bluuebunny/crossref_metadata_2025 huggingface dataset:
Redox Active Metal– and Covalent Organic Frameworks for Energy Storage: Balancing Porosity and Electrical Conductivity
Authors: Zhang Yugen , Riduan Siti Nurhanna , Wang Jinquan
Published: August 2017

Porous redox‐active metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) have emerged as electrode materials for energy storage devices. These porous frameworks have different levels of intrinsic properties such as low solubility, high ionic conductivity (porosity) and low electrical conductivity, all of which are critical parameters when utilised as electrode materials. This Minireview focuses on recent developments of using porous MOFs/COFs as redox active electrode materials for energy storage and strategies to improve their electrochemical performance.
Spatial and Lateral Control of Functionality by Rigid Molecular Platforms
Authors: Valášek Michal , Mayor Marcel
Published: August 2017

Surface mounted molecular devices have received significant attention in the scientific community because of their unique ability to construct functional materials. The key involves the platform on which the molecular device works on solid substrates, such as in solid–liquid or solid–vacuum interfaces. Here, we outline the concept of rigid molecular platforms to immobilize active functionality atop flat surfaces in a controllable manner. Most of these (multipodal) platforms have at least three anchoring groups to control the spatial arrangement of the protruding functional moieties and form mechanically stable and electronically tuned contacts to the underlying substrate. Another approach is based on employing of flat aromatic scaffolds bearing perpendicular functionalities that form stable lateral assemblies on various surfaces. Emphasis is placed on the need for controllable assembly and separation of these tailor‐made molecules that expose functionalities at the molecular scale. The discussions are focused on the different molecular designs realizing functional 3D architectures on surfaces, the role of various anchoring strategies to control the spatial arrangement, and structural considerations controlling physical features like the coupling to the surface or the available space for sterically demanding molecular operations.
Sinkender Sauerstoffgehalt der Meere
Authors: Feil Sylvia
Published: August 2017

Der Sauerstoffgehalt der Meere wird laut Modellen bis zum Jahr 2100 um ein bis sieben Prozent sinken. Eine aktuelle Studie betrachtet nun die aktuelle Verteilung und die Abnahme des Sauerstoffgehalts in den Weltmeeren über die letzten 60 Jahre [1].
Analytical modelling of cyclic steam stimulation (CSS) process with a horizontal well configuration
Authors: Saripalli Hari K. , Salari Hashem , Saeedi Majid , Hassanzadeh Hassan
Published: August 2017

In this study, a new semi‐analytical model has been developed to model heavy oil production using cyclic steam stimulation (CSS) and horizontal wells. In order to predict oil production, the governing equations of heat and fluid flow in cylindrical coordinate were solved. Average temperature in the formation during the soak period was calculated by solving the transient heat transfer equations. The heat transfer model was then coupled to a fluid inflow model to predict the fluid rates. The developed model is validated with the fine grid numerical simulation of the problem using a commercial numerical simulator. The robustness of the model was tested by comparing the model results with the results from the numerical simulator by changing various parameters such as: steam injection rates, reservoir permeability, relative permeability, oil viscosity, and reservoir thermal diffusivity. With some reasonable assumptions, it was seen that the results from the developed model are very close to the results obtained using the numerical simulator. This paper presents the model development in detail and outlines the steps involved in predicting the performance of a CSS process for a horizontal well configuration.
Quantum Chemical Analyses of BH4− and BH3OH− Hydride Transfers to CO2 in Aqueous Solution with Potentials of Mean Force
Authors: Groenenboom Mitchell C. , Keith John A.
Published: August 2017

Biomimetic hydride transfer catalysts are a promising route to efficiently convert CO2 into more useful products, but a lack of understanding about their atomic‐scale reaction mechanisms slows their development. To this end, we report a computational quantum chemistry study of how aqueous solvation influences CO2 reduction reactions facilitated by sodium borohydride (NaBH4) and a partially oxidized derivative (NaBH3OH). This work compares 0 K reaction barriers from nudged elastic band calculations to free‐energy barriers obtained at 300 K using potentials of mean force from umbrella sampling simulations. We show that explicitly treating free energies from reaction pathway sampling has anywhere from a small to a large effect on the reaction‐energy profiles for aqueous‐phase hydride transfers to CO2. Sampling along predefined reaction coordinates is thus recommended when it is computationally feasible.
Intermediate‐Valence Intermetallic Phase YbIn1–xAu1+x (x = 0‐0.3)†
Authors: Grin Yuri , Pöttgen Rainer , Ormeci Alim , Kremer Reinhard K. , Wagner Friedrich E.
Published: August 2017

Polycrystalline samples YbIn1–xAu1+x were prepared by reaction of the elements in sealed tantalum tubes at 1170 K with a subsequent annealing at 770 K. The crystal structures of YbInAu (space group P6;−2m, a = 7.6992(8), c = 4.0333(5) Å, wR2 = 0.035, 282 reflections and 14 variables) and YbIn0.73Au1.27 (P6;−2m, a = 7.706(3), c = 4.011(1) pm, wR2 = 0.035, 275 reflections, 14 parameters) were refined from single crystal X‐ray diffraction data. The phase YbIn1–xAu1+x has a homogeneity range for 0.0≤x≤0.3 (770 K). The crystal structure of YbInAu contains two gold atoms located in tricapped trigonal prisms [Au1Yb6In3] and [Au2In6Yb3]. The indium position shows mixed occupancy by indium and gold. The main atomic interaction is the ionic one between the ytterbium (charge +1.1 is obtained from the analysis of the electron density within the quantum theory of atoms in molecules) and gold (−1.2 and −1.3) supported by the dative bonding Au→Yb. The effective charge of indium is +0.2. Magnetic susceptibility data indicate intermediate valence for Yb increasing with increasing x. The 197Au Mössbauer spectra show a superposition of the signals for Au1 (δ = 3.31 mm s–1), Au2 (δ = 5.37 mm s–1), and Au(In) indicating auridic character of gold.
Synergistic effects of the combined use of human‐cultured periosteal sheets and platelet‐rich fibrin on bone regeneration: An animal study
Authors: Horimizu Makoto , Kubota Takehiko , Kawase Tomoyuki , Nagata Masaki , Kobayashi Mito , Okuda Kazuhiro , Nakata Koh , Yoshie Hiromasa
Published: August 2017

A human‐cultured alveolar bone‐derived periosteal (hCP) sheet is an osteogenic grafting material used clinically in periodontal regenerative therapy, while platelet‐rich fibrin (PRF), a platelet concentrate with fibrin clot, is considered to augment the wound healing process. Therefore, whether the combined use of hCP‐PRF complex could facilitate bone regeneration synergistically was evaluated in animal models. Human periosteal segments (1 × 1 mm) were cultured initially on plastic dishes and formed an hCP sheet. The hCP sheet was implanted with freshly prepared human PRF into subcutaneous tissue (hCP: n = 4, hCP + PRF: n = 4) and 4 mm diameter calvarial bone defect models (hCP: n = 4, hCP + PRF: n = 4, control [defect‐only]: n = 4) that prepared in nude mice. At 4 weeks postimplantation, new bone formation was evaluated by using μCT. Cell growth and neovascularization were evaluated by histochemical and immunohistological methods. In the subcutaneous tissue, mineral deposit formation, collagen deposition, and number of vessels were higher in the hCP + PRF group than in the hCP alone group. In the calvarial defect models, new bone formation was significantly higher in the hCP + PRF group than in the hCP alone group and defect‐only control group. The numbers of vessels and PCNA‐positive cells in calvarial defects were also increased in the hCP + PRF group more than in the hCP alone group. Platelet‐rich fibrin preparations support the proliferation and the growth of periosteal cells to form well‐combined active biological materials. Platelet‐rich fibrin also stimulates the local angiogenesis in the implantation site. Therefore, the combined use of hCP and PRF could be clinically applicable in bone regeneration therapy.
Energy‐efficient routing protocol to improve energy consumption in wireless sensors networks
Authors: ELkamel Rabiaa , Cherif Adnane
Published: August 2017

The energy consumption is considered to be the major challenge in wireless sensor networks. In this paper, we shed light on a new approach to overcome the energy consumption problems. The objective of this work is to integrate an improved algorithm which is the K‐means to create a balanced energy on clusters and to use the Gaussian elimination algorithm during the election of cluster head that will guarantee the distribution of energy consumption. To address the problem of the optimal number of groups, we use Davies Bouldin index to increase the network lifetime. The simulation result shows that the proposed protocol extends the network lifetime compared to Leach, iMod‐Leach, leach‐C, and CELRP.
Phenotypic outcomes in adolescence and adulthood in the scarcity‐adversity model of low nesting resources outside the home cage
Authors: Doherty Tiffany S. , Blaze Jennifer , Keller Samantha M. , Roth Tania L.
Published: August 2017

Early life adversity is known to disrupt behavioral trajectories and many rodent models have been developed to characterize these stress‐induced outcomes. One example is the scarcity‐adversity model of low nesting resources. This model employs resource scarcity (i.e., low nesting materials) to elicit adverse caregiving conditions (including maltreatment) toward rodent neonates. Our lab utilizes a version of this model wherein caregiving exposures occur outside the home cage during the first postnatal week. The aim of this study was to determine adolescent and adult phenotypic outcomes associated with this model, including assessment of depressive‐ and anxiety‐like behaviors and performance in different cognitive domains. Exposure to adverse caregiving had no effect on adolescent behavioral performance whereas exposure significantly impaired adult behavioral performance. Further, adult behavioral assays revealed substantial differences between sexes. Overall, data demonstrate the ability of repeated exposure to brief bouts of maltreatment outside the home cage in infancy to impact the development of several behavioral domains later in life.
Is laxative misuse associated with binge eating? Examination of laxative misuse among individuals seeking treatment for eating disorders
Authors: Elran‐Barak Roni , Goldschmidt Andrea B. , Crow Scott J. , Peterson Carol B. , Hill Laura , Crosby Ross D. , Mitchell James E. , Le Grange Daniel
Published: August 2017

Objective

Our research focuses on laxative misuse, which has been understudied in previous eating disorders (ED) research, to understand its prevalence and correlates among individuals seeking ED treatment. We also test the association between laxative misuse and binge eating to examine the assumption that laxative misuse is intended to compensate for binge eating.

Method

Participants were 2,295 ED treatment‐seeking adults (29.5 ± 10.5) who self‐reported their disordered eating behaviors on the Eating Disorder Questionnaire. Participants met DSM‐5 diagnostic criteria for anorexia nervosa (AN: 11.5%, n = 264), bulimia nervosa (BN: 39.0%, n = 896), binge‐eating disorder (14.9%, n = 343), or other specified feeding or eating disorder (34.5%, n = 792).

Results

Nearly 25% of participants (n = 571) reported misusing laxatives during the last month. Laxative misusers with AN reported significantly higher frequency of laxative misuse relative to misusers with BN (F(1,440) = 5.226, p = .023,
= .012). Among laxative misusers, there was no association between frequency of binge eating and frequency of laxative misuse.

Discussion

Laxative misusers with AN tend to misuse laxatives more frequently than those with BN. Binge eating was not related to laxative misuse in our sample. Future research may use real‐time data collection to understand the function of laxative misuse and to validate our cross‐sectional findings.
Functional differentiation in pollination processes among floral traits inSerapiasspecies (Orchidaceae)
Authors: Pellegrino Giuseppe , Bellusci Francesca , Palermo Anna Maria
Published: August 2017

Floral displays, influencing attractiveness to insects, increase the number of pollinator visits and the efficiency of each visit in terms of pollen exchange and thus affect the plant reproductive success. Here, we conducted an in situ manipulation experiment to investigate whether the floral modifications affect reproductive success in natural orchid populations ofSerapias linguaandSerapias vomeracea. We estimated male and female reproductive success of three treatment groups, disassembly of floral tube, cutting of lip, and painting of the callus surface, in terms of pollinaria removed/deposited and fruit production. Results revealed that phenotypic modification had opposite effects on reproductive success of two examine species. Indeed, reproductive success was significantly increased by the detached of the petals and sepals, and decreased, due to callus painting and lip removal, inS. lingua. On the contrary, unmanipulated plants ofS. vomeraceashowed significantly higher value of pollinaria removed and deposited and fruit set than manipulated ones. The differences betweenS. linguaandS. vomeraceaagree to the different pollination strategy of examined species.S. vomeraceashows shelter imitation strategy, and thus, the disassembly of tunnel‐like corolla does not allow the insects to use the flower as a refuge, whileS. linguais a sexually deceptive orchid and therefore the opening of the flower made more visible callus (visible at a greater distance) increasing the pollinators attraction. This study provides evidence that pollinators were largely sensitive to the experimental modification of the flower phenotype, which is consistent with the presence of significant selection on individual floral characters. Our experimental investigations of the effects of variation in display on pollinator visitation provide insights into the evolution of floral morphology in orchid with shelter imitation strategy.
Morphological convergence in a Mexican garter snake associated with the ingestion of a novel prey
Authors: Manjarrez Javier , Macías Garcia Constantino , Drummond Hugh
Published: August 2017

Morphological convergence is expected when organisms which differ in phenotype experience similar functional demands, which lead to similar associations between resource utilization and performance. To consume prey with hard exoskeletons, snakes require either specialized head morphology, or to deal with them when they are vulnerable, for example, during molting. Such attributes may in turn reduce the efficiency with which they prey on soft‐bodied, slippery animals such as fish. Snakes which consume a range of prey may present intermediate morphology, such as that of Thamnophiine (Natricinae), which may be classified morphometrically across the soft–hard prey dietary boundary. In this study, we compared the dentition and head structure of populations ofThamnophis melanogasterthat have entered the arthropod–crustacean (crayfish)‐eating niche and those that have not, and tested for convergence between the former and two distantly related crayfish specialists of the genusRegina(R.septemvittataandR. grahamii). As a control, we included the congenerT. eques. Multivariate analysis of jaw length, head length, head width, and number of maxillary teeth yielded three significant canonical variables that together explained 98.8% of the variance in the size‐corrected morphological data. The first canonical variable significantly discriminated between the three species. The results show that head dimensions and number of teeth of the twoReginaspecies are more similar to those of crayfish‐eatingT. melanogasterthan to non‐crayfish‐eating snakes or ofT. eques. It is unclear how particular head proportions or teeth number facilitates capture of crayfish, but our results and the rarity of soft crayfish ingestion byT. melanogastermay reflect the novelty of this niche expansion, and are consistent with the hypothesis that some populations ofT. melanogasterhave converged in their head morphology with the two soft crayfish‐eatingReginaspecies, although we cannot rule out the possibility of a morphological pre‐adaptation to ingest crayfish.
Logged peat swamp forest supports greater macrofungal biodiversity than large‐scale oil palm plantations and smallholdings
Authors: Shuhada Siti Noor , Salim Sabiha , Nobilly Frisco , Zubaid Akbar , Azhar Badrul
Published: August 2017

Intensive land expansion of commercial oil palm agricultural lands results in reducing the size of peat swamp forests, particularly in Southeast Asia. The effect of this land conversion on macrofungal biodiversity is, however, understudied. We quantified macrofungal biodiversity by identifying mushroom sporocarps throughout four different habitats; logged peat swamp forest, large‐scale oil palm plantation, monoculture, and polyculture smallholdings. We recorded a total of 757 clusters of macrofungi belonging to 127 morphospecies and found that substrates for growing macrofungi were abundant in peat swamp forest; hence, morphospecies richness and macrofungal clusters were significantly greater in logged peat swamp forest than converted oil palm agriculture lands. Environmental factors that influence macrofungi in logged peat swamp forests such as air temperature, humidity, wind speed, soilpH, and soil moisture were different from those in oil palm plantations and smallholdings. We conclude that peat swamp forests are irreplaceable with respect to macrofungal biodiversity. They host much greater macrofungal biodiversity than any of the oil palm agricultural lands. It is imperative that further expansion of oil palm plantation into remaining peat swamp forests should be prohibited in palm oil producing countries. These results imply that macrofungal distribution reflects changes in microclimate between habitats and reduced macrofungal biodiversity may adversely affect decomposition in human‐modified landscapes.
Predicting coexistence in species with continuous ontogenetic niche shifts and competitive asymmetry
Authors: Bassar Ronald D. , Travis Joseph , Coulson Tim
Published: August 2017

A longstanding problem in ecology is whether structured life cycles impede or facilitate coexistence between species. Theory based on populations with only two discrete stages in the life‐cycle indicates that for two species to coexist, at least one must shift its niche between stages and each species must be a better competitor in one of the niches. However, in many cases, niche shifts are associated with changes in an underlying continuous trait like body size and we have few predictions concerning conditions for coexistence for such a widespread form of ontogenetic development. We develop a framework for analyzing species coexistence based on Integral Projection Models (IPMs) that incorporates continuous ontogenetic changes in both the resource niche and competitive ability. We parameterize the model using experimental data from Trinidadian guppies and show how niche shifts and competitive symmetries impact species coexistence. Overall, our results show that the effects of competition on fitness depend upon trait‐mediated niche‐separation, trait‐mediated competitive asymmetry in the part of the niche that is shared across body sizes, and the sensitivity of fitness to body size. Interactions among these processes generate multiple routes to coexistence. We discuss how our modeling framework expands results from two‐stage models to mutli‐stage or continuous stage models and allows for deriving predictions that can be tested in populations displaying continuous changes in niche use and competitive ability.
The TGx‐28.65 biomarker online application for analysis of transcriptomics data to identify DNA damage‐inducing chemicals in human cell cultures
Authors: Jackson Marcus A. , Yang Longlong , Lea Isabel , Rashid Asif , Kuo Byron , Williams Andrew , Lyn Yauk Carole , Fostel Jennifer
Published: August 2017

The TGx‐28.65 biomarker is a 65‐gene expression profile generated from testing 28 model chemicals (13 that cause DNA damage and 15 that do not) in human TK6 cells. It is used to predict whether a chemical induces DNA damage or not. We expanded availability to the biomarker by developing the online TGx‐28.65 biomarker application for predicting the DNA damage inducing (DDI) potential of suspect toxicants tested in p53‐proficient human cells and assessing putative mode(s) of action (MOA). Applications like this that analyse gene expression data to predict the hazard potential of test chemicals hold great promise for risk assessment paradigms. The TGx‐28.65 biomarker interfaces with an analytical tool to predict the probability that a test chemical can directly or indirectly induce DNA damage. User submitted in vitro microarray data are compared to the 28‐chemical x 65‐gene signature profile and the probability that the data fit the profile for a DDI or a non‐DDI (NDDI) chemical is calculated. The results are displayed in the Results Table, which includes the classification probability and hyperlinks to view heatmaps, hierarchical clustering, and principal component analyses of user‐input data in the context of the reference profile. The heatmaps and cluster plots, along with the corresponding text data files of fold changes in gene expression and Euclidean distances can be downloaded. Review of the test chemical data in relationship to the biomarker allows rapid identification of key gene alterations associated with DNA damage as well as chemicals in the reference set that produced a similar response. Environ. Mol. Mutagen. 58:529–535, 2017. © 2017 Wiley Periodicals, Inc.
Sesamol ameliorates radiation induced DNA damage in hematopoietic system of whole body γ‐irradiated mice
Authors: Kumar Arun , Choudhary Sandeep , Adhikari Jawahar S. , Chaudhury Nabo K.
Published: August 2017

Ionizing radiation exposure is harmful and at high doses can lead to acute hematopoietic radiation syndrome. Therefore, agents that can protect hematopoietic system are important for development of radioprotector. Sesamol is a potential molecule for development of radioprotector due to its strong free radical scavenging and antioxidant properties. In the present study, sesamol was evaluated for its role in DNA damage and repair in hematopoietic system of γ‐irradiated CB57BL/6 mice and compared with amifostine. C57BL/6 male mice were administered with sesamol 20 mg/kg (i.p.) followed by 2 Gy whole body irradiation (WBI) at 30 min. Mice were sacrificed at 0.5, 3, 24 h postirradiation; bone marrow, splenocytes, and peripheral blood lymphocytes were isolated to measure DNA damages and repair using alkaline comet,γ‐H2AXand micronucleus assays. An increase in % of tail DNA was observed in all organs of WBI mice. Whereas in pre‐administered sesamol reduced %DNA in tail (P ≤ 0.05). Sesamol has also reduced formation of radiation induced γ‐H2AX foci after 0.5 h in these organs and further lowered to respective control values at 24 h of WBI. Similar reduction of % DNA in tail and γ‐H2AX foci were observed with amifostine (P ≤ 0.05). Analysis of mnPCE frequency at 24 h has revealed similar extent of protection by sesamol and amifostine. Interestingly, both sesamol and amifostine, alone and with radiation, also increased the granulocytes count significantly compared to the control (P ≤ 0.05). These findings suggest that sesamol has strong potential to protect hematopoietic system by lowering radiation induced DNA damages and can prevent acute hematopoietic syndrome in mice. Environ. Mol. Mutagen. 59:79–90, 2018. © 2017 Wiley Periodicals, Inc.
Neural correlates of “Theory of Mind” in very preterm born children
Authors: Mossad Sarah I. , Smith Mary Lou , Pang Elizabeth W. , Taylor Margot J.
Published: August 2017

Very preterm (VPT) birth (<32 weeks’ gestational age) has been implicated in social‐cognitive deficits including Theory of Mind (ToM); the ability to attribute mental states to others and understand that those beliefs can differ from one's own or reality. The neural bases for ToM deficits in VPT born children have not been examined. We used magnetoencephalography (MEG) for its excellent spatial and temporal resolution to determine the neural underpinnings of ToM in 24 VPT and 24 full‐term born (FT) children (7–13 years). VPT children performed more poorly on neuropsychological measures of ToM but not inhibition. In the MEG task, both FT children and VPT children recruited regions involved in false belief processing such as the rIFG (VPT: 275–350 ms, FT: 250–375 ms) and left inferior temporal gyrus (VPT: 375–450 ms, FT: 325–375 ms) and right fusiform gyrus (VPT: 150–200 ms, FT: 175–250 ms). The rIPL (included in the temporal‐parietal junction) was recruited in FT children (475–575 ms) and the lTPJ in VPT children (500–575 ms). However, activations in all regions were reduced in the VPT compared to the FT group. We suggest that with increasing social‐cognitive demands such as varying the type of scenarios in the standardized measure of ToM, reduced activations in the rIFG and TPJ in the VPT group may reflect the decreased performance. With access to both spatial and temporal information, we discuss the role of domain general and specific regions of the ToM network in both groups. Hum Brain Mapp 38:5577–5589, 2017. © 2017 Wiley Periodicals, Inc.
Identifying and analyzing critical factors impacting on passenger comfort employing a hybrid model
Authors: Liu Jing , Yu Suihuai , Chu Jianjie , Gou Bingchen
Published: August 2017

With the increase in air travel, comfort is becoming an important issue with which airlines differentiate themselves in a competitive market. Passengers are paying more attention to their comfort experience during flights. However, passenger comfort is affected by various factors that result from the complex cabin system. Besides, the factors have interrelations between one another. How to identify the key factors and comb through their interrelations to improve passenger comfort efficiently is a critical problem in cabin design. To solve this problem, a hybrid model is proposed to identify the key factors and discuss the interrelation between them based on the questionnaire data. First, factor analysis is conducted to segment complex influencing factors into groups and to extract the most important factors. Decision Making Trial and Evaluation Laboratory (DEMATEL) method and fuzzy set theory are combined in the next analysis, considering both the interrelation between factors and the fuzziness of subjective comfort perception concurrently. It forms a structural model and then visualizes the causal relationships among factors through a causal diagram. The results of an empirical study show that the proposed model is capable of identifying the critical factors that affect passenger comfort effectively and could offer a priority of factors to improve passenger comfort.
Memory integration in humans with hippocampal lesions
Authors: Pajkert Anna , Finke Carsten , Shing Yee Lee , Hoffmann Martina , Sommer Werner , Heekeren Hauke R. , Ploner Christoph J.
Published: August 2017

Adaptive behavior frequently depends on inference from past experience. Recent studies suggest that the underlying process of integrating related memories may depend on interaction between hippocampus and prefrontal cortex. Here, we investigated how hippocampal damage affects memory integration. Subjects with mediotemporal lesions and healthy controls learned a set of overlapping AB‐ and BC‐associations (object‐face‐ and face‐object pairs) and were then tested for memory of these associations (“direct” trials) and of inferential AC‐associations (“indirect” trials). The experiment consisted of four encoding/retrieval cycles. In direct trials, performance of patients and controls was similar and stable across cycles. By contrast, in indirect trials, patients and controls showed distinct patterns of behavior. Whereas patients and controls initially showed only minor differences, controls increased performance across subsequent cycles, while patient performance decreased to chance level. Further analysis suggested that this deficit was not merely a consequence of impaired associative memory but rather resulted from an additional hippocampal contribution to memory integration. Our findings further suggest that contextual factors modulate this contribution. Patient deficits in more complex memory‐guided behavior may depend on the flexible interaction of hippocampus‐dependent and ‐independent mechanisms of memory integration.
Resting‐state fMRI and social cognition: An opportunity to connect
Authors: Doruyter Alex , Groenewold Nynke A. , Dupont Patrick , Stein Dan J. , Warwick James M.
Published: August 2017

Many psychiatric disorders are characterized by altered social cognition. The importance of social cognition has previously been recognized by the National Institute of Mental Health Research Domain Criteria project, in which it features as a core domain. Social task‐based functional magnetic resonance imaging (fMRI) currently offers the most direct insight into how the brain processes social information; however, resting‐state fMRI may be just as important in understanding the biology and network nature of social processing. Resting‐state fMRI allows researchers to investigate the functional relationships between brain regions in a neutral state: so‐called resting functional connectivity (RFC). There is evidence that RFC is predictive of how the brain processes information during social tasks. This is important because it shifts the focus from possibly context‐dependent aberrations to context‐independent aberrations in functional network architecture. Rather than being analysed in isolation, the study of resting‐state brain networks shows promise in linking results of task‐based fMRI results, structural connectivity, molecular imaging findings, and performance measures of social cognition—which may prove crucial in furthering our understanding of the social brain.
Analysis of the contributions of topographic, soil, and vegetation features on the spatial distributions of surface soil moisture in a steep natural forested headwater catchment
Authors: Liang Wei‐Li , Li Sheng‐Lun , Hung Feng‐Xu
Published: August 2017

Surface soil moisture has been extensively studied for various land uses and landforms. Although many studies have reported potential factors that control surface soil moisture over space or time, the findings have not always been consistent, indicating a need for identification of the main factors. This study focused on the static controls of topographic, soil, and vegetation features on surface soil moisture in a steep natural forested headwater catchment consisting of three hillslope units of a gully area, side slope, and valley‐head slope. Using a simple correlation analysis to investigate the effects of the static factors on surface soil moisture at depths of 0–20 cm at 470 points in 13 surveys, we addressed the characteristics of surface soil moisture and its main controlling factors. The results indicated that the mean of surface soil moisture was in the decreasing order of gully area > valley‐head slope > side slope. The relationship between the mean and standard deviation of surface soil moisture showed a convex‐upward shape in the headwater catchment, a negative curvilinear shape in the gully area, and positive curvilinear shapes at the side and valley‐head slopes. At the headwater catchment and valley‐head slope, positive contributions of soil porosity and negative contributions of slope gradient and saturated hydraulic conductivity were the main controlling factors of surface soil moisture under wetter conditions, whereas positive contributions of topographic wetness index and negative contributions of vegetation density were the main controlling factors of surface soil moisture under drier conditions. At the side slope underlain by fractured bedrocks, only saturated hydraulic conductivity and vegetation density were observed to be the controlling factors. Surface soil moisture in the gully area was mainly affected by runoff rather than were static features. Thus, using hillslope units is effective for approximately estimating the hydrological behaviours of surface moisture on a larger scale, whereas dependency between the main static factors and moisture conditions is helpful for estimating the spatial distributions of surface moisture on a smaller scale.
Effects of phenology and meteorological disturbance on litter rainfall interception for a Pinus elliottii stand in the Southeastern United States
Authors: Van Stan John T. , Coenders‐Gerrits Miriam , Dibble Michael , Bogeholz Philine , Norman Zachary
Published: August 2017

Litter layers develop across a diverse array of vegetated ecosystems and undergo significant temporal compositional changes due to canopy phenological phases and disturbances. Past research on temporal dynamics of litter interception has focused primarily on litter thickness and leaf fall, yet forest phenophases can change many more litter attributes (e.g., woody debris, bark shedding, and release of reproductive materials). In this study, weekly changes in litter composition over 1 year were used to estimate litter water storage dynamics and model event‐based litter interception. Litter interception substantially reduced throughfall (6–43%), and litter water storage capacity ranged from 1 to 3 mm, peaking when megastrobili release and liana leaf senescence occurred simultaneously during fall 2015. Tropical storm disturbances occurred during the sampling period, allowing evaluation of how meteorological disturbances altered litter interception. High wind speeds and intense rainfall from 2 tropical storms increased litter interception by introducing new woody debris, which, in this study, stored more water than the pre‐existing woody debris. After 2 extreme weather events, a third (Hurricane Hermine) did not increase woody debris (or litter interception), suggesting that the canopy pool of branches susceptible to breakage had been largely depleted. Needle and bark shedding had minor effects on litter interception. Results suggest that the release of reproductive materials and meteorological disturbances appear to be the major compositional drivers of litter interception beyond their obvious contribution to litter thickness.
A model for prioritizing landfills for remediation and closure: A case study in Serbia
Authors: Ubavin Dejan , Agarski Boris , Maodus Nikola , Stanisavljevic Nemanja , Budak Igor
Published: August 2017

The existence of large numbers of landfills that do not fulfill sanitary prerequisites presents a serious hazard for the environment in lower income countries. One of the main hazards is landfill leachate that contains various pollutants and presents a threat to groundwater. Groundwater pollution from landfills depends on various mutually interconnected factors such as the waste type and amount, the amount of precipitation, the landfill location characteristics, and operational measures, among others. Considering these factors, lower income countries face a selection problem where landfills urgently requiring remediation and closure must be identified from among a large number of sites. The present paper proposes a model for prioritizing landfills for closure and remediation based on multicriteria decision making, in which the hazards of landfill groundwater pollution are evaluated. The parameters for the prioritization of landfills are the amount of waste disposed, the amount of precipitation, the vulnerability index, and the rate of increase of the amount of waste in the landfill. Verification was performed using a case study in Serbia where all municipal landfills were included and 128 landfills were selected for prioritization. The results of the evaluation of Serbian landfills, prioritizing sites for closure and remediation, are presented for the first time. Critical landfills are identified, and prioritization ranks for the selected landfills are provided. Integr Environ Assess Manag 2018;14:105–119. © 2017 SETAC

Key Points

Municipal landfills without appropriate cover layers and leachate collection. The selection problem among numerous critical landfills in developing countries. Multicriteria decision making considering landfill groundwater pollution and other hazards. A model for prioritization of landfills for closure and remediation is presented.
Alkyl chitosan film‐high strength, functional biomaterials
Authors: Lu Li , Xing Cao , Xin Shen , Shitao Yu , Feng Su , Shiwei Liu , Fusheng Liu , Congxia Xie
Published: August 2017

Biofilm with strong tensile strength is a topic item in the area of tissue engineering, medicine engineering, and so forth. Here we introduced an alkyl chitosan film with strong tensile strength and its possibility for an absorbable anticoagulation material in vivo was tested in the series of blood test, such as dynamic coagulation time, plasma recalcification time and hemolysis. Alkyl chitosan film was a better biomaterial than traditional chitosan film in the anticoagulation, tissue compatibility and cell compatibility. The unique trait of alkyl chitosan film may be for its greater contact angle and hydrophobicity ability to reduce the adsorption capacity for the blood component and the activity of fibrinolytic enzymes, enhance the antibacterial capacity than chitosan film. Moreover, none of chitosan film or butyl chitosan film exhibited quick inflammation or other disadvantage and degraded quickly by implanted test. Therefore, Alkyl chitosan film is of prospective properties as an implantable, absorbable agent for tissue heals, and this material need further research. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 3034–3041, 2017.
Multimodal analysis of in vivo resorbable CaP bone substitutes by combining histology, SEM, and microcomputed tomography data
Authors: Sweedy Ahmed , Bohner Marc , Baroud Gamal
Published: August 2017

This study introduced and demonstrated a new method to investigate the repair process of bone defects using micro‐ and macroporous beta‐tricalcium phosphate (β‐TCP) substitutes. Specifically, the new method combined and aligned histology, SEM, and preimplantation microcomputed tomography (mCT) data to accurately characterize tissue phases found in biopsies, and thus better understand the bone repair process. The results included (a) the exact fraction of ceramic remnants (CR); (b) the fraction of ceramic resorbed and substituted by bone (CSB); and (c) the fraction of ceramic resorbed and not substituted by bone (CNSB). The new method allowed in particular the detection and quantification of mineralized tissues within the 1–10 µm micropores of the ceramic (“micro‐bone”). The utility of the new method was demonstrated by applying it on biopsies of two β‐tricalcium phosphate bone substitute groups with two differing macropore sizes implanted in an ovine model for 6 weeks. The total bone deposition and ceramic resorption of the two substitute groups, having macropore sizes of 510 and 1220 μm, were 25.1 ± 8.1% and 67.5 ± 3.2%, and 24.4 ± 4.1% and 61.4 ± 6.5% for the group having the larger pore size. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1567–1577, 2018.
(−)‐Epicatechin rescues the As2O3‐induced HERG K+ channel deficiency possibly through upregulating transcription factor SP1 expression
Authors: Dong Zengxiang , Shi Yuanqi , Feng Lifang , Shen Zhaoqian , Fang Li , Zheng Sijia , Hai Xin , Li Baoxin
Published: August 2017

(−)‐Epicatechin (EPI) has beneficial effects on the cardiovascular disease. The human ether‐a‐go‐go‐related gene (HERG) potassium channel is crucial for repolarization of cardiac action potential. Dysfunction of the HERG channel can cause long QT syndrome type 2 (LQT2). Arsenic trioxide (As2O3) has shown efficacy in the treatment of acute promyelocytic leukemia. However, As2O3 can induce the deficiency of HERG channel and cause LQT2. In this study, we examined whether EPI could rescue the As2O3‐induced HERG channel deficiency. We found that 3 μM EPI obviously increased protein expression and current of HERG channel. EPI was able to recover the protein expression and current of HERG channel disrupted by As2O3. EPI was able to increase the expression of SP1 protein and recover the expression of SP1 protein disrupted by As2O3. In addition, EPI significantly shortened action potential duration prolonged by As2O3. Our data suggest that EPI rescues As2O3‐induced HERG channel deficiency through upregulating SP1 expression.
Analytical nuclear excited‐state gradients for the Tamm–Dancoff approximation using uncoupled frozen‐density embedding
Authors: Heuser Johannes , Höfener Sebastian
Published: August 2017

We report the derivation and implementation of analytical nuclear gradients for excited states using time‐dependent density functional theory using the Tamm–Dancoff approximation combined with uncoupled frozen‐density embedding using density fitting. Explicit equations are presented and discussed. The implementation is able to treat singlet as well as triplet states and functionals using the local density approximation, the generalized gradient approximation, combinations with Hartree–Fock exchange (hybrids), and range‐separated functionals such as CAM‐B3LYP. The new method is benchmarked against supermolecule calculations in two case studies: The solvatochromic shift of the (vertical) fluorescence energy of 4‐aminophthalimide on solvation, and the first local excitation of the benzonitrile dimer. Whereas for the 4‐aminophthalimide–water complex deviations of about 0.2 eV are obtained to supermolecular calculations, for the benzonitrile dimer the maximum error for adiabatic excitation energies is below 0.01 eV due to a weak coupling of the subsystems. © 2017 Wiley Periodicals, Inc.
Generalization of the Schrödinger Theory of Electrons
Authors: Sahni Viraht
Published: August 2017

The Schrödinger theory for a system of electrons in the presence of both a static and time‐dependent electromagnetic field is generalized so as to exhibit the intrinsic self‐consistent nature of the corresponding Schrödinger equations. This is accomplished by proving that the Hamiltonian in the stationary‐state and time‐dependent cases
are exactly known functionals of the corresponding wave functions
, that is,
and
. Thus, the Schrödinger equations may be written as
and
. As a consequence the eiegenfunctions and energy eigenvalues
of the stationary‐state equation, and the wave function
of the temporal equation, can be determined self‐consistently. The proofs are based on the “Quantal Newtonian” first and second laws which are the equations of motion for the individual electron amongst the sea of electrons in the external fields. The generalization of the Schrödinger equation in this manner leads to additional new physics. The traditional description of the Schrödinger theory of electrons with the Hamiltonians
known constitutes a special case. © 2017 Wiley Periodicals, Inc.
Electronic structure, magnetic properties, and mixed valence character of Ce2Ni3Si5 from first principles calculations
Authors: Ibrahim Ismail A. M.
Published: August 2017

Cerium intermetallic compounds exhibit anomalous physical properties such as heavy fermion and Kondo behaviors. Here, an ab initio study of the electronic structure, magnetic properties, and mixed valence character of Ce2Ni3Si5 using density functional theory (DFT) is presented. Two theoretical methods, including pure Perdew–Burke–Ernzerhof (PBE) and PBE + U, are used. In this study, Ce3+ and Ce4+ are considered as two different constituents in the unit cell. The formation energy calculations on the DFT level propose that Ce is in a stable mixed valence of 3.379 at 0 K. The calculated electronic structure shows that Ce2Ni3Si5 is a metallic compound with a contribution at the Fermi level from Ce 4f and Ni 3d states. With the inclusion of the effective Hubbard parameter (Ueff), the five valence electrons of 5 Ce3+ ions are distributed only on Ce3+ 4f orbitals. Therefore, the occupied Ce3+ 4f band is located in the valence band (VB) while Ce4+ 4f orbitals are empty and Located at the Fermi level. The calculated magnetic moment in Ce2Ni3Si5 is only due to cerium (Ce3+) in good agreement with the experimental results. The Ueff value of 5.4 eV provides a reasonable magnetic moment of 0.981
for the unpaired electron per Ce3+ ion. These results may serve as a guide for studying present mixed valence cerium‐based compounds. © 2017 Wiley Periodicals, Inc.
Azide‐substituted Poly(N‐ethyl‐3‐vinylcarbazole) as a Thermally Cross‐Linkable Hole‐Transporting Material for Polymeric Light‐Emitting Diodes
Authors: Leung Man‐kit , Chang Chiou‐Ling , Chang Chung‐Yi , Chuang Ching‐Nan , Lin Che‐Tseng
Published: August 2017

We have successfully synthesized a series of thermally cross‐linkable azide‐substituted poly(N‐ethyl‐3‐vinylcarbazoles) P1–P6. These polymers can be self‐cross‐linked by heat treatment under atmospheric conditions to form insoluble polymer matrices. Their electronic properties can be tuned by using various triphenylamine‐substituted alkyne‐based curing agents as additives. The polymeric materials can be simply coated on a substrate by spin coating or dip coating. Through the Huisgen 1,3‐dipolar cycloaddition reaction, the polymeric film can be cured by alkyne‐based curing agents effectively under copper‐free conditions. This approach can be utilized in the fabrication of multilayer polymeric light‐emitting devices (PLEDs). Under optimized conditions, we have demonstrated that the PLED of ITO/cured P5/PVK‐Ir(ppy)3‐t‐PBD/Mg–Ag shows a turn‐on voltage of 10.1 V (1 cd/m2), with the maximum brightness of 7851 cd/m2 and current efficiency of 12.8 cd/A.