bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure–Affinity Relationships of Fluorinated Spirocyclic σ2 Receptor Ligands with an Exocyclic Benzylamino Moiety
Authors: Bergkemper Melanie , Kronenberg Elisabeth , Schepmann Dirk , Ludwig Friedrich‐Alexander , Brust Peter , Wünsch Bernhard 
Published: June 2019

AbstractTo identify a potent and selective σ2 receptor ligand appropriate for development as a positron emission tomography (PET) tracer, several fluorinated analogues of the spirocyclic lead compounds trans‐ and cis‐6 (N‐(2,4‐dimethylbenzyl)‐3‐methoxy‐3,4‐dihydrospiro[[2]benzopyran‐1,1′‐cyclohexan]‐4′‐amine) were designed. In multistep syntheses, a fluorine atom was introduced directly or as a 2‐fluoroethoxy moiety on the 2‐benzopyran scaffold, on the dimethylbenzylamino moiety, or on the central amino moiety. The σ1 and σ2 receptor affinity was determined in receptor binding studies with radioligands. With respect to σ2 affinity and σ2/σ1 selectivity, cis‐N‐(2,4‐dimethylbenzyl)‐5‐fluoro‐3‐methoxy‐3,4‐dihydrospiro[[2]benzopyran‐1,1′‐cyclohexan]‐4′‐amine (cis‐15 c, Ki(σ2)=51 nm) and cis‐N‐[4‐(fluoromethyl)‐2‐methylbenzyl]‐3‐methoxy‐3,4‐dihydrospiro[[2]benzopyran‐1,1′‐cyclohexan]‐4′‐amine (cis‐28 e, Ki(σ2)=57 nm) are the most promising ligands. The combination of both structural elements in one molecule, cis‐N‐[4‐(fluoromethyl)‐2‐methylbenzyl]‐5‐fluoro‐3‐methoxy‐3,4‐dihydrospiro[[2]benzopyran‐1,1′‐cyclohexan]‐4′‐amine (cis‐28 c: Ki(σ2)=874 nm), resulted in decreased σ2 and σ1 affinity. Methylation of secondary amines led to three tertiary methylamines with moderate affinity for both σ receptor subtypes.
Physiology of Electrolyte Transport in the Gut: Implications for Disease
Authors: Rao Mrinalini C. 
Published: June 2019

ABSTRACTWe now have an increased understanding of the genetics, cell biology, and physiology of electrolyte transport processes in the mammalian intestine, due to the availability of sophisticated methodologies ranging from genome wide association studies to CRISPR‐CAS technology, stem cell‐derived organoids, 3D microscopy, electron cryomicroscopy, single cell RNA sequencing, transgenic methodologies, and tools to manipulate cellular processes at a molecular level. This knowledge has simultaneously underscored the complexity of biological systems and the interdependence of multiple regulatory systems. In addition to the plethora of mammalian neurohumoral factors and their cross talk, advances in pyrosequencing and metagenomic analyses have highlighted the relevance of the microbiome to intestinal regulation. This article provides an overview of our current understanding of electrolyte transport processes in the small and large intestine, their regulation in health and how dysregulation at multiple levels can result in disease. Intestinal electrolyte transport is a balance of ion secretory and ion absorptive processes, all exquisitely dependent on the basolateral Na+/K+ATPase; when this balance goes awry, it can result in diarrhea or in constipation. The key transporters involved in secretion are the apical membrane Cl−channels and the basolateral Na+‐K+‐2Cl−cotransporter, NKCC1 and K+channels. Absorption chiefly involves apical membrane Na+/H+exchangers and Cl−/HCO3−exchangers in the small intestine and proximal colon and Na+channels in the distal colon. Key examples of our current understanding of infectious, inflammatory, and genetic diarrheal diseases and of constipation are provided. © 2019 American Physiological Society.Compr Physiol9:947‐1023, 2019.
CO2‐Tonnagen und Wärmespeichereffekte über den Lebenszyklus von Gebäuden
Authors: Pohl Sebastian , Schöttner Robin 
Published: June 2019

AbstractThe study outlined in this article was intended to quantify the lifecycle assessment effects resulting from the different thermal storage capacities of the market‐relevant construction methods masonry, reinforced concrete and timber frame. Independently reviewed and verified life cycle assessments of representative model homes were the starting point of this study. But the findings of available computer simulations concerning the thermal behaviour of the model homes suggest that different thermal storage capacities of construction materials induce significant deviations of the heating demand, which should also precipitate significant lifecycle assessment differences – because the overall lifecycle assessment results of a building are generally substantially determined by the energy demand during its use phase.
Setting expected timelines of fished population recovery for the adaptive management of a marine protected area network
Authors: Kaplan Katherine A. , Yamane Lauren , Botsford Louis W. , Baskett Marissa L. , Hastings Alan , Worden Sara , White J. Wilson 
Published: June 2019

AbstractAdaptive management of marine protected areas (MPAs) requires developing methods to evaluate whether monitoring data indicate that they are performing as expected. Modeling the expected responses of targeted species to an MPA network, with a clear timeline for those expectations, can aid in the development of a monitoring program that efficiently evaluates expectations over appropriate time frames. Here, we describe the expected trajectories in abundance and biomass following MPA implementation for populations of 19 nearshore fishery species in California. To capture the process of filling in the age structure truncated by fishing, we used age‐structured population models with stochastic larval recruitment to predict responses to MPA implementation. We implemented both demographically open (high larval immigration) and closed (high self‐recruitment) populations to model the range of possible trajectories as they depend on recruitment dynamics. From these simulations, we quantified the time scales over which anticipated increases in abundance and biomass inside MPAs would become statistically detectable. Predicted population biomass responses range from little change, for species with low fishing rates, to increasing by a factor of nearly seven, for species with high fishing rates before MPA establishment. Increases in biomass following MPA implementation are usually greater in both magnitude and statistical detectability than increases in abundance. For most species, increases in abundance would not begin to become detectable for at least 10 years after implementation. Overall, these results inform potential indicator metrics (biomass), potential indicator species (those with a high fishing : natural mortality ratio), and time frame (>10 yr) for MPA monitoring assessment as part of the adaptive management process.
Refinement of eDNA as an early monitoring tool at the landscape‐level: study design considerations
Authors: Mize E. L. , Erickson R. A. , Merkes C. M. , Berndt N. , Bockrath K. , Credico J. , Grueneis N. , Merry J. , Mosel K. , Tuttle‐Lau M. , Von Ruden K. , Woiak Z. , Amberg J. J. , Baerwaldt K. , Finney S. , Monroe E. 
Published: June 2019

AbstractNatural resource managers use data on the spatial range of species to guide management decisions. These data come from survey or monitoring efforts that use a wide variety of tools. Environmental DNA (eDNA) is a surveillance tool that uses genetic markers for detecting species and holds potential as a tool for large‐scale monitoring programs. Two challenges of eDNA‐based studies are uncertainties created by imperfect capture of eDNA in collection samples (e.g., water field samples) and imperfect detection of eDNA using molecular methods (e.g., quantitative PCR). Occurrence models can be used to address these challenges, thus we use an occurrence model to address two objectives: first, to determine how many samples were required to detect species using eDNA; second, to examine when and where to take samples. We collected water samples from three different habitat types in the Upper Mississippi River when both Bighead Carp and Silver Carp were known to be present based on telemetry detections. Each habitat type (backwater, tributary, and impoundment) was sampled during April, May, and November. Detections of eDNA for both species varied across sites and months, but were generally low, 0–19.3% of samples were positive for eDNA. Overall, we found that eDNA‐based sampling holds promise to be a powerful monitoring tool for resource managers; however, limitations of eDNA‐based sampling include different biological and ecological characteristics of target species such as seasonal habitat usage patterns as well as aspects of different physical environments that impact the implementation of these methods such as water temperature.
Ultraconserved element (UCE) probe set design: Base genome and initial design parameters critical for optimization
Authors: Gustafson Grey T. , Alexander Alana , Sproul John S. , Pflug James M. , Maddison David R. , Short Andrew E. Z. 
Published: June 2019

AbstractTargeted capture and enrichment approaches have proven effective for phylogenetic study. Ultraconserved elements (UCEs) in particular have exhibited great utility for phylogenomic analyses, with the software package phyluce being among the most utilized pipelines for UCE phylogenomics, including probe design. Despite the success of UCEs, it is becoming increasing apparent that diverse lineages require probe sets tailored to focal taxa in order to improve locus recovery. However, factors affecting probe design and methods for optimizing probe sets to focal taxa remain underexplored. Here, we use newly available beetle (Coleoptera) genomic resources to investigate factors affecting UCE probe set design using phyluce. In particular, we explore the effects of stringency during initial design steps, as well as base genome choice on resulting probe sets and locus recovery. We found that both base genome choice and initial bait design stringency parameters greatly alter the number of resultant probes included in final probe sets and strongly affect the number of loci detected and recovered during in silico testing of these probe sets. In addition, we identify attributes of base genomes that correlated with high performance in probe design. Ultimately, we provide a recommended workflow for using Phyluce to design an optimized UCE probe set that will work across a targeted lineage, and use our findings to develop a new, open‐source UCE probe set for beetles of the suborder Adephaga.
Quantifying carbon and species dynamics under different fire regimes in a southeastern U.S. pineland
Authors: Flanagan Steven A. , Bhotika Smriti , Hawley Christie , Starr Gregory , Wiesner Susanne , Hiers J. Kevin , O'Brien Joseph J. , Goodrick Scott , Callaham Mac A. , Scheller Robert M. , Klepzig Kier D. , Taylor R. Scott , Loudermilk E. Louise 
Published: June 2019

AbstractForests have a prominent role in carbon sequestration and storage. Climate change and anthropogenic forcing have altered the dominant characteristics of some forested ecosystems through changes to their disturbance regimes, particularly fire. Ecosystems that historically burned frequently, like pinelands in the southeastern United States, risk changes in their structure and function when the fire regime they require is altered. Although the carbon storage potential in an unburned southeastern U.S. forest would be larger, this scenario is unrealistic due to the likelihood of wildfire. Additionally, fire exclusion can have negative consequences on these forests health, biodiversity, and species endemism. There is a need, specifically for the southeast, to estimate carbon and species dynamics based on the differences between various fire regimes, and particularly the differences between prescribed fire and wildfire. These are important factors to consider given that prescribed fire is a common tool used in the southeast, and wildfires are ever more present. Field data from an experimentalPinus palustris(longleaf pine) forest of southwest Georgia were used to parametrize the forest landscape modelLANDIS‐II. The model simulated how carbon and species dynamics differ under a fire exclusion, a prescribed fire, and multiple wildfire scenarios. All scenarios except fire exclusion resulted in net emissions to the atmosphere, but prescribed fire produced the least carbon emissions from fire and maintained the most stable aboveground biomass compared to wildfire scenarios. Removing fire for approximately a century was necessary to obtain an average stand‐level biomass greater than that of prescribed fire and net emissions less than that of prescribed fire. The prescribed fire scenario produced a longleaf pine‐dominated forest, the exclusion scenario converted to predominantly oak speciesQuercus virginiana(live oak),Q. stellata(post oak), andQ. margaretta(sand post oak), while scenarios with intermediate wildfire regimes supported a mix of other fire‐facilitator hardwoods and pine species, such asQ. incana(bluejack oak) andPinus elliotti(slash pine). Overall, this study supports prescribed fire regimes in southeastern U.S. pinelands to both minimize carbon emissions and preserve native biodiversity.
Enhancement of Lipase CAL‐A Selectivity by Protein Engineering for the Hydrolysis of Erucic Acid from Crambe Oil
Authors: Oroz‐Guinea Isabel , Zorn Katja , Bornscheuer Uwe T. 
Published: June 2019

AbstractThe aim of this study is to pursue the identification and characterization of different CAL‐A variants displaying higher specificity toward erucic acid than CAL‐A wild type (wt). A careful analysis of the data generated from previously created site‐directed saturation libraries reveals several variants that display a higher preference for the hydrolysis of p‐nitrophenyl (pNP)‐erucate over pNP‐oleate than the wt. The best three candidates (CAL‐A V238D, V238Y, and V286N) are applied in biocatalysis using both Crambe oil and ethyl ester derivatives. When acting on Crambe oil, these CAL‐A variants are as efficient as CAL‐A wt in terms of C22:1 enrichment and product recovery independently of the temperature (enrichment and recovery values between 70–76% and 67–79% at 37 °C, and between 71–73% and 61–75% at 50 °C). In contrast, hydrolysis of Crambe ethyl esters leads to substantially increased accumulations of C22:1 and recovery values (V238Y: 78% enrichment and 92% recovery; V286N: 83% enrichment and 91% recovery) when using CAL‐A V238Y and CAL‐A V286N compared to CAL‐A wt (78% enrichment, 60% recovery) in the free fatty acid fraction.Practical Applications: This study describes the enhancement of lipase CAL‐A selectivity for the isolation and recovery of erucic acid (C22:1) from plant oil or its ethyl ester derivatives. Hence, this approach could represent a more eco‐friendly alternative for its application in processes where the erucic acid is used as building block, such as the production of surfactants or polymers.
Diamond Electrodes for High Sensitivity Mercury Detection in the Aquatic Environment: Influence of Surface Preparation and Gold Nanoparticle Activity
Authors: McLaughlin Maeve H. S. , Pakpour‐Tabrizi Alexander C. , Jackman Richard B. 
Published: June 2019

AbstractThis work compares polished and unpolished boron doped diamond (BDD) electrodes decorated with two sizes of gold nanoparticles (AuNPs) for use as robust mercury sensors in aquatic environments. The size of the catalytically active AuNPs on the electrode surfaces was demonstrated to have a less significant effect on the sensitivity for mercury detection than the surface preparation of the BDD. The lowest limits of detection were achieved with the polished BDD electrodes, which both detected mercury at a concentration of 1 pM, six orders of magnitude greater sensitivity than the lowest detection limit of 5 μM achieved with an unpolished BDD electrode, and high in comparison with other reported electrode systems.
The Electrochemical Oxidation of Sulphite on Gold Electrodes
Authors: Cai Xiaosheng , Lin Chuhong , Foord John S. , Compton Richard G. 
Published: June 2019

AbstractThe electro‐oxidation of sulphite is studied in acid media on gold macroelectrodes and Au particle array modified boron doped diamond electrodes. The sulphite oxidation proceeds through a one‐electron transfer process followed by a chemical step of second order (EC2 mechanism), as evidenced by experimental voltammetry and digital simulation for both gold macroelectrodes and gold particle modified substrates. The diffusion coefficient of sulphite is calculated consistently for both cases at about 4×10−9 m2 s−1, with the reverse peak behaviour concentration dependent. The arrays are made by electrodeposition and show a morphological transition from a quasi‐spherical to a star shape as the growth time of the particles increases. Kinetic parameters inferred from the electro‐oxidation at the macroelectrode can be successfully applied to model the gold particle modified electrode data to confirm the EC2 mechanism, whilst recognising the overlapping diffusion layers of adjacent gold particles.
Tuna Consumption, Mercury Exposure, and Knowledge about Mercury Exposure Risk from Tuna Consumption in University Students
Authors: Murata Yasuhiko , Finkelstein Doreen B. , Lamborg Carl H. , Finkelstein Myra E. 
Published: June 2019

Abstract
We examined the relationships among tuna consumption, hair mercury levels, and knowledge of mercury exposure risk from tuna consumption in university students that were offered tuna daily at university-run dining halls. Hair total mercury levels in tuna consumers were higher than those in non-tuna consumers (average = 0.466 µg/g ± 0.328 standard deviation [SD], n = 20 vs 0.110 µg/g ± 0.105 SD, n = 33, respectively; p &lt; 0.0001, Mann–Whitney U test), with tuna eaters exhibiting a positive relationship between self-reported tuna consumption at dining halls and hair mercury levels (R2 = 0.868, p &lt; 0.0001, n = 17, linear regression). For all tuna eaters surveyed, more than half (54%) self-reported eating ≥3 tuna meals/wk, potentially exceeding the US Environmental Protection Agency's reference dose for methylmercury of 0.1 µg/kg body weight/d. Seven percent of study participants reported they consumed &gt;20 tuna meals/wk, which was related to hair mercury levels &gt;1 µg/g, a level of concern. Study participants had an overall lack of knowledge and confidence in their knowledge about mercury exposure risk from tuna consumption, with &gt;99% of participants reporting low knowledge and low confidence in survey answers. Our study highlights the importance of education about the risks of tuna consumption, particularly in institutional settings where individuals have unlimited access to tuna products. Environ Toxicol Chem 2019;38:1988–1994. © 2019 SETAC.
Abstract
University students were served tuna daily at dining hall facilities, and their hair mercury concentrations were positively related to the number of tuna meals eaten/wk. The majority (&gt;99%) of students had a lack of knowledge with respect to mercury exposure risk from tuna consumption.
Coupled Application of Antioxidant Defense Response and Embryo Development in Amphipod Crustaceans in the Assessment of Sediment Toxicity
Authors: Berezina Nadezhda A. , Lehtonen Kari K. , Ahvo Aino 
Published: June 2019

Abstract
Survival rate, frequency of malformed embryos, and antioxidant defense system responses in the benthic amphipod Gmelinoides fasciatus from the Baltic Sea were measured to examine the effects of toxic sediments, and to assess the usefulness of these endpoints in sediment toxicity biotesting. A highly contaminated sediment sample from the Baltic Sea was diluted with sediment from a clean site to come up with a series of 5 test sediments with dilutions from 1:32 to 1:1024, and the reference sediment. The 1:32 dilution of the test sediment was analyzed for organotins (2862 µg tin [Sn] kg dry wt –1), polycyclic aromatic hydrocarbons (6064 µg kg dry wt –1), and selected trace metals (e.g., copper 352 mg kg dry wt –1). The survival rate of G. fasciatus (10-d toxicity test) was 100% in the reference and 1:1024 treatments, and began to decline from the 1:256 dilution onward. In a 28-d experiment, various types of morphological malformations were observed in 11 to 80% of the amphipod embryos in the 1:64, 1:128, and 1:256 dilutions, with only &lt;5% in the reference treatment. Also, elevated activities in the antioxidant defense system enzymes glutathione S-transferase and catalase were observed in amphipods exposed to the contaminated sediments compared with the reference treatment, with responses at lower contamination levels compared with the appearance of malformations in the embryos. The results obtained illustrate the effectiveness of the combined application of embryonic malformations and antioxidant defense system biomarkers in amphipods in the assessment of sediment toxicity, and potentially also of sublethal effects of chemical contamination in aquatic ecosystems. Environ Toxicol Chem 2019;38:2020–2031. © 2019 SETAC.
A rapid method of screening ceramic artefacts to reject unlikely hypotheses of provenance
Authors: Saiano Filippo , Pantani Ottorino‐Luca , Scalenghe Riccardo 
Published: June 2019

AbstractThis study was aimed at testing a cost‐effective method based on comparing the rare earth element patterns in artefacts of known origin with patterns of potential raw materials, thus allowing the restriction/exclusion of working hypotheses on provenance, and consequently a better focus of research funding. The method targets ceramics/materials of terrigenous origin. Lanthanoids and yttrium patterns were determined in 26 wine amphorae that had a well‐established geographical origin from the Nuovo Mercato Testaccio in Rome, and these patterns were compared to plausible terrigenous materials from various ancient Roman regions. The point was not to pinpoint the origins of the material, but rather to rule out possible areas of origin. On both a national and a regional scale, we were able to exclude some regions of origin for these amphorae that would otherwise have been largely plausible. This method does not require sampling from already known kiln/extraction sites. Moreover, if maps of all rare earth elements in soils become available on a regional scale, it could be possible to obtain a level of discriminatory detail in the range of a few tens of kilometres.
Longitudinal associations between white matter maturation and cognitive development across early childhood
Authors: Dai Xiongtao , Hadjipantelis Pantelis , Wang Jane‐Ling , Deoni Sean C. L. , Müller Hans‐Georg 
Published: June 2019

AbstractFrom birth to 5 years of age, brain structure matures and evolves alongside emerging cognitive and behavioral abilities. In relating concurrent cognitive functioning and measures of brain structure, a major challenge that has impeded prior investigation of their time‐dynamic relationships is the sparse and irregular nature of most longitudinal neuroimaging data. We demonstrate how this problem can be addressed by applying functional concurrent regression models (FCRMs) to longitudinal cognitive and neuroimaging data. The application of FCRM in neuroimaging is illustrated with longitudinal neuroimaging and cognitive data acquired from a large cohort (n= 210) of healthy children, 2–48 months of age. Quantifying white matter myelination by using myelin water fraction (MWF) as imaging metric derived from MRI scans, application of this methodology reveals an early period (200–500 days) during which whole brain and regional white matter structure, as quantified by MWF, is positively associated with cognitive ability, while we found no such association for whole brain white matter volume. Adjusting for baseline covariates including socioeconomic status as measured by maternal education (SES‐ME), infant feeding practice, gender, and birth weight further reveals an increasing association between SES‐ME and cognitive development with child age. These results shed new light on the emerging patterns of brain and cognitive development, indicating that FCRM provides a useful tool for investigating these evolving relationships.