bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolation of the Metalated Ylides [Ph3P−C−CN]M (M=Li, Na, K): Influence of the Metal Ion on the Structure and Bonding Situation
Authors: Schwarz Christopher , Scharf Lennart T. , Scherpf Thorsten , Weismann Julia , Gessner Viktoria H. 
Published: December 2018

AbstractThe isolation and structural characterization of the cyanido‐substituted metalated ylides [Ph3P−C−CN]M (1‐M; M=Li, Na, K) are reported with lithium, sodium, and potassium as metal cations. In the solid‐state, most different aggregates could be determined depending on the metal and additional Lewis bases. The crown‐ether complexes of sodium (1‐Na) and potassium (1‐K) exhibited different structures, with sodium preferring coordination to the nitrogen end, whereas potassium binds in an unusual η2‐coordination mode to the two central carbon atoms. The formation of the yldiide was accompanied by structural changes leading to shorter C−C and longer C−N bonds. This could be attributed to the delocalization of the free electron pairs at the carbon atom into the antibonding orbitals of the CN moiety, which was confirmed by IR spectroscopy and computational studies. Detailed density functional theory calculations show that the changes in the structure and the bonding situation were most pronounced in the lithium compounds due to the higher covalency.
Using OmicsNet for Network Integration and 3D Visualization
Authors: Zhou Guangyan , Xia Jianguo 
Published: December 2018

AbstractOmicsNet is a novel web‐based tool for creating and visualizing complex biological networks in 3D space. By coupling a comprehensive knowledgebase with the powerful WebGL technology, OmicsNet allows researchers to intuitively explore molecular interactions and regulatory relationships among genes, transcription factors, microRNAs, and metabolites. OmicsNet fills an important gap by facilitating multi‐omics integration and systems biology. This article contains three basic protocols covering the key features of OmicsNet, including how to create biological networks from a single or multiple list(s) of molecules, how to integrate or enrich different types of networks, and how to navigate the 3D visualization system to obtain biological insights. The OmicsNet web server is freely available at https://www.omicsnet.ca. © 2018 by John Wiley & Sons, Inc.
Atomic Force Microscopy Meets Biophysics, Bioengineering, Chemistry, and Materials Science
Authors: Toca‐Herrera José L. 
Published: December 2018

AbstractBriefly, herein the use of atomic force microscopy (AFM) in the characterization of molecules and (bioengineered) materials related to chemistry, materials science, chemical engineering, and environmental science and biotechnology is reviewed. First, the basic operations of standard AFM, Kelvin probe force microscopy, electrochemical AFM, and tip‐enhanced Raman microscopy are described. Second, several applications of these techniques to the characterization of single molecules, polymers, biological membranes, films, cells, hydrogels, catalytic processes, and semiconductors are provided and discussed.
Apolipoprotein CIII and diabetes. Is there a link?
Authors: Christopoulou Eliza , Tsimihodimos Vasilios , Filippatos Theodosios , Elisaf Moses 
Published: December 2018

SummaryApolipoprotein CIII (ApoCIII), a small protein that resides on the surface of lipoprotein particles, is a key regulator of triglyceride metabolism. The inhibition of lipoprotein lipase (LPL), the increased assembly and secretion of very low‐density lipoproteins (VLDL) and the decreased reuptake of triglyceride‐rich lipoproteins (TRLs) by the liver are mechanisms associating elevated serum ApoCIII levels and hypertriglyceridemia. ApoCIII concentration is high in individuals with diabetes mellitus, indicating a possible positive correlation with impairment of glucose metabolism. The aim of this review (based on a Pubmed search until August 2018) is to present the possible mechanisms linking ApoCIII and deterioration of carbohydrate homeostasis. ApoCIII enhances pancreatic β‐cells apoptosis via an increase of the cytoplasmic Ca2+ levels in the insulin‐producing cells. In addition, overexpression of ApoCIII enhances non‐alcoholic fatty liver disease and exacerbates inflammatory pathways in skeletal muscles, affecting insulin signalling and thereby inducing insulin resistance. Moreover, recent studies reveal a possible mechanism of body weight increase and glucose production through a potential ApoCIII‐induced LPL inhibition in the hypothalamus. Also, the presence of ApoCIII on the surface of high‐density lipoprotein particles is associated with impairment of their antiglycemic and atheroprotective properties. Modulating ApoCIII may be a potent therapeutic approach to manage hypertriglyceridemia and improve carbohydrate metabolism.
The three regimes of spatial recovery
Authors: Zelnik Yuval R. , Arnoldi Jean‐François , Loreau Michel 
Published: December 2018

AbstractAn enduring challenge for ecology is identifying the drivers of ecosystem and population stability. In a spatially explicit context, key features to consider are landscape spatial structure, local interactions, and dispersal. Substantial work has been done on each of these features as a driver of stability, but little is known on the interplay between them. Missing has been a more integrative approach, able to map and identify different dynamical regimes, predicting a system's response to perturbations. Here we first consider a simple scenario, i.e., the recovery of a homogeneous metapopulation from a single localized pulse disturbance. The analysis of this scenario reveals three fundamental recovery regimes: Isolated Regime when dispersal is not significant, Rescue Regime when dispersal mediates recovery, and Mixing Regime when perturbations spread throughout the system. Despite its simplicity, our approach leads to remarkably general predictions. These include the qualitatively different outcomes of various scenarios of habitat fragmentation, the surprising benefits of local extinctions on population persistence at the transition between regimes, and the productivity shifts of metacommunities in a changing environment. This study thus provides context to known results and insight into future directions of research.
Electrophoresis of megaDalton proteins inside colloidal silica
Authors: Ragland Tamika S. , Gossage Melody D. , Furtaw Michael D. , Anderson Jon P. , Steffens David L. , Wirth Mary J. 
Published: December 2018

AbstractWith the growth of the biopharmaceutical industry, there is a need for rapid size‐analysis of proteins on the megaDalton scale. The large pore sizes needed for such separations cannot be easily reached by pushing the current limits of size‐exclusion chromatography or gel electrophoresis. The concept detailed here is the formation of arbitrarily wide pores by packing nonporous colloidal silica in capillaries. This method can be called packed‐capillary electrophoresis, or “pCE”. Electrophoresis of protein standards (11–155 kDa) by pCE, using 345 nm diameter particles in 100 μm diameter capillaries, gives 2x higher resolution than a typical PAGE gel in 1/6 of the time. The electropherograms show that pCE is highly efficient, with half‐micrometer plate heights for all seven standards, giving 105 plates for a 50 mm length. The large pore radius of 65 nm enables baseline resolution of proteins of 0.72, 1.048 and 1.236 MDa in less than 15 min. The short separation time of pCE is attributed to the absence of small pores that restrict protein migration in gels. The pCE separation is applied to the analysis of a stressed pharmaceutical‐grade IgG4 sample, giving unprecedented baseline resolution of monomer, dimer, trimer and tetramer in less than 10 min.
Transgenerational effects of polycyclic aromatic hydrocarbon exposure on sheepshead minnows (Cyprinodon variegatus)
Authors: Jasperse Lindsay , Levin Milton , Rogers Kara , Perkins Christopher , Bosker Thijs , Griffitt Robert J. , Sepúlveda Maria S. , De Guise Sylvain 
Published: December 2018

Abstract

The Deepwater Horizon oil spill resulted in the release of over 640 million L of crude oil into the Gulf of Mexico, affecting over 2000 km of shoreline, including estuaries that serve as important habitats and nurseries for aquatic species. Cyprinodon variegatus (sheepshead minnow) are small-bodied fish that inhabit northern Gulf of Mexico estuaries, are easily adaptable to laboratory conditions, and are commonly used in toxicological assessment studies. The purpose of the present study was to determine the somatic, reproductive, and developmental effects of an environmentally relevant polycyclic aromatic hydrocarbon (PAH) mixture, the oil high-energy water accommodated fraction (HEWAF), on experimentally exposed sheepshead minnow (F0) as well as 2 generations of offspring (F1 and F2) without additional exposure. The F0 generation exposed to HEWAF had increased liver somatic indices, altered egg production, and decreased fertilization. Several developmental endpoints in the F1 were altered by F0 HEWAF exposure. As adults, low HEWAF-exposed F1 females demonstrated decreased weight and length. Both the F1 and F2 generations derived from high HEWAF-exposed F0 had deficits in prey capture compared to control F1 and F2, respectively. Correlations between endpoints and tissue PAHs provide evidence that the physiological effects observed were associated with hydrocarbon exposure. These data demonstrate that PAHs were capable of causing physiological changes in exposed adult sheepshead minnow and transgenerational effects in unexposed offspring, both of which could have population-level consequences. Environ Toxicol Chem 2019;38:638–649. © 2018 SETAC
Prefrontal high gamma during a magnetoencephalographic working memory task
Authors: Carver Frederick W. , Rubinstein Dani Y. , Gerlich Alan H. , Fradkin Samantha I. , Holroyd Tom , Coppola Richard 
Published: December 2018

AbstractIn human electrophysiology research, the high gamma part of the power spectrum (~>60 Hz) is a relatively new area of investigation. Despite a low signal‐to‐noise ratio, evidence exists that it contains significant information about activity in local cortical networks. Here, using magnetoencephalography (MEG), we found high gamma activity when comparing data from an n‐back working memory task to resting data in a large sample of normal volunteers. Initial analysis of power spectra from 0‐back, 2‐back, and rest trials showed three frequency bands exhibiting task‐related differences: alpha, beta, and high gamma. Unlike alpha and beta, the high gamma spectrum was broad, without a peak at a single frequency. In addition, power in high gamma was highest for the 2‐back and lowest during rest, while the opposite pattern occurred in the other bands. Beamformer source localization of each of the three frequency bands revealed a distinct set of sources for high gamma. These included several regions of prefrontal cortex that exhibited greater power when both n‐back conditions were compared to rest. A subset of these regions had more power when the 2‐back was compared to 0‐back, which indicates a role in working memory performance. Our results show that high gamma will be important for understanding cortical processing during cognitive and other tasks. Furthermore, data from human intracortical recordings suggest that high gamma is the aggregate of spiking in local cortical networks, which implies that MEG could serve to bridge experimental modalities by noninvasively observing task‐related modulation of spiking rates.
Understanding hydrological processes in glacierized catchments: Evidence and implications of highly variable isotopic and electrical conductivity data
Authors: Zuecco Giulia , Carturan Luca , De Blasi Fabrizio , Seppi Roberto , Zanoner Thomas , Penna Daniele , Borga Marco , Carton Alberto , Dalla Fontana Giancarlo 
Published: December 2018

AbstractThe spatial and temporal characterization of geochemical tracers over Alpine glacierized catchments is particularly difficult, but fundamental to quantify groundwater, glacier melt, and rain water contribution to stream runoff. In this study, we analysed the spatial and temporal variability of δ2H and electrical conductivity (EC) in various water sources during three ablation seasons in an 8.4‐km2 glacierized catchment in the Italian Alps, in relation to snow cover and hydro‐meteorological conditions. Variations in the daily streamflow range due to melt‐induced runoff events were controlled by maximum daily air temperature and snow covered area in the catchment. Maximum daily streamflow decreased with increasing snow cover, and a threshold relation was found between maximum daily temperature and daily streamflow range. During melt‐induced runoff events, stream water EC decreased due to the contribution of glacier melt water to stream runoff. In this catchment, EC could be used to distinguish the contribution of subglacial flow (identified as an end member, enriched in EC) from glacier melt water to stream runoff, whereas spring water in the study area could not be considered as an end member. The isotopic composition of snow, glacier ice, and melt water was not significantly correlated with the sampling point elevation, and the spatial variability was more likely affected by postdepositional processes. The high spatial and temporal variability in the tracer signature of the end members (subglacial flow, rain water, glacier melt water, and residual winter snow), together with small daily variability in stream water δ2H dynamics, are problematic for the quantification of the contribution of the identified end members to stream runoff, and call for further research, possibly integrated with other natural or artificial tracers.
Responses of soil water dynamic processes and groundwater recharge to irrigation intensity and antecedent moisture in the vadose zone
Authors: Liu Xiuhua , Gao Wande , Sun Shijun , Hu Anyan , He Yi , He ShuaiShuai 
Published: December 2018

AbstractIn this study, a field experiment was conducted to investigate the soil water dynamics and water percolation through the deep vadose zone. A calibrated HYDRUS‐1D model was used to simulate the process of soil water movement and the water budget. Based on the measured volumetric soil water contents, the model was well calibrated and validated. Then, we conducted scenario analyses to determine the combined effects of irrigation amount (IA), antecedent soil moisture (AM), crop evapotranspiration, and deep percolation (DP) in an irrigation event. Four IAs (5, 10, 15, and 20 cm) and three AM conditions (AM‐1, AM‐2, and AM‐3) were controlled in the scenario analyses. The results indicate that according to the Se's (effective saturation) values status and the observed or simulated depth, there could be different conclusions on the influence of DP. Under different IAs in dry (AM‐1) and medium (AM‐2) AM status, DP changed slightly; it was 0.39 and 2.47 cm in AM‐1 and 0.40 and 2.48 cm in AM‐2 for the summer maize and winter wheat crop, respectively; the AM had a crucial contribution to DP. While under the condition of wet AM (AM‐3) or small observation depth, the water inputs could have a significant effect on DP. According to increasing irrigation intensity, the higher values of Se (>0.6) in the whole profile were only displayed between 70 and 300 cm at AM‐1, 70–500 cm at AM‐2, and 70‐below 600 cm at AM‐3, which were gradually extended and moved down with increasing AM. Hence, the IA significantly affected the water percolation at a depth of 200 cm, whereas there was a weak influence at 600 cm except in AM‐3. Furthermore, in the higher values of the Se (>0.65) domain, the correlation between IA and DP was an exponential function and significantly under P < 0.05. In addition, DP began to occur when the soil water content was equal to or greater than 0.75 times that of the field water capacity or the Se > 0.65. When the coarse silt layer became embedded in the silt clay soil profile, it lagged the process of water transport but did not affect permeability in the end.
Parameter sensitivity of automated baseflow separation for snowmelt‐dominated watersheds and new filtering procedure for determining end of snowmelt period
Authors: Voutchkova Denitza D. , Miller Scott N. , Gerow Kenneth G. 
Published: December 2018

AbstractAutomation in baseflow separation procedures allowed fast and convenient baseflow and baseflow index (BF and BFI) estimation for studies including multiple watersheds and covering large spatio‐temporal scales. While most of the existing algorithms are developed and tested extensively for rainfall‐ and baseflow‐dominated systems, little attention is paid on their suitability for snowmelt‐dominated systems. Current publishing practice in regional‐scale studies is to omit BF and BFI uncertainty evaluation or sensitivity analysis. Instead, “standard” and “previously recommended” parameterizations are transferred from rainfall/BF to snowmelt‐dominated systems. We believe that this practice should be abandoned. First, we demonstrate explicitly that the three most popular heuristic automated BF separation methods—Lyne–Hollick and Eckhardt recursive digital filters, and the U.K. Institute of Hydrology smoothed minima method—produce a wide range of annual BF and BFI estimates due to parameter sensitivity during the annual snowmelt period. Then, we propose a solution for cases when BF and BFI calibration is not possible, namely excluding the snowmelt‐dominated period from the analysis. We developed an automated filtering procedure, which divides the hydrograph into pre‐snowbelt, post‐snowmelt, and snowmelt periods. The filter was tested successfully on 218 continuous water years of daily streamflow data for four snowmelt‐dominated headwater watersheds located in Wyoming (60–837 km2). The post‐snowmelt BF and BFI metric can be used for characterizing summer low‐flows for snowmelt‐dominated systems. Our results show that post‐snowmelt BF and BFI sensitivity to filter parameterization is reduced compared with the sensitivity of annual BF and BFI and is similar to the sensitivity levels for rainfall/baseflow systems.
Improving the SWAT forest module for enhancing water resource projections: A case study in the St. Croix River basin
Authors: Yang Qichun , Zhang Xuesong , Almendinger James E. , Huang Maoyi , Leng Guoyong , Zhou Yuyu , Zhao Kaiguang , Asrar Ghassem R. , Li Xia , Qiu Jiali 
Published: December 2018

AbstractInsufficiently calibrated forest parameters of the Soil & Water Assessment Tool (SWAT) may introduce uncertainties to water resource projections in forested watersheds. In this study, we improved SWAT forest parameterization and phosphorus cycling representations to better simulate forest ecosystems in the St. Croix River basin, and we further examined how those improvements affected model projections of streamflow, sediment, and nitrogen export under future climate conditions. Simulations with improved forest parameters substantially reduced model estimates of water, sediment, and nitrogen fluxes relative to those based on default parameters. Differences between improved and default projections can be attributed to the enhanced representation of forest water consumption, nutrient uptake, and protection of soil from erosion. Better representation of forest ecosystems in SWAT contributes to constraining uncertainties in water resource projections. Results of this study highlight the importance of improving SWAT forest ecosystem representations in projecting delivery of water, sediment, and nutrients from land to rivers in response to climate change, particularly for watersheds with large areas of forests. Improved forest parameters and the phosphorus weathering algorithms developed in this study are expected to help enhance future applications of SWAT to investigate hydrological and biogeochemical consequences of climate change.
Ionic Liquids in Biomass Processing
Authors: Amarasekara Ananda S. 
Published: December 2018

AbstractThe ionic liquids have emerged as new solvents and catalysts for processing biomass to value added chemicals and fuels. This review will present the recent developments in applications of ionic liquids in lignocellulosic biomass pretreatments, depolymerization, biodiesel synthesis, dehydration of carbohydrates to renewable feedstock chemicals as well as further transformations of biomass derived feedstocks such as furfural, 5‐hydroxymethylfurfural and levulinic acid to value added chemicals. In addition, the recycling of ionic liquids used in biomass processing is also discussed in the review.
Theoretical Aspects of Ionic Liquids for Soft‐Matter Sciences
Authors: Nakamura Issei , Shock Cameron J. , Eggart Lisa , Gao Tong 
Published: December 2018

AbstractThe thermodynamic and electrochemical properties of ionic liquids produce a broad spectrum of unconventional phenomena both microscopically and macroscopically. However, despite numerous theoretical and experimental studies, the fundamental roles of the relevant interactions such as electrostatic interactions and hydrogen bonding often remain unclear at the molecular level. The complexity of the molecular interactions typically increases when ionic liquids dissolve polymers or polar substances such as water. Accordingly, recent studies have revealed new features of ionic liquids. Further insights into the role of the molecular polarity of ionic liquids are required. This article presents an overview of the important phenomena of ionic liquids concerning soft‐matter sciences based on selected experimental and theoretical studies. We focus on the effect of the dielectric response of ionic liquids to distinguish ionic liquids from common inorganic salts, such as alkali metal halides.
DNA Mining and genealogical information systems: Not just for finding family ethnicity
Authors: O'Leary Daniel E. 
Published: December 2018

SummaryThe primary expected use of DNA and genealogy sites has been their ability to help users find their family, find their ethnicity and to help them connect with distant relatives. In so doing such sites help users to “learn more about themselves.” Such systems have also been proposed to have the broader goals of helping connect mankind and show people how their similarities are greater than their differences. However, the use of DNA and genealogy information recently turned away from just finding family connections, ethnicity and origins. Recently it was announced that the “Golden State Killer” had been caught using information generated from using DNA and consumer genealogical websites.This paper investigates some of the questions and unanticipated consequences raised by this alternative use of these technologies and their impact on individuals, organizations and society. As part of that analysis we analyze some of the immediate consequences on the firm from which the DNA information was gathered, the new emerging approach used by law enforcement, some privacy concerns and provide a network game formulation as a means to model user behavior. Finally, we examine some potential emerging research issues.