bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of σ Receptor Ligands with a Spirocyclic System Connected with a Tetrahydroisoquinoline Moiety via Different Linkers
Authors: Bergkemper Melanie , Schepmann Dirk , Wünsch Bernhard 
Published: December 2020

AbstractWith the aim to develop new σ2 receptor ligands, spirocyclic piperidines or cyclohexanamines with 2‐benzopyran and 2‐benzofuran scaffolds were connected to the 6,7‐dimethoxy‐1,2,3,4‐tetrahydroisoquinoline moiety by variable linkers. In addition to flexible alkyl chains, linkers containing an amide as functional group were synthesized. The 2‐benzopyran and 2‐benzofuran scaffold of the spirocyclic compounds were synthesized from 2‐bromobenzaldehyde. The amide linkers were constructed by acylation of amines with chloroacetyl chloride and subsequent nucleophilic substitution, the alkyl linkers were obtained by LiAlH4 reduction of the corresponding amides. For the development of σ2 receptor ligands, the spirocyclic 2‐benzopyran scaffold is more favorable than the ring‐contracted 2‐benzofuran system. Compounds bearing an alkyl chain as linker generally show higher σ affinity than acyl linkers containing an amide as functional group. A higher σ1 affinity for the cis‐configured cyclohexanamines than for the trans‐configured derivatives was found. The highest σ2 affinity was observed for cis‐configured spiro[[2]benzopyran‐1,1′‐cyclohexan]‐4′‐amine connected to the tetrahydroisoquinoline system by an ethylene spacer (cis‐31, Ki (σ2)=200 nM; the highest σ1 affinity was recorded for the corresponding 2‐benzofuran derivative with a CH2C=O linker (cis‐29, Ki (σ1)=129 nM).
The inheritance and creative design of traditional color scheme based on modern consumer's psychological perception: Taking Chinese traditional decorative pattern's color collocation as an example
Authors: Xu Bing 
Published: December 2020

AbstractColor in traditional decorative patterns is one of the most important characteristics that can not only be easily identified, but also be taken as a specific symbol of one country or nation. As most of the traditional color schemes are based on ancient aesthetics and wisdom, in order to make them more in line with the aesthetic cognition of modern consumers, an innovation of traditional color schemes is very necessary. This article conducted an experiment to test modern consumers' psychological perception towards different traditional color combinations based on PAD three‐dimensional model and SAM measurement scale. Then the computer image recognition technology and mathematical modeling were applied to establish the relationship between different psychological perceptions and traditional color schemes to guide further design. It was found that some colors have a positive effect on consumers' preference, while some others can reduce consumers' preference; certain color combinations convey feelings of joy or warmth; the appropriate use of high saturation and moderate value colors have more attractions for consumers. Based on the results, new combination schemes for traditional colors were presented, so as to realize the creative design of traditional colors based on the psychological perception of modern consumers.
Hydrogen Production from Methanol‐Water Mixture over Immobilized Iridium Complex Catalysts in Vapor‐Phase Flow Reaction
Authors: Yamaguchi Sho , Maegawa Yoshifumi , Fujita Ken‐ichi , Inagaki Shinji 
Published: December 2020

AbstractCO‐free hydrogen production from methanol and water by using transition metal complex catalysts has attracted increasing attention. However, liquid‐phase batch reactions using homogeneous catalysts are impractical for large‐scale operations, owing to the consumption of bases and the use of organic solvents or additives. This study concerns a novel method for continuous hydrogen production from a simple methanol‐water solution under vapor‐phase flow. The reaction is catalyzed by an anionic iridium bipyridonate (Ir‐bpyd) complex immobilized on a periodic mesoporous organosilica. The liquid‐phase batch reaction using homogeneous anionic Ir‐bpyd complex is immediately deactivated, owing to CO2 generation, whereas no catalyst deactivation is observed in the vapor‐phase flow reaction because CO2 is smoothly removed from the catalyst bed, enabling continuous hydrogen production without the addition of a base. Thus, the critical problems pertaining to homogeneous catalysts are overcome.
Numerical study of penetration and distribution of charged particles in the magnetosphere during southward IMF case
Authors: Esmaeili Amin , Kalaee Mohammad Javad , Ikram M. 
Published: December 2020

AbstractThe energetic charged particles penetration in the plasmasphere are carried out using the updated version of 3D Stanford PIC code. We considered slow and fast wind streams to know the penetration of the energetic charged particles (electrons and ions) having different velocities into four regions i.e. cusp, plasmasphere, sunward, and tailward sides. It is observed that the ion penetrations are higher than electrons for solar slow wind streams in the plasmasphere, while it is reverse for the solar fast streams. Also, the results show that the percentage of penetration of the energetic charged particles (both electrons and ions) are the same into the cusp and subsolar point reconnection region. It is different for the higher speed of fast streams; so that the penetrated electrons reached about 10–20 times than penetrated ions. The results show that for the tailward reconnection region, the penetration of ions is 2–3 times higher than the penetration of electrons, but it is the same for the case of higher solar fast speed.
Clustering of loci controlling species differences in male chemical bouquets of sympatric Heliconius butterflies
Authors: Byers Kelsey J. R. P. , Darragh Kathy , Fernanda Garza Sylvia , Abondano Almeida Diana , Warren Ian A. , Rastas Pasi M. A. , Merrill Richard M. , Schulz Stefan , McMillan W. Owen , Jiggins Chris D. 
Published: December 2020

AbstractThe degree to which loci promoting reproductive isolation cluster in the genome—that is, the genetic architecture of reproductive isolation—can influence the tempo and mode of speciation. Tight linkage between these loci can facilitate speciation in the face of gene flow. Pheromones play a role in reproductive isolation in many Lepidoptera species, and the role of endogenously produced compounds as secondary metabolites decreases the likelihood of pleiotropy associated with many barrier loci. Heliconius butterflies use male sex pheromones to both court females (aphrodisiac wing pheromones) and ward off male courtship (male‐transferred antiaphrodisiac genital pheromones), and it is likely that these compounds play a role in reproductive isolation between Heliconius species. Using a set of backcross hybrids between H. melpomene and H. cydno, we investigated the genetic architecture of putative male pheromone compound production. We found a set of 40 significant quantitative trait loci (QTL) representing 33 potential pheromone compounds. QTL clustered significantly on two chromosomes, chromosome 8 for genital compounds and chromosome 20 for wing compounds, and chromosome 20 was enriched for potential pheromone biosynthesis genes. There was minimal overlap between pheromone QTL and known QTL for mate choice and color pattern. Nonetheless, we did detect linkage between a QTL for wing androconial area and optix, a color pattern locus known to play a role in reproductive isolation in these species. This tight clustering of putative pheromone loci might contribute to coincident reproductive isolating barriers, facilitating speciation despite ongoing gene flow.
Design parameters and material‐scale damage evolution of seismic upgraded RC frames by viscoelastic haunch bracing‐dampers
Authors: Dong Yao‐Rong , Xu Zhao‐Dong , Li Qiang‐Qiang , Zhu Chen , He Zhen‐Hua 
Published: December 2020

AbstractTo improve the seismic design of reinforced concrete (RC) frame structures and upgrade existing RC frame structures that have insufficient seismic design, a new suitable seismic upgraded solution, the installation of viscoelastic haunch bracing‐dampers (VHBD) to increase the seismic performance of RC frames, is proposed in this paper. For a comprehensive and systematical research about this new upgraded frames system, a comparative study on the seismic performance between 15 RC frame structure specimens by adding the VHBD with different design parameters and one common RC frame structure specimen is performed under sinusoidal dynamic loading. The specific items of seismic performance mainly include hysteresis performance, load‐bearing capacity, stiffness degradation, energy dissipation capacity, and additional damping ratio, and so on. First, on the basic of this, the material‐scale damage evolution of structure specimens at each stage is qualitatively analyzed. Then, six reasonable material‐scale damage indexes that can describe the damage evolution of the structures precisely are proposed. Finally, a quantitative comparative analysis on the material‐scale damage evolution of structure specimens in the whole process is carried out under different design parameters. The research results indicate that the upgraded scheme (reasonable design parameters of and ) proposed in this study can improve the seismic performance of RC frame structures to the appropriate level required for the design, in terms of load‐bearing capacity, stiffness, energy dissipation capacity, and damping ratio. At the same time, the failure mode of the structures can be well controlled. The occurred damage at beam‐column joints is reasonably transferred to the beam area, which can guarantee the seismic design requirements of “strong joints and weak components.”
Genetic algorithm‐based ground motion selection method matching target distribution of generalized conditional intensity measures
Authors: Ji Kun , Wen Ruizhi , Zong Chengcai , Ren Yefei 
Published: December 2020

AbstractThis study developed an approach for selecting sets of ground motion recordings that match a target conditional multivariate distribution of ground motion intensity measures (IMs). This was achieved by applying a genetic algorithm (GA) that treats IMs of interest of each recording as a “chromosome” and the set of the desired number of recordings as a single “individual.” The fitness function was constructed by measuring the mismatch between the target and the individual's means and variances for all IMs. Then, through Roulette wheel natural parent selection, one‐point chromosome crossover, and individual mutation, new generations of ground motion sets were produced and the process was continued until the optimum combination of recordings was obtained. Example application illustrated that the proposed GA method could efficiently search and find a desired number of recordings to represent the target conditional IMs’ distribution, including the mean and variance. The IMs considered included response spectrum (range: 0.05‐10.0 s), amplitude/intensity‐based IMs, cumulative‐based IMs, and duration. Comparison with existing GCIM selection method indicated that the standard deviation of the recordings selected using the proposed GA method was closer to the target and more stable among replications. The results demonstrated that the proposed GA method represents a promising approach for searching pairs of recordings that could simultaneously match the target conditional distribution of various IMs.
Case Study in 21st Century Ecotoxicology: Using In Vitro Aromatase Inhibition Data to Predict Short-Term In Vivo Responses in Adult Female Fish
Authors: Villeneuve Daniel L. , Blackwell Brett R. , Cavallin Jenna E. , Cheng Wan-Yun , Feifarek David J. , Jensen Kathleen M. , Kahl Michael W. , Milsk Rebecca Y. , Poole Shane T. , Randolph Eric C. , Saari Travis W. , Ankley Gerald T. 
Published: December 2020

Abstract
The present study evaluated whether in vitro measures of aromatase inhibition as inputs into a quantitative adverse outcome pathway (qAOP) construct could effectively predict in vivo effects on 17β-estradiol (E2) and vitellogenin (VTG) concentrations in female fathead minnows. Five chemicals identified as aromatase inhibitors in mammalian-based ToxCast assays were screened for their ability to inhibit fathead minnow aromatase in vitro. Female fathead minnows were then exposed to 3 of those chemicals: letrozole, epoxiconazole, and imazalil in concentration–response (5 concentrations plus control) for 24 h. Consistent with AOP-based expectations, all 3 chemicals caused significant reductions in plasma E2 and hepatic VTG transcription. Characteristic compensatory upregulation of aromatase and follicle-stimulating hormone receptor (fshr) transcripts in the ovary were observed for letrozole but not for the other 2 compounds. Considering the overall patterns of concentration–response and temporal concordance among endpoints, data from the in vivo experiments strengthen confidence in the qualitative relationships outlined by the AOP. Quantitatively, the qAOP model provided predictions that fell within the standard error of measured data for letrozole but not for imazalil and epoxiconazole. However, the inclusion of measured plasma concentrations of the test chemicals as inputs improved model predictions, with all predictions falling within the range of measured values. Results highlight both the utility and limitations of the qAOP and its potential use in 21st century ecotoxicology. Environ Toxicol Chem 2021;40:1155–1170. © 2020 SETAC. This article has been contributed to by US Government employees and their work is in the public domain in the USA.
Abstract
Non‐linear mixed‐effects models for time series forecasting of smart meter demand
Authors: Roach Cameron , Hyndman Rob , Ben Taieb Souhaib 
Published: December 2020

AbstractBuildings are typically equipped with smart meters to measure electricity demand at regular intervals. Smart meter data for a single building have many uses, such as forecasting and assessing overall building performance. However, when data are available from multiple buildings, there are additional applications that are rarely explored. For instance, we can explore how different building characteristics influence energy demand. If each building is treated as a random effect and building characteristics are handled as fixed effects, a mixed‐effects model can be used to estimate how characteristics affect energy usage. In this paper, we demonstrate that producing 1‐day‐ahead demand predictions for 123 commercial office buildings using mixed models can improve forecasting accuracy. We experiment with random intercept, random intercept and slope and non‐linear mixed models. The predictive performance of the mixed‐effects models are tested against naive, linear and non‐linear benchmark models fitted to each building separately. This research justifies using mixed models to improve forecasting accuracy and to quantify changes in energy consumption under different building configuration scenarios.
Regionally diverse astrocyte subtypes and their heterogeneous response to EAE
Authors: Borggrewe Malte , Grit Corien , Vainchtein Ilia D. , Brouwer Nieske , Wesseling Evelyn M. , Laman Jon D. , Eggen Bart J. L. , Kooistra Susanne M. , Boddeke Erik W. G. M. 
Published: December 2020

AbstractAstrocytes fulfil many functions in the central nervous system (CNS), including contribution to the blood brain barrier, synapse formation, and trophic support. In addition, they can mount an inflammatory response and are heterogeneous in morphology and function. To extensively characterize astrocyte subtypes, we FACS‐isolated and gene expression profiled distinct astrocyte subtypes from three central nervous system regions; forebrain, hindbrain and spinal cord. Astrocyte subpopulations were separated based on GLAST/SLC1A3 and ACSA‐2/ATP1B2 cell surface expression. The local brain environment proved key in establishing different transcriptional programs in astrocyte subtypes. Transcriptional differences between subtypes were also apparent in experimental autoimmune encephalomyelitis (EAE) mice, where these astrocyte subtypes showed distinct responses. While gene expression signatures associated with blood–brain barrier maintenance were lost, signatures involved in neuroinflammation and neurotoxicity were increased in spinal cord astrocytes, especially during acute disease stages. In chronic stages of EAE, this reactive astrocyte signature was slightly decreased, while obtaining a more proliferative profile, which might be relevant for glia scar formation and tissue regeneration. Morphological heterogeneity of astrocytes previously indicated the presence of astrocyte subtypes, and here we show diversity based on transcriptome variation associated with brain regions and differential responsiveness to a neuroinflammatory insult (EAE).
Global fund: Analyzing 10 Years of bridging health inequalities
Authors: Olufadewa Isaac Iyinoluwa , Adesina Miracle Ayomikun , Oladele Ruth Ifeoluwa , Oladoye Moyinoluwa Joshua , Eke Nnenne Florence‐Ayambem 
Published: December 2020

AbstractThe Global Fund is a non‐profit organization founded by Bill Gates, Melinda Gates, Kofi Annan, Amir Attaran, and Jeffrey Sachs on the 28th January, 2002. Each year, about US$ 4 billion is invested to support programs and organizations led by local experts in various communities towards developing strategies and ways in which these three (HIV/AIDS, Malaria and Tuberculosis) diseases could be fought. The Global Fund has supported various innovative strategies used in tackling these infectious diseases. It is also worthy of note that 38 million lives have been saved through the Global Funds Partnership resulting in a 50% decline in mortality rate caused by tuberculosis, AIDS and Malaria in these reached countries. However, the Global Fund is not without its challenges as there has been lack of fund commitment from the G8 countries who instituted the idea in the first place. Another limitation being experienced is the poor risk management that has resulted in discrepancies of over US$4 million discovered in the Global Fund grants received by Nigeria as of 2016. This study discusses the current state of the Global Fund and suggests recommendations to policymakers that could be instrumental in strengthening health systems and achieving increased impact.
The role of hydrological processes in ecosystem conservation: Comprehensive water management for a wetland in an arid climate
Authors: Lomeli‐Banda Marcelo A. , Ramírez‐Hernández Jorge , Rodríguez‐Burgueño Jesús Eliana , Salazar‐Briones Carlos 
Published: December 2020

AbstractWater agreements between Mexico and the United States have been crucial to preserving and restoring the Colorado River Delta's wetlands. Nowadays, increased water demand and climate change in the Colorado River Basin could threaten the conservation of the Ciénega de Santa Clara, a 4709 ha coastal wetland at the Sonoran Desert's edge. The international Ramsar convention recognizes the Ciénega de Santa Clara ecosystem for providing vital ecological services, including habitat for endemic, endangered, and migratory species. The hydrology of this wetland has not been completely understood since the 2010–2011 trial run of the Yuma Desalting Plant. Therefore, this study was conducted to identify and quantify the hydrological elements essential for the conservation of this wetland, under three scenarios: (a) normal inflow conditions of the water source – the Wellton‐Mohawk canal; (b) inflow reductions, and; (c) an increase of temperature due to global warming. Water and mass balances estimates were conducted every month during 2014–2015; in situ measurements of inflows were carried out on Southern International Boundary in Wellton‐Mohawk canal, the Riíto Drain, groundwater, and precipitation: evapotranspiration outputs were estimated using local weather stations and Penman‐Monteith formulations. Temperature increases were based on the Intergovernmental Panel on Climate Change projections for the next 100 years. Results showed disconnection in the surface flow of water from the wetland to the adjacent Gulf of California. This behaviour was observed mainly in the summer months in the three scenarios. The disconnections reduced the wetland area and water storage. The hydrological functionality of the Ciénega de Santa Clara wetland depends on the water supply from the Wellton‐Mohawk canal, with a minimum continuous discharge of 5.10 m3 s−1 during the summer months.
Regional crop water use assessment using Landsat‐derived evapotranspiration
Authors: Bawa Arun , Senay Gabriel B. , Kumar Sandeep 
Published: December 2020

AbstractReliable information on water use and availability at basin and field scales are important to ensure the optimized constructive uses of available water resources. This study was conducted with the specific objective to estimate Landsat‐based actual evapotranspiration (ETa) using the Operational Simplified Surface Energy Balance (SSEBop) model across the state of South Dakota (SD), USA for the 1986–2018 (33‐year) period. Validated ETa estimations (r2 = 0.91, PBIAS = −4%, and %RMSE = 11.8%) were further used to understand the crop water‐use characteristics and existing historic mono‐directional (increasing/decreasing) trends over the eastern (ESD) and western (WSD) regions of SD. The crop water‐use characteristics indicated that the annual cropland water uses across the ESD and WSD were more or less met by the precipitation amounts in the area. The ample water supply and distribution have led to high rainfed and low percentage of irrigated cropland (~2.5%) in the state. The WSD faced greater crop‐water use reductions than the ESD during drought periods. The landscape ETa responses across the state were found to be more sensitive than precipitation for the drought impact assessments. The Mann Kendall trend analysis revealed the absence of a significant trend (p > 0.05) in annual ETa at a regional scale due to the varying weather conditions in the state. However, about 12% and 9% cropland areas in the ESD and WSD, respectively, revealed a significant mono‐directional trend at pixel scale ETa. Most of the pixels under significant trend showed an increasing trend that can be explained by the shift in agricultural practices, increased irrigated cropland area, higher productions, moisture regime shifts, and decreased risk of farming in the dry areas. The decreasing trend pixels were clustered in mid‐eastern SD and could be the result of dynamic conversion of wetlands to croplands and decreased irrigation practices in the region. This study also demonstrates the tremendous potential and robustness of the SSEBop model, Landsat imagery, and remote sensing‐based ETa modelling approaches in estimating consistent spatially distributed evapotranspiration.