurysm repair
Authors: Trenner M. , Kuehnl A. , Reutersberg B. , Salvermoser M. , Eckstein H.-H.
Published: February 2018

Background

There is increasing awareness that women may have worse outcomes following repair of abdominal aortic aneurysm (AAA). The aim of this study was to analyse the association between sex, age and in-hospital mortality after AAA using hospital episode data collected routinely at the nationwide level.

Methods

Data were extracted from the nationwide statutory Diagnosis Related Group statistics provided by the German Federal Statistical Office. Patients with a diagnosis of intact (non-ruptured) AAA (ICD-10 GM I71.4) and procedure codes (OPS; 2005–2013) for endovascular aneurysm repair (EVAR) (5-38a.1*) or open aneurysm repair (5-384.5, 5-384.7), treated from 2005 to 2013, were included. A multilevel multivariable regression model was applied to adjust for medical risk (using the Elixhauser co-morbidity score), type of procedure, type of admission, and to account for clustering of patients within centres. The primary outcome was in-hospital mortality.

Results

Some 84 631 patients were identified, of whom 10 039 (11·9 per cent) were women. Women were significantly older than men at admission (median 74 (i.q.r. 69–80) versus 72 (66–77) years; P < 0·001). EVAR was used less frequently in women (48·1 versus 54·7 per cent; P < 0·001). The in-hospital mortality rate was higher in women, overall (5·0 versus 3·1 per cent; relative risk 1·60, 95 per cent c.i. 1·45 to 1·75), and for EVAR (2·8 versus 1·5 per cent; RR 1·90, 1·60 to 2·30) and open repair (6·8 versus 5·0 per cent; RR 1·36, 1·22 to 1·52). In-hospital mortality increased with age and was highest in patients aged over 80 years. In multivariable regression analysis, female sex (RR 1·20, 1·07 to 1·35) and age per 10-year increase (RR 1·83, 1·73 to 1·95) were independent risk factors for higher in-hospital mortality.

Conclusion

In Germany, women were older when undergoing AAA repair and were less likely to receive EVAR. Mortality rates were higher in older patients and in women, irrespective of the surgical technique used.
Copolymerization Mechanisms of Propylene and Norbornadiene Catalyzed by Zirconocene Complexes: A Density Functional Theory Study
Authors: Yu Shu‐Yuan , Ren Ping , Zheng Hui‐Min , Zhang Cheng‐Gen
Published: February 2018

Copolymerization mechanisms of norbornadiene (NBD) and propylene, catalyzed by three zirconocene catalysts (namely, rac‐Me2Si(2‐Me‐4‐Ph‐Ind)2ZrCl2/MAO (catA), rac‐Me2Si(Ind)2ZrCl2/MAO (catB), and rac‐CH2CH2(Ind)2ZrCl2/MAO(catC)), have been studied, using density functional theory computations. It has been found that the barrier (28.5 kcal mol−1) for the insertion of propylene to the [Zr]A‐NBD‐PP1 (the NBD insertion product) is significantly higher than those to [Zr]B‐NBD‐PP1 (22.9 kcal mol−1) and [Zr]C‐NBD‐PP1 (20.5 kcal mol−1), rationalizing the experimental observation that addition of NBD deactivated catA system but only lowered the catalytic activity of catB and catC systems. However, [Zr]A‐NBD‐PP1 can react with H2 easily, which displaces NBD−PP1 chain and gives active [Zr]A−H species to continue copolymerization, which is why the introduction of H2 could recover the catalytic activity of catA system.
Predictors of freezing of gait in Chinese patients with Parkinson's disease
Authors: Ou Ruwei , Wei Qianqian , Cao Bei , Song Wei , Hou Yanbing , Liu Hui , Yuan Xiaoqin , Zhao Bi , Wu Ying , Shang Huifang
Published: February 2018

Objective

To explore the clinical predictors of freezing of gait (FOG) in Chinese patients with Parkinson's disease (PD).

Methods

This study included 225 patients with PD who completed a three‐year follow‐up visit. The end‐point was the presence of FOG (freezers), which was assessed during the follow‐up visit. Group comparisons were conducted, followed by a further forward binary logistic regression analysis.

Results

Eighty‐five patients with PD (38%) had developed FOG at the end of study. At baseline, freezers exhibited higher age, longer disease duration, higher scores in Unified PD Rating Scale (UPDRS) III and Hamilton Depression/Anxiety Rating Scale, lower Frontal Assessment Battery (FAB) score, higher subscores (e.g., “urgency”) and frequencies (e.g., “hallucinations”) in Non‐Motor Symptoms Scale, higher annual changes in MoCA, UPDRS III and FAB scores, and higher incidences of festination and falls than nonfreezers (p < .05). The forward binary logistic regression model indicated that a longer disease duration, a higher UPDRS III score, higher annual changes in UPDRS III score and “visuospatial/executive abilities” subscore, onset in lower limbs, and the presence of festination, falls, and hallucinations were associated with the development of FOG.

Conclusions

Patients with onset in the lower limbs and the presence of festination, falls, and hallucinations may be prone to develop FOG episodes. FOG also likely occurs with the deterioration of PD severity and visuospatial function.
Isolation, Synthesis and AChE Inhibitory Potential of Some Novel Cinnamyl Esters of Taraxerol, the Major Metabolite of the Mangrove Bruguiera cylindrica
Authors: Nithyamol Kalappurakkal Vidyan , Bhattacharya Dwaipayan , Chakravarty Sumana , Venkata Uppuluri Mallavadhani
Published: February 2018

Systematic chemical screening of the leaves of Bruguiera cylindrica, the tree mangrove of Rhizophoraceae family, afforded five single and pure compounds. The structures of the isolated compounds were established by their spectroscopic data as taraxerol (1), 3β‐(E)‐coumaroyltaraxerol (2), 3β‐(Z)‐coumaroyltaraxerol (3), β‐sitosterol (4), and eicosanol (5). In view of significant accumulation and interesting biological activities, taraxerol (1) was chemically transformed to synthesize a series of ten cinnamyl esters in very good to excellent yields. The synthesized analogues along with the parent compound were evaluated for their AChE inhibitory potential, BBB permeability and cytotoxicity against Neuro 2A cell line. Among the tested samples, compound 9 showed promising AChE inhibition with significantly low IC50 values, low cytotoxicity and high BBB permeability. Hence, compound 9 can be considered as a lead molecule for further development as potent AChE inhibitor.
A Miniaturized Escherichia coli Green Light Sensor with High Dynamic Range
Authors: Ong Nicholas T. , Tabor Jeffrey J.
Published: February 2018

Genetically engineered photoreceptors enable unrivaled control over gene expression. Previously, we ported the Synechocystis PCC 6803 CcaSR two‐component system, which is activated by green light and deactivated by red, into Escherichia coli, resulting in a sensor with a sixfold dynamic range. Later, we optimized pathway protein expression levels and the output promoter sequence to decrease transcriptional leakiness and to increase the dynamic range to approximately 120‐fold. These CcaSR v 1.0 and v 2.0 systems have been used for precise quantitative, temporal, and spatial control of gene expression for a variety of applications. Recently, other workers deleted two PAS domains of unknown function from the CcaS sensor histidine kinase in a system similar to CcaSR v 1.0. Here we apply these deletions to CcaSR v 2.0, resulting in a v 3.0 light sensor with an output four times less leaky and a dynamic range of nearly 600‐fold. We demonstrate that the PAS domain deletions have no deleterious effect on CcaSR green light sensitivity or response dynamics. CcaSR v 3.0 is the best‐performing engineered bacterial green light sensor available, and should have broad applications in fundamental and synthetic biology studies.
Comparison of measured and predicted specific optical rotation in gas and solution phases: A test for the polarizable continuum model of solvation
Authors: Aharon Tal , Lemler Paul , Vaccaro Patrick H. , Caricato Marco
Published: February 2018

A comparative theoretical and experimental study of dispersive optical activity is presented for a set of small, rigid organic molecules in gas and solution phases. Target species were chosen to facilitate wavelength‐resolved measurements of specific rotation in rarefied vapors and in organic solvents having different polarities, while avoiding complications due to conformational flexibility. Calculations were performed with two density functionals (B3LYP and CAM‐B3LYP) and with the coupled‐cluster singles and doubles (CCSD) ansatz, and solvent effects were included through use of the polarizable continuum model (PCM). Across the various theoretical methods surveyed, CCSD with the modified velocity gauge provided the best overall performance for both isolated and solvated conditions. Zero‐point vibrational corrections to equilibrium calculations of chiroptical response tended to improve agreement with gas‐phase experiments, but the quality of performance realized for solutions varied markedly. Direct comparison of measured and predicted specific‐rotation suggests that PCM, in general, is not able to reproduce attendant solvent shifts (neither between gas and solution phases nor among solvents) and fares better in estimating actual medium‐dependent values of this property (although the error is rather system dependent). Thus, more elaborate solvation models seem necessary for a proper theoretical description of solvation in dispersive optical activity.
The Role of Planarity versus Nonplanarity in the Electronic Communication of TCAQ‐Based Push–Pull Chromophores
Authors: García Raúl , Calbo Joaquín , Viruela Rafael , Herranz M. Ángeles , Ortí Enrique , Martín Nazario
Published: February 2018

Donor–acceptor‐substituted alkynes, endowed with 11,11,12,12‐tetracyano‐9,10‐anthraquinodimethane (TCAQ) and N,N‐dimethylaniline (DMA) units, have been further functionalized by a [2+2] cycloaddition with tetracyanoethylene (TCNE) followed by a subsequent retro‐electrocyclization to form distorted nonplanar structures with bridging 1,1,4,4‐tetracyanobuta‐1,3‐diene (TCBD) units. Comprehensive spectroscopic, electrochemical, and computational studies have been carried out to compare the electronic communication in planar (alkyne bridges) and nonplanar (TCBD bridges) TCAQ‐based push–pull chromophores. Cyclic voltammetry and UV/Vis absorption measurements confirm the electronic communication between the TCAQ and DMA units despite the nonplanarity of the TCBD group. The experimental trends are strongly supported by density functional theory calculations, which further support the active electron‐withdrawing role of the TCBD bridges. The novel push–pull TCAQ‐based derivatives incorporating the TCBD bridge show a broad absorption in the whole visible range while the structures are highly distorted from planarity.
Education and Knowledge in Pharmacogenomics: Still a Challenge?
Authors: Giri Jyothsna , Curry Timothy B. , Formea Christine M. , Nicholson Wayne T. , Rohrer Vitek Carolyn R.
Published: February 2018

A number of barriers exist for adoption of pharmacogenomics into practice. Physicians, pharmacists, and nurses report limited knowledge about pharmacogenomics and its use in patient care. Lack of pharmacogenomics education curricula as part of professional schools or postgraduate training programs has been reported as a potential cause. Understanding pharmacogenomics is further complicated by a complex and nonstandard lexicon, limited medication guidelines, rapidly changing evidence, and insufficient awareness of test availability and utility.
The World Needs New Colors: Cutting Edge Mobility Focusing on Long Persistent Luminescence Materials
Authors: Arras Janet , Bräse Stefan
Published: February 2018

The front cover artwork is provided by the authors and the Karlsruhe Institute of Technology (KIT; Germany). This article highlights how long persistent luminescent materials may be used as road markings to illuminate the route ahead for vehicles, such as the autonomous research car of the KIT shown in the cover image. Read the full text of the Minireview at 10.1002/cptc.201700215.
Cyclic Utilization of Zinc Borate Mother Solution via a New Method
Authors: Liu Xin , Dong Yaping , Nai Xueying , Wei Ming , Li Wu
Published: February 2018

Zinc borate mother solution is cycled to prepare 2ZnO·3B2O3·7H2O, 3ZnO·5B2O3·14H2O, and 4ZnO·B2O3·H2O based on the properties of borate depolymerization. The results show uniform quadrilateral‐prism‐like and octahedron‐like 2ZnO·3B2O3·7H2O are synthesized at different temperatures. Flake‐like 3ZnO·5B2O3·14H2O is fabricated as reaction time prolonging, and 2ZnO·3B2O3·7H2O changed into 3ZnO·5B2O3·14H2O spontaneously. Meanwhile, resulting 2ZnO·3B2O3·7H2O is investigated to fabricate high aspect ratio of 4ZnO·B2O3·H2O whisker. Impressively, uniform 4ZnO·B2O3·H2O whisker can be resynthesized by the filtrates of 2ZnO·3B2O3·7H2O and 3ZnO·5B2O3·14H2O via the zero‐waste technology.
Applying network theory to animal movements to identify properties of landscape space use
Authors: Bastille‐Rousseau Guillaume , Douglas‐Hamilton Iain , Blake Stephen , Northrup Joseph M. , Wittemyer George
Published: February 2018

Network (graph) theory is a popular analytical framework to characterize the structure and dynamics among discrete objects and is particularly effective at identifying critical hubs and patterns of connectivity. The identification of such attributes is a fundamental objective of animal movement research, yet network theory has rarely been applied directly to animal relocation data. We develop an approach that allows the analysis of movement data using network theory by defining occupied pixels as nodes and connection among these pixels as edges. We first quantify node‐level (local) metrics and graph‐level (system) metrics on simulated movement trajectories to assess the ability of these metrics to pull out known properties in movement paths. We then apply our framework to empirical data from African elephants (Loxodonta africana), giant Galapagos tortoises (Chelonoidis spp.), and mule deer (Odocoileous hemionus). Our results indicate that certain node‐level metrics, namely degree, weight, and betweenness, perform well in capturing local patterns of space use, such as the definition of core areas and paths used for inter‐patch movement. These metrics were generally applicable across data sets, indicating their robustness to assumptions structuring analysis or strategies of movement. Other metrics capture local patterns effectively, but were sensitive to specified graph properties, indicating case specific applications. Our analysis indicates that graph‐level metrics are unlikely to outperform other approaches for the categorization of general movement strategies (central place foraging, migration, nomadism). By identifying critical nodes, our approach provides a robust quantitative framework to identify local properties of space use that can be used to evaluate the effect of the loss of specific nodes on range wide connectivity. Our network approach is intuitive, and can be implemented across imperfectly sampled or large‐scale data sets efficiently, providing a framework for conservationists to analyze movement data. Functions created for the analyses are available within the R package moveNT.
Medical findings in 1,026 consecutive adult inpatient–residential eating disordered patients
Authors: Mehler Philip S. , Blalock Dan V. , Walden Keegan , Kaur Simrat , McBride Jennifer , Walsh Kristine , Watts Jennifer
Published: February 2018

Objective

Eating disorders are associated with multiple medical complications. We report contemporary medical data, for newly admitted adult inpatient and residential level of care patients.

Method

Medical records of a transdiagnostic sample of 1,026 patients, with eating disorders, were retrospectively reviewed for the presence of a broad array of medical complications at time of admission. The prevalence of physiologically relevant medical complications was assessed across major eating disorder categories.

Results

Of the patients, 93.6% were female, and they had an average age of 28.1 (SD = 10.1, range 17–69). The average admission body mass index was 16.1 (SD = 2.3). The prevalence of abnormal laboratory values varied by eating disorder subtype. In patients with anorexia nervosa‐restricting subtype, 51.4% had low prealbumin, 36.1% were leukopenic, 34.3% had osteoporosis, 30.0% vitamin D deficiency, 16.8% metabolic alkalosis, 16.0% had hyponatremia, 14.2% hypokalemia, and 7.1% hypoglycemia. These patients had normal average QTc intervals. In patients with anorexia nervosa‐binge purging subtype, 42.4% had hypokalemia, 33.3% metabolic alkalosis, osteoporosis in 21.1%, and they had longer QTc intervals (433.9 ms, p < .001). Only 6.0% of patients with anorexia nervosa had hypophosphatemia. Patients with bulimia nervosa demonstrated hypokalemia in 26.2%, and metabolic alkalosis in 23.4%; the QTc interval was longer than in AN‐R patients (437.9 ms, p < .001), but still in the normal range.

Discussion

Numerous medical complications are associated with severe eating disorders. As the severity increases, the number of complications increase and are related to the presence or absence of purging behaviors.